Structure of PDB 7wi6 Chain A Binding Site BS01

Receptor Information

>7wi6 Chain A (length=723) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

REIKIEGDLVLGGLFPINEKRINEDRGIQRLEAMLFAIDEINKDDYLLPG
VKLGVHILDTCSRDTYALEQSLEFVRASLLIAGVIGGSYSSVSIQVANLL
RLFQIPQISYASTSAKLSDKSRYDYFARTVPPDFYQAKAMAEILRFFNWT
YVSTVASEGDYGETGIEAFEQEARLRNICIATAEKVGSYDSVIRELLQKP
NARVVVLFMRSDDSRELIAAASRANASFTWVASDGWGAQESIIKGSEHVA
YGAITLELASQPVRQFDRYFQSLNPYNNHRNPWFRDFWEQKFQCSLRVCD
KHLAIDSSNYEQESKIMFVVNAVYAMAHALHKMQRTLCPNTTKLCDAMKI
LDGKKLYKDYLLKINFTAPFNPNKDADSIVKFDTFGDGMGRYNVFNFQNV
GGKYSYLKVGHWAETLSLDVNSIHWSRNSVPTSQCSDPCAPNEMKNMQPG
DVCCWICIPCEPYEYLADEFTCMDCGSGQWPTADLTGCYDLPEDYIRWED
AWAIGPVTIACLGFMCTCMVVTVFIKHNNTPLVKASGRELCYILLFGVGL
SYCMTFFFIAKPSPVICALRRLGLGSSFAICYSALLTKTNCSSQVFICLG
LILVQIVMVSVWLILEAPGTRRYTLAEKRETVILKCNVKDSSMLISLTYD
VILVILCTVYAFPENFNEAKFIGFTMYTTCIIWLAFLPIFYVTSSDYRVQ
TTTMCISVSLSGFVVLGCLFAPK

Ligand information

Ligand ID

Z99

InChI

InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1

InChIKey

VLZBRVJVCCNPRJ-KPHUOKFYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc2c(c1)C(c3ccccc3O2)C[C@]([C@H]4C[C@@H]4C(=O)O)(C(=O)O)N
CACTVS 3.352	N[C@@](CC1c2ccccc2Oc3ccccc13)([C@H]4C[C@@H]4C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0	c1ccc2c(c1)C(c3ccccc3O2)CC(C4CC4C(=O)O)(C(=O)O)N
CACTVS 3.352	N[C](CC1c2ccccc2Oc3ccccc13)([CH]4C[CH]4C(O)=O)C(O)=O

Formula

C20 H19 N O5

Name

2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine;
(1S,2S)-2-[(2S)-2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid

PDB chain

7wi6 Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7wi6 Structural basis of the activation of metabotropic glutamate receptor 3.
Resolution	3.71 Å
Binding residue (original residue number in PDB)	R64 R68 S151 T174 Y222
Binding residue (residue number reindexed from 1)	R26 R30 S90 T113 Y161
Annotation score	1

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

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Cellular Component

External links

PDB	RCSB:7wi6, PDBe:7wi6, PDBj:7wi6
PDBsum	7wi6
PubMed	35236939
UniProt	Q14832\|GRM3_HUMAN Metabotropic glutamate receptor 3 (Gene Name=GRM3)

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