ライフサイエンスコーパス: ligand-binding pocket

1 ce and reposition a conserved element of the ligand binding pocket.

2 o hydrophobic residues that form the peptide ligand binding pocket.

3 ct of a combination of a few residues in the ligand binding pocket.

4 used only at selected buried residues of the ligand binding pocket.

5 does not depend on the affinity state of the ligand binding pocket.

6 suggesting that this region may be part of a ligand binding pocket.

7 y different positioning and structure of the ligand binding pocket.

8 obic interactions or both to form a U-shaped ligand binding pocket.

9 his position that are accommodated by the PR ligand binding pocket.

10 it atop four amino acids that shield the CAR ligand binding pocket.

11 large dimerization interface and a small CAR ligand binding pocket.

12 ured that their interaction was not with the ligand binding pocket.

13 ght about by alterations of the shape of the ligand binding pocket.

14 pharmacophore binding site in the beta(2)AR ligand binding pocket.

15 oglobin, suggesting an unhindered and apolar ligand binding pocket.

16 accommodates one molecule of THC within its ligand binding pocket.

17 vated GPCRs and forms a critical part of the ligand binding pocket.

18 he binding conformation of Compound-1 in the ligand binding pocket.

19 the adhesins clustered around the predicted ligand-binding pocket.

20 of 23 ordered lipids intercalates inside the ligand-binding pocket.

21 ional coupling of this surface to the native ligand-binding pocket.

22 and which can be used to predict the likely ligand-binding pocket.

23 tion of the bound phosphate group within the ligand-binding pocket.

24 occupying different regions of the receptor ligand-binding pocket.

25 ent with PA-PhoQ binding metal in a specific ligand-binding pocket.

26 her monomer and with the DHT molecule in the ligand-binding pocket.

27 pulate the architecture of the extracellular ligand-binding pocket.

28 the sGC heme has a large hydrophobic distal ligand-binding pocket.

29 ies produced by protein residues forming the ligand-binding pocket.

30 ands induce in the immediate vicinity of the ligand-binding pocket.

31 litazone showed that binding occurred in the ligand-binding pocket.

32 ytic cysteine is no longer positioned in the ligand-binding pocket.

33 tes in both subunits, which may constitute a ligand-binding pocket.

34 h located on helix 11 that forms part of the ligand-binding pocket.

35 e different points of interaction within the ligand-binding pocket.

36 nd promote access of ghrelin to the receptor ligand-binding pocket.

37 gand and a conserved aromatic residue in the ligand-binding pocket.

38 s an active conformation and exhibits a deep ligand-binding pocket.

39 rounding amino acid residues in the receptor ligand-binding pocket.

40 and AIIB2, it appeared to lie closer to the ligand-binding pocket.

41 signaling from occupation of the orthosteric ligand-binding pocket.

42 analysis of the SBA compounds into the LPA2 ligand-binding pocket.

43 ants displayed disruptions in and around the ligand-binding pocket.

44 2D were mapped to a single loop in the NKG2D ligand-binding pocket.

45 ic ligands indicate distinct features of the ligand binding pockets.

46 fields, are inherently suitable to classify ligand-binding pockets.

47 erfaces is a major route to the formation of ligand-binding pockets.

48 cavities within protein structures, known as ligand-binding pockets.

49 sitions, and shows the crowded nature of the ligand-binding pockets.

50 s, discovering each to contain four putative ligand-binding pockets.

51 all distant from the interfaces and outside ligand-binding pockets.

52 is revealed 10 binding "hot spots", 4 in the ligand-binding pocket, 2 in the coactivator-binding regi

53 erved glutamine residue 159 in the predicted ligand-binding pocket abrogates the binding of the SabA

54 domains predicts that these cysteines form a ligand-binding pocket, allowing for the possibility of d

55 DHR38 reveals the absence of both a classic ligand binding pocket and coactivator binding site, feat

56 ent ERalpha antagonists bind in the receptor ligand binding pocket and compete for binding with estro

57 states, but the allosteric link between the ligand binding pocket and cytoplasmic surface remains po

58 ticlopride reveals important features of the ligand binding pocket and extracellular loops.

59 ion experiments to map the BRPF1 bromodomain ligand binding pocket and identified key residues respon

60 im molecules are observed within the defined ligand binding pocket and likely underlie the high poten

61 llosteric network that traverses the protein ligand binding pocket and links these two elements to di

62 h 5' substituents should fit poorly into the ligand binding pocket and perhaps behave as antagonists.

