Structure of PDB 7wih Chain A Binding Site BS01

Receptor Information
>7wih Chain A (length=741) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REIKIEGDLVLGGLFPINECGRINEDRGIQRLEAMLFAIDEINKDDYLLP
GVKLGVHILDTCSRDTYALEQSLEFVRASLLIAGVIGGSYSSVSIQVANL
LRLFQIPQISYASTSAKLSDKSRYDYFARTVPPDFYQAKAMAEILRFFNW
TYVSTVASEGDYGETGIEAFEQEARLRNICIATAEKVGRSNIRKSYDSVI
RELLQKPNARVVVLFMRSDDSRELIAAASRANASFTWVASDGWGAQESII
KGSEHVAYGAITLELASQPVRQFDRYFQSLNPYNNHRNPWFRDFWEQKFQ
CSLRNHRRVCDKHLAIDSSNYEQESKIMFVVNAVYAMAHALHKMQRTLCP
NTTKLCDAMKILDGKKLYKDYLLKINFTAPFNPNKDADSIVKFDTFGDGM
GRYNVFNFQNVGGKYSYLKVGHWAETLSLDVNSIHWSRNSVPTSQCSDPC
APNEMKNMQPGDVCCWICIPCEPYEYLADEFTCMDCGSGQWPTADLTGCY
DLPEDYIRWEDAWAIGPVTIACLGFMCTCMVVTVFIKHNNTPLVKASGRE
LCYILLFGVGLSYCMTFFFIAKPSPVICALRRLGLGSSFAICYSALLTKT
NCIARQVFICLGLILVQIVMVSVWLILEAPGTRRYTLAEKRETVILKCNV
KDSSMLISLTYDVILVILCTVYAFKTRKCPENFNEAKFIGFTMYTTCIIW
LAFLPIFYVTSSDYRVQTTTMCISVSLSGFVVLGCLFAPKV
Ligand information
Ligand IDCWY
InChIInChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t9-,10-,11-,12-,16-/m0/s1
InChIKeyUXNRHIJPZNNDDJ-VZAVHYRXSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1cccc(c1)C(=O)N[CH]2C[C](N)([CH]3[CH]2[CH]3C(O)=O)C(O)=O
ACDLabs 12.01OC(C3(CC(NC(=O)c1cc(OC)ccc1)C2C(C(O)=O)C23)N)=O
OpenEye OEToolkits 2.0.6COc1cccc(c1)C(=O)N[C@H]2C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N
CACTVS 3.385COc1cccc(c1)C(=O)N[C@H]2C[C@](N)([C@H]3[C@@H]2[C@@H]3C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6COc1cccc(c1)C(=O)NC2CC(C3C2C3C(=O)O)(C(=O)O)N
FormulaC16 H18 N2 O6
Name(1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
ChEMBLCHEMBL4081453
DrugBank
ZINC
PDB chain7wih Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7wih Structural basis of the activation of metabotropic glutamate receptor 3.
Resolution3.68 Å
Binding residue
(original residue number in PDB)		R68 S149 Y150 A172 Y222 R277 S278 D279 D301
Binding residue
(residue number reindexed from 1)		R31 S89 Y90 A112 Y162 R217 S218 D219 D241
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001641 group II metabotropic glutamate receptor activity
GO:0004930 G protein-coupled receptor activity
GO:0005246 calcium channel regulator activity
GO:0008066 glutamate receptor activity
GO:0097110 scaffold protein binding
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007194 negative regulation of adenylate cyclase activity
GO:0007196 adenylate cyclase-inhibiting G protein-coupled glutamate receptor signaling pathway
GO:0007216 G protein-coupled glutamate receptor signaling pathway
GO:0007268 chemical synaptic transmission
GO:0010467 gene expression
GO:0033554 cellular response to stress
GO:0051966 regulation of synaptic transmission, glutamatergic
GO:0099170 postsynaptic modulation of chemical synaptic transmission
Cellular Component
GO:0005886 plasma membrane
GO:0014069 postsynaptic density
GO:0016020 membrane
GO:0030424 axon
GO:0042734 presynaptic membrane
GO:0043005 neuron projection
GO:0043197 dendritic spine
GO:0045211 postsynaptic membrane
GO:0097449 astrocyte projection
GO:0098978 glutamatergic synapse

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7wih, PDBe:7wih, PDBj:7wih
PDBsum7wih
PubMed35236939
UniProtQ14832|GRM3_HUMAN Metabotropic glutamate receptor 3 (Gene Name=GRM3)

[Back to BioLiP]