Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T60693 | Target Info | |||
| Target Name | Opioid receptor kappa (OPRK1) | ||||
| Synonyms | OPRK; Kappa-type opioid receptor; Kappa opioid receptor; KOR-1; KOR; K-OR-1 | ||||
| Target Type | Successful Target | ||||
| Gene Name | OPRK1 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Meclinertant | Ligand Info | |||||
| Structure Description | CryoEM Structure of Inactive NTSR1 Bound to SR48692 and Nb6 | PDB:7UL2 | ||||
| Method | Electron microscopy | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
IYSKVLVTAV
69 YLALFVVGTV79 GNTVTLFTLA89 RSTVHYHLGS107 LALSDLLTLL117 LAMPVELYNF 127 IWVHHPWAFG137 DAGCRGYYFL147 RDACTYATAL157 NVASLSVERY167 LAICHPFKAK 177 TLMSRSRTKK187 FISAIWLASA197 LLAVPMLFTM207 GEQNRSAHAG220 GLVCTPTIHT 230 ATVKVVIQVN240 TFMSFIFPMV250 VISVLYTLMI260 LRLKSVRLLS270 GSREKDRNLR 299 RITRLVLAVV309 IAFVVCWLPY319 HVRRLMFCYI329 SWTPFLYDFY342 HYFYMVTNAL 352 FYVSSTINPI362 LYNLVSANFR372 HIFLATL
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| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor | PDB:6B73 | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [2] |
| PDB Sequence |
LGSISPAIPV
60 IITAVYSVVF70 VVGLVGNSLV80 MFVIIRYTKM90 KTATNIYIFN100 LALADALVTT 110 TMPFQSTVYL120 MNSWPFGDVL130 CKIVLSIDYY140 NMFTSIFTLT150 MMSVDRYIAV 160 CHPVKALDFR170 TPLKAKIINI180 CIWLLSSSVG190 ISAIVLGGTK200 VRDVIECSLQ 213 FPDDDYSWWD223 LFMKICVFIF233 AFVIPVLIII243 VCYTLMILRL253 KSVRSREKDR 267 NLRRITRLVL277 VVVAVFVVCW287 TPIHIFILVE297 ALGTSHSTAA308 LSSYYFCIAL 318 GYTNSSLNPI328 LYAFLDENFK338 R
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| Ligand Name: Oleic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor | PDB:6B73 | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [2] |
| PDB Sequence |
LGSISPAIPV
60 IITAVYSVVF70 VVGLVGNSLV80 MFVIIRYTKM90 KTATNIYIFN100 LALADALVTT 110 TMPFQSTVYL120 MNSWPFGDVL130 CKIVLSIDYY140 NMFTSIFTLT150 MMSVDRYIAV 160 CHPVKALDFR170 TPLKAKIINI180 CIWLLSSSVG190 ISAIVLGGTK200 VRDVIECSLQ 213 FPDDDYSWWD223 LFMKICVFIF233 AFVIPVLIII243 VCYTLMILRL253 KSVRSREKDR 267 NLRRITRLVL277 VVVAVFVVCW287 TPIHIFILVE297 ALGTSHSTAA308 LSSYYFCIAL 318 GYTNSSLNPI328 LYAFLDENFK338 R
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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 .OLA or .OLA2 or .OLA3 or :3OLA;style chemicals stick;color identity;select .A:56 or .A:57 or .A:58 or .A:60 or .A:61 or .A:64; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: JDTic | Ligand Info | |||||
| Structure Description | Structure of the human kappa opioid receptor in complex with JDTic | PDB:4DJH | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | Yes | [3] |
| PDB Sequence |
SPAIPVIITA
64 VYSVVFVVGL74 VGNSLVMFVI84 IRYTKMKTAT94 NIYIFNLALA104 DALVTTTMPF 114 QSTVYLMNSW124 PFGDVLCKIV134 LSIDYYNMFT144 SIFTLTMMSV154 DRYIAVCHPV 164 KALDFRTPLK174 AKIINICIWL184 LSSSVGISAI194 VLGGTKVRED204 VDVIECSLQF 214 PDDDYSWWDL224 FMKICVFIFA234 FVIPVLIIIV244 CYTLMILRLK254 SVRLLSGNIF 1004 EMLRIDEGLR1014 LKIYKDTEGY1024 YTIGIGHLLT1034 KSPSLNAAKS1044 ELDKAIGRNT 1054 NGVITKDEAE1064 KLFNQDVDAA1074 VRGILRNAKL1084 KPVYDSLDAV1094 RRAALINMVF 1104 QMGETGVAGF1114 TNSLRMLQQK1124 RWDEAAVNLA1134 KSRWYNQTPN1144 RAKRVITTFR 1154 TGTWDAYREK265 DRNLRRITRL275 VLVVVAVFVV285 CWTPIHIFIL295 VEALGSAALS 310 SYYFCIALGY320 TNSSLNPILY330 AFLDENFKRC340 FRDFCFP
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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 .JDC or .JDC2 or .JDC3 or :3JDC;style chemicals stick;color identity;select .A:108 or .A:111 or .A:115 or .A:118 or .A:124 or .A:134 or .A:135 or .A:138 or .A:139 or .A:141 or .A:142 or .A:210 or .A:226 or .A:227 or .A:230 or .A:287 or .A:290 or .A:291 or .A:294 or .A:312 or .A:316 or .A:319 or .A:320; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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VAL108
3.837
THR111
3.526
GLN115
3.204
VAL118
4.047
TRP124
3.813
VAL134
3.438
LEU135
3.800
ASP138
2.625
TYR139
3.695
ASN141
4.835
MET142
3.710
CYS210
3.828
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor | PDB:6B73 | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [2] |
| PDB Sequence |
LGSISPAIPV
60 IITAVYSVVF70 VVGLVGNSLV80 MFVIIRYTKM90 KTATNIYIFN100 LALADALVTT 110 TMPFQSTVYL120 MNSWPFGDVL130 CKIVLSIDYY140 NMFTSIFTLT150 MMSVDRYIAV 160 CHPVKALDFR170 TPLKAKIINI180 CIWLLSSSVG190 ISAIVLGGTK200 VRDVIECSLQ 213 FPDDDYSWWD223 LFMKICVFIF233 AFVIPVLIII243 VCYTLMILRL253 KSVRSREKDR 267 NLRRITRLVL277 VVVAVFVVCW287 TPIHIFILVE297 ALGTSHSTAA308 LSSYYFCIAL 318 GYTNSSLNPI328 LYAFLDENFK338 R
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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 .CVV or .CVV2 or .CVV3 or :3CVV;style chemicals stick;color identity;select .A:111 or .A:114 or .A:115 or .A:124 or .A:134 or .A:135 or .A:138 or .A:139 or .A:142 or .A:210 or .A:211 or .A:227 or .A:230 or .A:287 or .A:290 or .A:291 or .A:294 or .A:312 or .A:316 or .A:319 or .A:320 or .A:323; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR111
3.895
PHE114
4.370
GLN115
3.291
TRP124
4.109
VAL134
3.336
LEU135
3.581
ASP138
3.044
TYR139
2.724
MET142
3.606
CYS210
3.153
SER211
4.904
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure determination of inactive-state GPCRs with a universal nanobody. Nat Struct Mol Biol. 2022 Dec;29(12):1188-1195. | ||||
| REF 2 | Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor. Cell. 2018 Jan 11;172(1-2):55-67.e15. | ||||
| REF 3 | Structure of the human Kappa-opioid receptor in complex with JDTic. Nature. 2012 Mar 21;485(7398):327-32. | ||||
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