Structure of PDB 8jcv Chain 3 Binding Site BS01

Receptor Information

>8jcv Chain 3 (length=751) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RREIKIEGDLVLGGLFPINEKGTGTEECGRINEDRGIQRLEAMLFAIDEI
NKDDYLLPGVKLGVHILDTCSRDTYALEQSLEFVRASLNIPLLIAGVIGG
SYSSVSIQVANLLRLFQIPQISYASTSAKLSDKSRYDYFARTVPPDFYQA
KAMAEILRFFNWTYVSTVASEGDYGETGIEAFEQEARLRNICIATAEKVG
RSNIRKSYDSVIRELLQKPNARVVVLFMRSDDSRELIAAASRANASFTWV
ASDGWGAQESIIKGSEHVAYGAITLELASQPVRQFDRYFQSLNPYNNHRN
PWFRDFWEQKFQCSLQNKRNHRRVCDKHLAIDSSNYEQESKIMFVVNAVY
AMAHALHKMQRTLCPNTTKLCDAMKILDGKKLYKDYLLKINFTAPFNPNK
DADSIVKFDTFGDGMGRYNVFNFQNVGGKYSYLKVGHWAETLSLDVNSIH
WSRNSVPTSQCSDPCAPNEMKNMQPGDVCCWICIPCEPYEYLADEFTCMD
CGSGQWPTADLTGCYDLPEDYIRWEDAWAIGPVTIACLGFMCTCMVVTVF
IKHNNTELCYILLFGVGLSYCMTFFFIAKPSPVICALRRLGLGSSFAICY
SALLTKTNCSPSSQVFICLGLILVQIVMVSVWLILEAPGTRRYTLAEKRE
TVILKCNVKDSSMLISLTYDVILVILCTVYAFKTRKCPENFNEAKFIGFT
MYTTCIIWLAFLPIFYVTSSDYRVQTTTMCISVSLSGFVVLGCLFAPKVH
I

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

8jcv Chain 3 Residue 2101 [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	8jcv Structural insights into dimerization and activation of the mGlu2-mGlu3 and mGlu2-mGlu4 heterodimers.
Resolution	3.4 Å
Binding residue (original residue number in PDB)	R64 S149 Y150 S151 A172 T174 D221 Y222
Binding residue (residue number reindexed from 1)	R35 S101 Y102 S103 A124 T126 D173 Y174
Annotation score	1

Enzymatic activity

Enzyme Commision number

2.7.11.1: non-specific serine/threonine protein kinase.

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:0044877	protein-containing complex binding
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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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:8jcv, PDBe:8jcv, PDBj:8jcv
PDBsum	8jcv
PubMed	37286794
UniProt	A0A8V8TRG9; Q14832\|GRM3_HUMAN Metabotropic glutamate receptor 3 (Gene Name=GRM3)

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