63 ly E75 nuclear receptor contains heme in its ligand binding pocket and that the oxidation state of th

64 ssion of empty (nonhydrated) cavities in the ligand binding pocket and the center of the receptor, wh

65 ve antagonists bind directly to the integrin ligand binding pocket and thus disrupt the ligand-recept

66 required mutations were located outside the ligand binding pocket and yet exerted important action o

67 l mutations, four of them were not in the ER ligand binding pocket and yet exerted important action o

68 nce analysis revealed different features for ligand binding pockets and orthosteric and allosteric si

69 allosteric network that connects the buried ligand-binding pocket and a solvent-exposed coregulator

70 cluding a 53% reduction in the volume of the ligand-binding pocket and an increase in the surface are

71 urred through sequence variation both at the ligand-binding pocket and at loops near the dimerization

72 ture (Protein Data Bank ID code 4GRV) in the ligand-binding pocket and by the presence of the amphipa

73 le, unique orientation within the receptor's ligand-binding pocket and contacts the AF-2 helix.

74 ct to the wild-type protein, it had a larger ligand-binding pocket and displayed movement of a loop (

75 Thus 9cRA binding stabilized the ligand-binding pocket and had allosteric effects on the

76 This loop defines the entrance of the ligand-binding pocket and is stabilized by two disulphid

77 hrine), causes conformational changes to the ligand-binding pocket and neighboring helices.

78 dies confirmed COH29 binding to the proposed ligand-binding pocket and offered evidence for assembly

79 unveil a compact PAS domain with a potential ligand-binding pocket and reinforce the view that the PA

80 his conformation, wherein W72 flips into the ligand-binding pocket and renders the protein incapable

81 vealed their unique orientations in the SHBG ligand-binding pocket and suggested opportunities for th

82 is strictly dependent on an intact receptor ligand-binding pocket and that FES binds to ERalpha with

83 and hydrogen-bonding network of water in the ligand-binding pocket and the contribution of protein re

84 ally, an extensive polar network between the ligand-binding pocket and the cytoplasmic domains appear

85 s A G-protein-coupled receptors with a large ligand-binding pocket and the first transmembrane helix

86 f distinct connecting mechanisms between the ligand-binding pocket and the G-protein-binding site in

87 h enough detail to enable detection of their ligand-binding pockets and suggest that cryo-EM could pl

88 major rearrangement of the C-loop within the ligand binding pocket, and perhaps other regions includi

89 major rearrangement of the C-loop within the ligand binding pocket, and the disruption of a salt brid

90 cavity adjacent to the previously identified ligand binding pocket, and the F107W mutation results in

91 s other than those in the headpiece near the ligand-binding pocket, and the alpha- and beta-subunits

92 One LCA binds to the canonical ligand-binding pocket, and the second one, which is not

93 Structure-level analysis showed ligand binding pocket architectures differences in size,

94 The ligand binding pockets are allosterically tuned by monop

95 Five mutations in the ligand-binding pocket are sufficient to increase the aff

96 of protein-ligand interaction sites, namely ligand-binding pockets, around protein-protein interface

97 Residues within the ligand binding pocket as well as distal secondary struct

98 g similarities between PILRalpha and SIGLEC1 ligand binding pockets as well as at least one set of di

99 f base linkages and likely within the native ligand binding pocket at lysine-296.

100 VIP1R with its N-terminus inserting into the ligand binding pocket at the transmembrane bundle of the

101 ydrolyzing enzymes typically harbor a buried ligand-binding pocket at interdomain or intersubunit cle

102 engagement by quercetin of an unanticipated ligand-binding pocket at the dimer interface of IRE1's k

103 the extended conformation, the high affinity ligand binding pocket between domains I and III is disru

104 al solvent molecules exist within the A-site ligand binding pocket; both mediate water-bridged intera

105 rearrangements not only at the bottom of the ligand-binding pocket but also in a key polar network in

106 Androstenol binds within the ligand binding pocket, but unlike many nuclear receptor

107 Y188(5.44) (TMV) was observed away from the ligand-binding pocket, but still necessary for hIP activ

108 nergic receptors that share almost identical ligand-binding pockets, but show notable amino acid sequ

