Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T37693 | Target Info | |||
| Target Name | Cannabinoid receptor 2 (CB2) | ||||
| Synonyms | hCB2; Cannabinoid CB2 receptor; CX5; CB2B; CB2A; CB-2 | ||||
| Target Type | Successful Target | ||||
| Gene Name | CNR2 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | Cryo-EM structure of human cannabinoid receptor 2-Gi protein in complex with agonist WIN 55,212-2 | PDB:6PT0 | ||||
| Method | Electron microscopy | Resolution | 3.20 Å | Mutation | Yes | [1] |
| PDB Sequence |
MKDYMILSGP
31 QKTAVAVLCT41 LLGLLSALEN51 VAVLYLILSS61 HQLRRKPSYL71 FIGSLAGADF 81 LASVVFACSF91 VNFHVFHGVD101 SKAVFLLKIG111 SVTMTFTASV121 GSLLLTAIDR 131 YLCLRYPPSY141 KALLTRGRAL151 VTLGIMWVLS161 ALVSYLPLMG171 WTCCPRPCSE 181 LFPLIPNDYL191 LSWLLFIAFL201 FSGIIYTYGH211 VLWKAHQHVA221 SLSGHQDRQV 231 PGMARMRLDV241 RLAKTLGLVL251 AVLLICWFPV261 LALMAHSLAT271 TLSDQVKKAF 281 AFCSMLCLIN291 SMVNPVIYAL301 RSGEIRSSAH311 HCLAHWKK
|
|||||
|
|
PHE72
4.198
LEU126
3.744
ILE129
3.763
ASP130
4.225
LEU133
3.751
TYR137
4.026
LEU144
3.601
LEU145
3.765
ARG149
3.892
THR153
3.743
GLY210
3.332
HIS211
4.680
LEU213
3.601
TRP214
3.720
HIS217
3.923
|
|||||
| Ligand Name: WIN-55212-2 | Ligand Info | |||||
| Structure Description | Cryo-EM structure of human cannabinoid receptor 2-Gi protein in complex with agonist WIN 55,212-2 | PDB:6PT0 | ||||
| Method | Electron microscopy | Resolution | 3.20 Å | Mutation | Yes | [1] |
| PDB Sequence |
MKDYMILSGP
31 QKTAVAVLCT41 LLGLLSALEN51 VAVLYLILSS61 HQLRRKPSYL71 FIGSLAGADF 81 LASVVFACSF91 VNFHVFHGVD101 SKAVFLLKIG111 SVTMTFTASV121 GSLLLTAIDR 131 YLCLRYPPSY141 KALLTRGRAL151 VTLGIMWVLS161 ALVSYLPLMG171 WTCCPRPCSE 181 LFPLIPNDYL191 LSWLLFIAFL201 FSGIIYTYGH211 VLWKAHQHVA221 SLSGHQDRQV 231 PGMARMRLDV241 RLAKTLGLVL251 AVLLICWFPV261 LALMAHSLAT271 TLSDQVKKAF 281 AFCSMLCLIN291 SMVNPVIYAL301 RSGEIRSSAH311 HCLAHWKK
|
|||||
|
|
PHE87
3.513
SER90
3.216
PHE91
3.993
PHE94
3.440
HIS95
4.954
PHE106
4.752
ILE110
3.725
VAL113
4.389
THR114
3.291
PHE117
4.655
PRO168
4.946
LEU182
4.379
|
|||||
| Ligand Name: Oleic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human G protein coupled receptor | PDB:5ZTY | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
APPMKDYMIL
28 SGPQKTAVAV38 LCTLLGLLSA48 LENVAVLYLI58 LSSHQLRRKP68 SYLFIGSLAL 78 ADFLASVVFA88 CSFVNFHVFH98 GVDSKAVFLL108 KIGSVTMTFT118 ASVGSLLLAA 128 IDRYLCLRYP138 PSYKALLTRG148 RALVLLGIMW158 VLSALVSYLP168 LMGWTCCPRP 178 CSELFPLIPN188 DYLLSWLLFI198 AFLFSGIIYT208 YGHVLWKAHQ218 HVASNIFEML 1006 RIDEGLRLKI1016 YKDTEGYYTI1026 GIGHLLTKSP1036 SLNAAKSELD1046 KAIGRNTNGV 1056 ITKDEAEKLF1066 NQDVDAAVRG1076 ILRNAKLKPV1086 YDSLDAVRRA1096 ALINMVFQMG 1106 ETGVAGFTNS1116 LRMLQQKRWD1126 EAAVNLAKSR1136 WYNQTPNRAK1146 RVITTFRTGT 1156 WDAYARMRLD240 VELAKTLGLV250 LAVLLICWFP260 VLALMAHSLA270 TTLSDQVKKA 280 FAFCSMLCLI290 NSMVNPVIYA300 LRSEEIRSSA310 HHCLAHWKK
|
|||||
|
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:78 or .A:82 or .A:115 or .A:151 or .A:154 or .A:155 or .A:158; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-[(6aR,9R,10aR)-1-Hydroxy-9-(hydroxymethyl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-3-yl]-7-methyloctanenitrile | Ligand Info | |||||
