Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T89988 | Target Info | |||
| Target Name | C-C chemokine receptor type 2 (CCR2) | ||||
| Synonyms | Monocyte chemoattractant protein 1 receptor; MCP-1-R; Chemokine receptor CCR2B; CMKBR2; CD192; CCR-2; CC-CKR-2; C-C CKR-2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CCR2 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: (3s)-1-{(1s,2r,4r)-4-[methyl(Propan-2-Yl)amino]-2-Propylcyclohexyl}-3-{[6-(Trifluoromethyl)quinazolin-4-Yl]amino}pyrrolidin-2-One | Ligand Info | |||||
| Structure Description | Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists | PDB:5T1A | ||||
| Method | X-ray diffraction | Resolution | 2.81 Å | Mutation | Yes | [1] |
| PDB Sequence |
VKQIGAQLLP
46 PLYSLVFIFG56 FVGNMLVVLI66 LINCKKLKCL76 TDIYLLNLAI86 SDLLFLITLP 96 LWAHSAANEW106 VFGNAMCKLF116 TGLYHIGYFG126 GIFFIILLTI136 DRYLAIVHAV 146 FALKARTVTF156 GVVTSVITWL166 VAVFASVPGI176 IFTKQKEDSV187 YVCGPYFPRG 197 WNNFHTIMRN207 ILGLVLPLLI217 MVICYSGISR227 ASKSRINIFE1005 MLRIDEGLRL 1015 KIYKDTEGYY1025 TIGIGHLLTK1035 SPSLNAAKSE1045 LDKAIGRNTN1055 GVITKDEAEK 1065 LFNQDVDAAV1075 RGILRNAKLK1085 PVYDSLDAVR1095 RAALINMVFQ1105 MGETGVAGFT 1115 NSLRMLQQKR1125 WDEAAVNLAK1135 SRWYNQTPNR1145 AKRVITTFRT1155 GTWDAYPPPS 236 REKKAVRVIF246 TIMIVYFLFW256 TPYNIVILLN266 TFQEFFGLSN276 CESTSQLDQA 286 TQVTETLGMT296 HCCINPIIYA306 FVGEKFRRYL316 SVFF
|
|||||
|
|
||||||
| Ligand Name: 2H-Pyrrol-2-one, 4-acetyl-1-(4-chloro-2-fluorophenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-, (5R)- | Ligand Info | |||||
| Structure Description | Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists | PDB:5T1A | ||||
| Method | X-ray diffraction | Resolution | 2.81 Å | Mutation | Yes | [1] |
| PDB Sequence |
VKQIGAQLLP
46 PLYSLVFIFG56 FVGNMLVVLI66 LINCKKLKCL76 TDIYLLNLAI86 SDLLFLITLP 96 LWAHSAANEW106 VFGNAMCKLF116 TGLYHIGYFG126 GIFFIILLTI136 DRYLAIVHAV 146 FALKARTVTF156 GVVTSVITWL166 VAVFASVPGI176 IFTKQKEDSV187 YVCGPYFPRG 197 WNNFHTIMRN207 ILGLVLPLLI217 MVICYSGISR227 ASKSRINIFE1005 MLRIDEGLRL 1015 KIYKDTEGYY1025 TIGIGHLLTK1035 SPSLNAAKSE1045 LDKAIGRNTN1055 GVITKDEAEK 1065 LFNQDVDAAV1075 RGILRNAKLK1085 PVYDSLDAVR1095 RAALINMVFQ1105 MGETGVAGFT 1115 NSLRMLQQKR1125 WDEAAVNLAK1135 SRWYNQTPNR1145 AKRVITTFRT1155 GTWDAYPPPS 236 REKKAVRVIF246 TIMIVYFLFW256 TPYNIVILLN266 TFQEFFGLSN276 CESTSQLDQA 286 TQVTETLGMT296 HCCINPIIYA306 FVGEKFRRYL316 SVFF
|
|||||
|
|
||||||
| Ligand Name: Cysteine-S-Acetamide | Ligand Info | |||||
| Structure Description | Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists | PDB:5T1A | ||||
| Method | X-ray diffraction | Resolution | 2.81 Å | Mutation | Yes | [1] |
| PDB Sequence |
VKQIGAQLLP
46 PLYSLVFIFG56 FVGNMLVVLI66 LINCKKLKCL76 TDIYLLNLAI86 SDLLFLITLP 96 LWAHSAANEW106 VFGNAMCKLF116 TGLYHIGYFG126 GIFFIILLTI136 DRYLAIVHAV 146 FALKARTVTF156 GVVTSVITWL166 VAVFASVPGI176 IFTKQKEDSV187 YVCGPYFPRG 197 WNNFHTIMRN207 ILGLVLPLLI217 MVICYSGISR227 ASKSRINIFE1005 MLRIDEGLRL 1015 KIYKDTEGYY1025 TIGIGHLLTK1035 SPSLNAAKSE1045 LDKAIGRNTN1055 GVITKDEAEK 1065 LFNQDVDAAV1075 RGILRNAKLK1085 PVYDSLDAVR1095 RAALINMVFQ1105 MGETGVAGFT 1115 NSLRMLQQKR1125 WDEAAVNLAK1135 SRWYNQTPNR1145 AKRVITTFRT1155 GTWDAYPPPS 236 REKKAVRVIF246 TIMIVYFLFW256 TPYNIVILLN266 TFQEFFGLSN276 CESTSQLDQA 286 TQVTETLGMT296 HCCINPIIYA306 FVGEKFRRYL316 SVFF
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YCM or .YCM2 or .YCM3 or :3YCM;style chemicals stick;color identity;select .A:106 or .A:109 or .A:110 or .A:113 or .A:179 or .A:180 or .A:182 or .A:183 or .A:188 or .A:189 or .A:190; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists. Nature. 2016 Dec 15;540(7633):458-461. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.