109 strate the relative ease with which the PYR1 ligand-binding pocket can be altered to accommodate new

110 nity, and selectivity, and suggests that the ligand-binding pocket can be thought of as having three

111 e data establish a paradigm in which the USP ligand-binding pocket can productively bind ligand with

112 eptors indicates that the contraction of the ligand-binding pocket caused by the inward motion of hel

113 The ligand-binding pocket comprises 15 side chains from amin

114 a wild type neuronal nAChR ECD and the full ligand binding pocket conferred by two adjacent alpha su

115 r study suggests the existence of an optimal ligand-binding pocket conformation for capsaicin-mediate

116 dentical interactions of T and DHT in the AR ligand binding pocket correlate with similar rates of di

117 One at the ligand-binding pocket determines the relative affinities

118 However, the structure of the ligand-binding pocket does undergo subtle but significan

119 TPBM acts outside of the ER ligand binding pocket, does not act by chelating the zin

120 ve conformation and occupies the orthosteric ligand-binding pocket enabled by a conformational change

121 gle conservative residue substitution in the ligand-binding pocket, ERalpha Met(421) --> ERbeta Ile(3

122 rd helix, P4, projects orthogonally from the ligand-binding pocket, exposing its stem-loop to base pa

123 The apo receptors contain an open ligand-binding pocket flanked by a gate that closes in r

124 Here, we have extended the database of ligand binding pockets for Patch-Surfer to cover diverse

125 The position of the native ligand-binding pocket for prostacyclin as well as other

126 tedly, two Diprovocim molecules bound to the ligand binding pocket formed between two TLR2 ectodomain

127 Leu236 and the H and I beta-strands into the ligand binding pocket formerly occupied by CO.

128 y ribosomal proteins, similar small molecule ligand binding pocket geometries, and many constellation

129 hat a methionine and a lysine residue in the ligand binding pocket (GluN2D-Met763/Lys766, GluN2C-Met7

130 We found that the ligand-binding pockets had much higher conservation than

131 specific segment(s) that define the receptor ligand-binding pocket have produced less than definitive

132 ncluded those located in the vicinity of the ligand-binding pocket (helices H3, H5, and strands S1, S

133 a rearrangement of a novel region of the VDR ligand binding pocket, helix H6.

134 lmS ribozyme with a mutation distal from the ligand-binding pocket highlights a nucleotide critical t

135 receptor activation within the region of the ligand-binding pocket, identifying transmembrane residue

136 To identify the ligand binding pocket in the receptor for complement fac

137 A comparative analysis of ligand binding pockets in chemokine receptors is present

138 ubtle backbone conformational changes in the ligand-binding pocket in determining the magnitude of ag

139 r, molecular interactions that stabilize the ligand-binding pocket in its permissive conformation, an

140 The hydrophobic ligand-binding pocket in mK2Pg, consisting primarily of

141 ly different binding poses but stabilize the ligand-binding pocket in nearly identical permissive con

142 h a residue near the entrance of a potential ligand-binding pocket in TFL1, but not in FT.

143 N termini of the dimer, and a large flexible ligand-binding pocket in the C-terminal domain.

144 the potential produced by the protein in the ligand-binding pocket in the closed state is complementa

145 d visualization via cocrystallography of two ligand-binding pockets in human SOD1 and its pathogenic

146 onist-bound beta(1)AR around the orthosteric ligand binding pocket indicate that the fully active rec

147 results suggest that Hsp90 stabilizes the GR ligand-binding pocket indirectly by utilizing the allost

148 scontinuous and that the presentation of the ligand binding pocket is dependent on alpha helices with

149 d receptor coactivator 1 reveals that the GR ligand binding pocket is expanded to a size of 1,070 A(3

150 The ligand binding pocket is situated between these two sand

151 ular dynamics simulations illustrate how the ligand-binding pocket is conformationally linked to this

152 The lipophilic liver X receptor ligand-binding pocket is larger than the corresponding s

153 or extending the hybrid domain, and that the ligand-binding pocket is not occluded by the membrane in

154 association of the antagonist with the core ligand-binding pocket is sufficient to induce an antagon

155 The ligand-binding pocket is surrounded with mostly hydropho

156 The ligand-binding pocket is unusual compared to those of ot

157 in monoclonal antibodies (mAbs) lie near the ligand-binding pocket, it follows that the epitopes of t