| Structure Description | Cryo-EM structure of a class A GPCR with G protein complex | PDB:6KPF | ||||
| Method | Electron microscopy | Resolution | 2.90 Å | Mutation | No | [3] |
| PDB Sequence |
PMKDYMILSG
30 PQKTAVAVLC40 TLLGLLSALE50 NVAVLYLILS60 SHQLRRKPSY70 LFIGSLAGAD 80 FLASVVFACS90 FVNFHVFHGV100 DSKAVFLLKI110 GSVTMTFTAS120 VGSLLLTAID 130 RYLCLRYPPS140 YKALLTRGRA150 LVTLGIMWVL160 SALVSYLPLM170 GWTCCPRPCS 180 ELFPLIPNDY190 LLSWLLFIAF200 LFSGIIYTYG210 HVLWKAHQHV220 ASLSGHQMRL 239 DVRLAKTLGL249 VLAVLLICWF259 PVLALMAHSL269 ATTLSDQVKK279 AFAFCSMLCL 289 INSMVNPVIY299 ALRSGEIRSS309 AHHCLAHWKK319
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E3R or .E3R2 or .E3R3 or :3E3R;style chemicals stick;color identity;select .R:25 or .R:87 or .R:90 or .R:91 or .R:94 or .R:95 or .R:106 or .R:109 or .R:110 or .R:113 or .R:114 or .R:117 or .R:182 or .R:183 or .R:184 or .R:186 or .R:190 or .R:191 or .R:194 or .R:258 or .R:261 or .R:265 or .R:281 or .R:285 or .R:288; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR25
3.640
PHE87
3.506
SER90
3.309
PHE91
3.644
PHE94
3.187
HIS95
3.918
PHE106
4.146
LYS109
4.257
ILE110
3.933
VAL113
3.410
THR114
3.343
PHE117
3.559
LEU182
4.199
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1H-pyrazole-3-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human G protein coupled receptor | PDB:5ZTY | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
APPMKDYMIL
28 SGPQKTAVAV38 LCTLLGLLSA48 LENVAVLYLI58 LSSHQLRRKP68 SYLFIGSLAL 78 ADFLASVVFA88 CSFVNFHVFH98 GVDSKAVFLL108 KIGSVTMTFT118 ASVGSLLLAA 128 IDRYLCLRYP138 PSYKALLTRG148 RALVLLGIMW158 VLSALVSYLP168 LMGWTCCPRP 178 CSELFPLIPN188 DYLLSWLLFI198 AFLFSGIIYT208 YGHVLWKAHQ218 HVASNIFEML 1006 RIDEGLRLKI1016 YKDTEGYYTI1026 GIGHLLTKSP1036 SLNAAKSELD1046 KAIGRNTNGV 1056 ITKDEAEKLF1066 NQDVDAAVRG1076 ILRNAKLKPV1086 YDSLDAVRRA1096 ALINMVFQMG 1106 ETGVAGFTNS1116 LRMLQQKRWD1126 EAAVNLAKSR1136 WYNQTPNRAK1146 RVITTFRTGT 1156 WDAYARMRLD240 VELAKTLGLV250 LAVLLICWFP260 VLALMAHSLA270 TTLSDQVKKA 280 FAFCSMLCLI290 NSMVNPVIYA300 LRSEEIRSSA310 HHCLAHWKK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9JU or .9JU2 or .9JU3 or :39JU;style chemicals stick;color identity;select .A:87 or .A:90 or .A:91 or .A:94 or .A:95 or .A:106 or .A:110 or .A:113 or .A:114 or .A:117 or .A:183 or .A:184 or .A:186 or .A:190 or .A:191 or .A:194 or .A:258 or .A:261 or .A:262 or .A:265 or .A:281 or .A:285 or .A:288; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE87
3.282
SER90
3.428
PHE91
3.818
PHE94
3.849
HIS95
4.031
PHE106
4.018
ILE110
3.803
VAL113
3.710
THR114
3.662
PHE117
3.576
PHE183
3.396
PRO184
4.870
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Cryo-EM Structure of the Human Cannabinoid Receptor CB2-G(i) Signaling Complex. Cell. 2020 Feb 20;180(4):645-654.e13. | ||||
| REF 2 | Crystal Structure of the Human Cannabinoid Receptor CB2. Cell. 2019 Jan 24;176(3):459-467.e13. | ||||
| REF 3 | Activation and Signaling Mechanism Revealed by Cannabinoid Receptor-G(i) Complex Structures. Cell. 2020 Feb 20;180(4):655-665.e18. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.