Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T96079 | Target Info | |||
| Target Name | C-X-C chemokine receptor type 4 (CXCR4) | ||||
| Synonyms | Stromal cell-derived factor 1 receptor; SDF-1 receptor; NPYRL; Lipopolysaccharide-associated protein 3; Leukocyte-derived seven transmembrane domain receptor; LPS-associated protein 3; LESTR; LCR1; LAP-3; HM89; Fusin; FB22; Chemokine receptor CXCR4; CXCR-4; CXC-R4; CD184 antigen; CD184 | ||||
| Target Type | Successful Target | ||||
| Gene Name | CXCR4 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Isothiourea-1t | Ligand Info | |||||
| Structure Description | The 2.5 A structure of the CXCR4 chemokine receptor in complex with small molecule antagonist IT1t | PDB:3ODU | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
PCFREENANF
36 NKIFLPTIYS46 IIFLTGIVGN56 GLVILVMGYQ66 KKLRSMTDKY76 RLHLSVADLL 86 FVITLPFWAV96 DAVANWYFGN106 FLCKAVHVIY116 TVNLYSSVWI126 LAFISLDRYL 136 AIVHATNSQR146 PRKLLAEKVV156 YVGVWIPALL166 LTIPDFIFAN176 VSEADDRYIC 186 DRFYPNDLWV196 VVFQFQHIMV206 GLILPGIVIL216 SCYCIIISKL226 SHSGSNIFEM 1006 LRIDEGLRLK1016 IYKDTEGYYT1026 IGIGHLLTKS1036 PSLNAAKSEL1046 DKAIGRNTNG 1056 VITKDEAEKL1066 FNQDVDAAVR1076 GILRNAKLKP1086 VYDSLDAVRR1096 AALINMVFQM 1106 GETGVAGFTN1116 SLRMLQQKRW1126 DEAAVNLAKS1136 RWYNQTPNRA1146 KRVITTFRTG 1156 TWDAYGSKGH232 QKRKALKTTV242 ILILAFFACW252 LPYYIGISID262 SFILLEIIKQ 272 GCEFENTVHK282 WISITEALAF292 FHCCLNPILY302 AFLGAKFKTS312 AQHALTSGRP 322 LEVLFQ
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Oleic acid | Ligand Info | |||||
| Structure Description | The 2.5 A structure of the CXCR4 chemokine receptor in complex with small molecule antagonist IT1t | PDB:3ODU | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
PCFREENANF
36 NKIFLPTIYS46 IIFLTGIVGN56 GLVILVMGYQ66 KKLRSMTDKY76 RLHLSVADLL 86 FVITLPFWAV96 DAVANWYFGN106 FLCKAVHVIY116 TVNLYSSVWI126 LAFISLDRYL 136 AIVHATNSQR146 PRKLLAEKVV156 YVGVWIPALL166 LTIPDFIFAN176 VSEADDRYIC 186 DRFYPNDLWV196 VVFQFQHIMV206 GLILPGIVIL216 SCYCIIISKL226 SHSGSNIFEM 1006 LRIDEGLRLK1016 IYKDTEGYYT1026 IGIGHLLTKS1036 PSLNAAKSEL1046 DKAIGRNTNG 1056 VITKDEAEKL1066 FNQDVDAAVR1076 GILRNAKLKP1086 VYDSLDAVRR1096 AALINMVFQM 1106 GETGVAGFTN1116 SLRMLQQKRW1126 DEAAVNLAKS1136 RWYNQTPNRA1146 KRVITTFRTG 1156 TWDAYGSKGH232 QKRKALKTTV242 ILILAFFACW252 LPYYIGISID262 SFILLEIIKQ 272 GCEFENTVHK282 WISITEALAF292 FHCCLNPILY302 AFLGAKFKTS312 AQHALTSGRP 322 LEVLFQ
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science. 2010 Nov 19;330(6007):1066-71. | ||||
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