158 Since Nurr1 lacks a classical ligand-binding pocket, it is not clear which factors reg

159 LBD) reveals that luteolin occupies a buried ligand-binding pocket (LBP) but binds an inactive PPARga

160 terone (DHT) and testosterone (tes), for the ligand-binding pocket (LBP) in the ligand-binding domain

161 e parasite ACBP is shown to have a different ligand-binding pocket, leading to an acyl-CoA binding sp

162 s indicate, as for MTH313, the presence of a ligand binding pocket located between the dimerization a

163 six-bladed beta-propeller fold with a single ligand binding pocket located in the central part of the

164 n, and how many permissive conformations the ligand-binding pocket may adopt, remain unclear.

165 ligands and specific regions of the receptor ligand-binding pocket might selectively trigger a subset

166 Alterations include four ligand binding pocket mutations defining sites of inhibi

167 ng protein family that possesses a conserved ligand-binding pocket, negatively regulates the mammalia

168 cl2 structures reveals extensions of a known ligand-binding pocket not apparent in the apo crystal st

169 Within their ligand binding pockets, NR3A and NR3B have strikingly di

170 e molecular volume in the region of the hVDR ligand binding pocket occupied by the ligand side-chain

171 laces a SNAPFL-labeled antiestrogen from the ligand binding pocket of a terbium-labeled estrogen rece

172 ontaining the beta-propeller domain from the ligand binding pocket of alpha4 exhibited the same signa

173 se results provided the first details of the ligand binding pocket of an eicosanoid-binding chemoattr

174 xsA does not bind ExsD through the canonical ligand binding pocket of AraC-type proteins.

175 The ligand binding pocket of biogenic amine G protein-couple

176 Both Wy-14,643 and ciprofibrate occupied the ligand binding pocket of CAR and adapted a binding mode

177 lling allosterically the conformation of the ligand binding pocket of CD16.

178 erated antibodies specifically targeting the ligand binding pocket of CXCR4 receptor.

179 -terminus region and binding at the putative ligand binding pocket of CypD.

180 es different binding orientations within the ligand binding pocket of each receptor.

181 tion of numerous structural hot spots in the ligand binding pocket of Epa proteins is a main driver o

182 have used to probe the size and shape of the ligand binding pocket of ERalpha and ERbeta.

183 hat the amino acid tryptophan-299 within the ligand binding pocket of hPXR plays a key role in the ag

184 rect and variable agonistic link between the ligand binding pocket of integrins and the cell interior

185 These residues form part of the ligand binding pocket of MOR42-3.

186 the mutation of specific residues within the ligand binding pocket of PXR tunes the receptor's respon

187 crimination where 9a optimally addresses the ligand binding pocket of RXR.

188 -II class only requires local changes to the ligand binding pocket of the guanine/adenine class to ac

189 ed on a protrusion above the entrance to the ligand binding pocket of the protein.

190 Functional structure of the ligand binding pocket of the receptor was confirmed by b

191 l validation of a computational model of the ligand binding pocket of the S1P1 GPCR surrounding the a

192 They find fatty acids filling the ligand binding pocket of this receptor long considered a

193 The ligand binding pocket of TR4 is filled by the C-terminal

194 was crystallized without added ligands, the ligand binding pockets of both closed and open forms con

195 iffering orientations that they adapt in the ligand binding pockets of ERalpha vs ERbeta.

196 We find that the allosteric ligand binding pockets of mGluRs are overlapping with th

197 for these observations are variations in the ligand binding pockets of the three PPAR subtypes that a

198 f atoms in a ligand or for each residue in a ligand-binding pocket of a macromolecule could be calcul

199 g-term storage and relies on the hydrophobic ligand-binding pocket of AHR, with identical structural

200 om resolutions, offering a first view of the ligand-binding pocket of CD0873 and provide evidence tha

201 impaired by a point mutation in the putative ligand-binding pocket of COI1.

202 uggesting that they target the high affinity ligand-binding pocket of EphA4 and inhibit ephrin-A5 bin

203 ese ligands are accommodated in the flexible ligand-binding pocket of ER.

