Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T69485 | Target Info | |||
| Target Name | Orexin receptor type 2 (HCRTR2) | ||||
| Synonyms | Ox2r; Ox2-R; Ox-2-R; Orexin-2 receptor; Hypocretin receptor type 2; HFGANP | ||||
| Target Type | Successful Target | ||||
| Gene Name | HCRTR2 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Oleic acid | Ligand Info | |||||
| Structure Description | Structure of the orexin-2 receptor(OX2R) bound to TAK-925, Gi and scFv16 | PDB:7SQO | ||||
| Method | Electron microscopy | Resolution | 3.17 Å | Mutation | No | [1] |
| PDB Sequence |
WVLIAGYIIV
64 FVVALIGNVL74 VCVAVWKNHH84 MRTVTNYFIV94 NLSLADVLVT104 ITCLPATLVV 114 DITETWFFGQ124 SLCKVIPYLQ134 TVSVSVSVLT144 LSCIALDRWY154 AICHPLMFKS 164 TAKRARNSIV174 IIWIVSCIIM184 IPQAIVMECS194 TVCDERWGGE217 IYPKMYHICF 227 FLVTYMAPLC237 LMVLAYLQIF247 RKLWCRQIIK294 QIRARRKTAR304 MLMVVLLVFA 314 ICYLPISILN324 VLKRVFGMFR339 ETVYAWFTFS349 HWLVYANSAA359 NPIIYNFLSG 369 KFREEFKAAF379
|
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|
|
PHE92
4.984
LEU143
2.331
SER146
3.351
CYS147
2.911
LEU150
2.595
TRP153
2.437
TYR154
3.240
HIS158
3.770
MET161
4.128
LYS163
4.473
ARG168
3.787
ASN171
4.258
SER172
2.520
ILE175
2.534
ILE176
2.913
VAL179
3.870
ILE183
4.628
|
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| Ligand Name: Danavorexton | Ligand Info | |||||
| Structure Description | Structure of the orexin-2 receptor(OX2R) bound to TAK-925, Gi and scFv16 | PDB:7SQO | ||||
| Method | Electron microscopy | Resolution | 3.17 Å | Mutation | No | [1] |
| PDB Sequence |
WVLIAGYIIV
64 FVVALIGNVL74 VCVAVWKNHH84 MRTVTNYFIV94 NLSLADVLVT104 ITCLPATLVV 114 DITETWFFGQ124 SLCKVIPYLQ134 TVSVSVSVLT144 LSCIALDRWY154 AICHPLMFKS 164 TAKRARNSIV174 IIWIVSCIIM184 IPQAIVMECS194 TVCDERWGGE217 IYPKMYHICF 227 FLVTYMAPLC237 LMVLAYLQIF247 RKLWCRQIIK294 QIRARRKTAR304 MLMVVLLVFA 314 ICYLPISILN324 VLKRVFGMFR339 ETVYAWFTFS349 HWLVYANSAA359 NPIIYNFLSG 369 KFREEFKAAF379
|
|||||
|
|
VAL103
4.977
CYS107
3.611
ALA110
3.455
THR111
3.136
VAL114
2.317
TRP120
3.696
PRO131
2.877
GLN134
2.490
THR135
2.681
VAL138
2.489
GLN187
3.027
CYS210
4.961
|
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| Ligand Name: 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide | Ligand Info | |||||
| Structure Description | Orexin Receptor 2 (OX2R) in Complex with G Protein and Small-Molecule Agonist Compound 1 | PDB:7L1V | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | Yes | [2] |
| PDB Sequence |
WVLIAGYIIV
64 FVVALIGNVL74 VCVAVWKNHH84 MRTVTNYFIV94 NLSLADVLVT104 ITCLPATLVV 114 DITETWFFGQ124 SLCKVIPYLQ134 TVSVSVSVLT144 LSCIALDRWY154 AICHPLMFKS 164 TAKRARNSIV174 IIWIVSCIIM184 IPQAIVMECS194 TVFPGLANKT204 TLFTVCDERW 214 GGEIYPKMYH224 ICFFLVTYMA234 PLCLMVLAYL244 QIFRKLWEIK294 QIRARRKTAR 304 MLMVVLLVFA314 ICYLPISILN324 VLKRVFGMFA334 HTEDRETVYA344 WFTFSHWLVY 354 ANSAANPIIY364 NFLSGKFREE374 FKAA
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XGD or .XGD2 or .XGD3 or :3XGD;style chemicals stick;color identity;select .R:107 or .R:110 or .R:111 or .R:114 or .R:115 or .R:118 or .R:119 or .R:120 or .R:130 or .R:131 or .R:134 or .R:135 or .R:138 or .R:187 or .R:191 or .R:207 or .R:209 or .R:210 or .R:211 or .R:227 or .R:231 or .R:320 or .R:321 or .R:324 or .R:328 or .R:343 or .R:346 or .R:347 or .R:350 or .R:353 or .R:354; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
CYS107
3.799
ALA110
3.603
THR111
3.286
VAL114
3.457
ASP115
4.398
GLU118
3.854
THR119
4.735
TRP120
3.317
ILE130
4.813
PRO131
3.658
GLN134
3.043
THR135
3.759
VAL138
3.578
GLN187
3.550
MET191
3.599
PHE207
3.941
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Molecular mechanism of the wake-promoting agent TAK-925. Nat Commun. 2022 May 25;13(1):2902. | ||||
| REF 2 | Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation. Nat Commun. 2021 Feb 5;12(1):815. | ||||
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