204 er exhibits specific binding activity at the ligand-binding pocket of expressed GABAC receptors, desp

205 This new mutation modifies the ligand-binding pocket of fetal hemoglobin by means of tw

206 0 to unliganded GR stabilizes the unliganded ligand-binding pocket of GR indirectly by promoting an i

207 nnels, we mutated several amino acids in the ligand-binding pocket of MloK1, known from electrophysio

208 atic residues, found in the acetylcholine or ligand-binding pocket of nAChRs, are conserved in all su

209 ing a critical tyrosine residue found in the ligand-binding pocket of other haem-binding NEAT domains

210 a indicated that the interaction between the ligand-binding pocket of PDZ1 and an internal ligand on

211 esidues and six nonpolar residues within the ligand-binding pocket of PPAR-gamma that are reported to

212 ave termed "U" and "S", interacting with the ligand-binding pocket of PPARgamma primarily via hydroph

213 d, displaces the drug rosiglitazone from the ligand-binding pocket of PPARgamma.

214 s identified several key residues within the ligand-binding pocket of PXR that constitute points of i

215 ), a natural ligand binding to the classical ligand-binding pocket of RXRalpha.

216 acing individual or multiple residues in the ligand-binding pocket of S1P(2) with S1P(1) sequence did

217 site-directed mutagenesis, we elucidated the ligand-binding pocket of T2R4.

218 the contributions of four amino acids in the ligand-binding pocket of the enzyme that differ between

219 as to anaerobiosis and that residues in the ligand-binding pocket of the protein influence its abili

220 o receptor function because they connect the ligand-binding pocket of the receptor to the nucleotide-

221 ing with agonist hormones for binding in the ligand-binding pocket of the receptor.

222 ly compatible with steric constraints of the ligand-binding pocket of the receptor.

223 1alpha,25-(OH)(2)D(3)-binding motifs in the ligand-binding pocket of VDR.

224 with an architecture similar to those of the ligand-binding pockets of coronavirus hemagglutinin este

225 Homology models predict that the ligand-binding pockets of KAI2d resemble D14.

226 dies identified several molecules within the ligand-binding pockets of RORalpha and RORbeta.

227 computational protein design techniques, the ligand-binding pockets of two periplasmic binding protei

228 ion cocrystal structures delineated a unique ligand-binding pocket on the Ras protein that is adjacen

229 A novel ligand-binding pocket on the RNR small subunit (RRM2) ne

230 the crystal structure shows that within the ligand-binding pocket only one adenine is highly specifi

231 nd to our structure identifies an additional ligand-binding pocket outside of the active site cleft.

232 late ligand binding directly by changing the ligand-binding pocket per se and/or indirectly by induci

233 Ligand-binding pocket point mutants of USP that do not b

234 Several potential ligand-binding pockets, positioned towards either end of

235 dies have implicated four amino acids in the ligand-binding pocket (positions 32, 47, 76, and 82).

236 The current structure also suggests that the ligand-binding pocket previously observed in the Cabin1-

237 The now validated ligand binding pocket provided us with a pharmacophore m

238 This computational map of the ligand binding pocket provides information necessary for

239 over, mutation of His-251 in the human A(1)R ligand binding pocket reduced AMP potency without affect

240 d five independent mutations in the putative ligand-binding pocket region that allow AphB to constitu

241 F adopts a unique orientation within the AHR ligand binding pocket relative to alphaNF and may facili

242 orin induces conformational changes in PXR's ligand binding pocket relative to structures of human PX

243 at D3.49/D6.30, further 2-AG entry into the ligand binding pocket results in both a W6.48 toggle swi

244 tails of the extensive charge network in the ligand binding pocket reveal additional interactions not

245 ure of MarR bound to salicylate revealed two ligand-binding pockets, SAL-A and SAL-B.

246 , which increase the free volume of the hVDR ligand binding pocket, significantly enhance MK antagoni

247 regulators: the structures show an extensive ligand-binding pocket spanning both monomers in the func

248 Interestingly, the residues lining the ligand binding pockets suggest that they both bind nitra

249 c amino acid residues in the entrance of the ligand-binding pocket than those with alpha-configuratio

250 selectivity of a coactivator and a distinct ligand binding pocket that explains its selectivity for

251 ing a single nucleotide swap distal from the ligand binding pocket that we find to predictably contro

252 onstructed a large comprehensive database of ligand binding pockets that will be searched against by

253 We describe a malleable ligand-binding pocket that accommodates drugs of diverse

254 ophobic residues on TM3 and TM7 form a broad ligand-binding pocket that can accommodate the diverse s

255 We identified key residues within hPXR's ligand-binding pocket that constitute points of interact

256 structure reveals important features of the ligand-binding pocket that contribute to the high affini

257 fied a single residue located outside of the ligand-binding pocket that controls mometasone furoate a

258 l simulations resulted in a water accessible ligand-binding pocket that lacked sodium ions.

259 ly localized to the P1 helix adjacent to the ligand-binding pocket that likely presents a local kinet

260 differentially stabilized regions within the ligand-binding pocket that may contribute to the differe

261 resulted in identification of an alternative ligand-binding pocket that partially overlaps the genomi

262 ly conservative residue substitutions in the ligand binding pocket, the most selective compounds have

263 dentifies the disulfide bond and the retinal ligand binding pocket to be the most rigid region in rho

264 mic endogenous ligand binding to a canonical ligand-binding pocket to hyperactivate PPARgamma.

265 tion to ensuring the accessibility of the GR ligand-binding pocket to ligands, Hsp90 seems to enable

266 suggesting a conformational pathway from the ligand-binding pocket to regions that interact with G pr

267 different set of key residues connecting the ligand-binding pocket to the G(s)-coupling site, and a s

268 coherent signaling pathway from the receptor ligand-binding pocket to the G-protein activation region

269 nts of the alpha1 and alpha1' helices at the ligand binding pocket toward the high affinity state, wi

270 During this opening, RGD slides in the ligand-binding pocket toward alphaIIb, with movement of

271 gand at 2 K dynamically reorients within the ligand-binding pocket, tunneling among the energy minima

272 or subtypes that utilize the same allosteric ligand-binding pocket, using wild-type receptors and chi

273 al opportunity to tune interactions with the ligand binding pocket via changes in hydrogen bond donor

274 tracellular loop (ECL) 2, which composes the ligand-binding pocket, was substantially different from

275 Arising from an in silico screen of the MR1 ligand-binding pocket, we identify one ligand, 3-([2,6-d

276 Crystal structures have defined the ligand binding pocket well beyond what was suggested by

277 acid residues that span the entire putative ligand binding pocket were used in this study.

278 S1P(2) point mutants of the ligand-binding pocket were characterized.

279 cally changed the residues in the allosteric ligand-binding pocket were studied in the presence of Y1

280 n energetically preferring a pose in the VDR ligand binding pocket where its terminal C26-methylene a

281 und in ZM241385, which extends deep into the ligand-binding pocket where it makes polar interactions

282 helix 12 is folded over the entrance to the ligand-binding pocket where it serves as a lid, and it h

283 otential on the face containing entry to the ligand binding pocket, whereas LJM111 is negative to neu

284 A binds carbonic acid at the entrance to the ligand-binding pocket, whereas bicarbonate binds in near

285 One was located in the consensus ligand-binding pocket, whereas the other bound to a site

286 lso pushes the heme toward the substrate and ligand binding pocket, which relocates the substrate to

287 confirmed 18 residues lining the hydrophobic ligand binding pocket, which, combined with the previous

288 e structural features within the diverse Epa ligand binding pockets, which affect affinity and specif

289 formation is enabled by a deeply penetrating ligand-binding pocket, which in turn results from a nonc

290 ailable structures of apoNPC2, the incipient ligand-binding pocket, which ranges from a loosely packe

291 nidinium group of Arg(226) at one end of the ligand binding pocket, while the aliphatic chain fills a

292 amino acid predicted to be in the ERR alpha ligand-binding pocket with the corresponding ERR gamma r

293 LBD) is a helical sandwich fold that nests a ligand binding pocket within the bottom half of the doma

294 We report here the discovery of a ligand binding pocket within the catalytic domain of BAC

295 Most research has focused on identifying the ligand binding pocket within the helical bundle, whereas

296 The presence of a well-defined ligand-binding pocket within the highly conserved IRES s

297 y altering the region bounded by AF2 and the ligand binding pocket without affecting equilibrium andr

298 Occupancy of the ligand binding pocket without cell activation was suffic

299 to fine tune allostery on changes to the CAP ligand-binding pocket without a drive to a noncooperativ

300 ming primarily hydrophobic contacts with the ligand-binding pocket without direct hydrogen-bonding in