Structure of PDB 7mtq Chain B Binding Site BS01

Receptor Information
>7mtq Chain B (length=744) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVLTLEGDLVLGGLFPVHQKPAEDCGPVNEHRGIQRLEAMLFALDRINRD
PHLLPGVRLGAHILDSCSKDTHALEQALDFVRASLPTAITGVIGGSYSDV
SIQVANLLRLFQIPQISYASTSAKLSDKSRYDYFARTVPPDFFQAKAMAE
ILRFFNWTYVSTVASEGDYGETGIEAFELEARARNICVATSEKVGRAMSR
AAFEGVVRALLQKPSARVAVLFTRSEDARELLAASQRLNASFTWVASDGW
GALESVVAGSEGAAEGAITIELASYPISDFASYFQSLDPWNNSRNPWFRE
FWEQRFRCSFRQRDCAAHSLRAVPFEQESKIMFVVNAVYAMAHALHNMHR
ALCPNTTRLCDAMRPVNGRRLYKDFVLNVKFDAPFRPADTHNEVRFDRFG
DGIGRYNIFTYLRAGGRYRYQKVGYWAEGLTLDTSLIPWASPSAGPLPAS
RCSEPLQNEVKSVQPEVCCWLCIPQPYERLDEFTCADGLGPNASLTGCFE
LPQEYIRWGDWAVGPVTIACLGALATLFVLGVFVRHNTVVKASGRELCYI
LLGGVFLCYCMTFIFIAKPSTAVCTLRRLGLGTAFSVCYSALLTKTNRIA
RIFFISPASQVAICLALISGQLLIVVAWLVVEAPGTTAPEVVTLRCNHRD
ASMLGSLAYNVLLIALCTLYAFKTRKCPENFNEAKFIGFTMYTTCIIWLA
FLPIFYVTSSDYRVQTTTMCVSVSLSGSVVLGCLFAPKLHIILF
Ligand information
Ligand IDZ99
InChIInChI=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
InChIKeyVLZBRVJVCCNPRJ-KPHUOKFYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)C(c3ccccc3O2)C[C@]([C@H]4C[C@@H]4C(=O)O)(C(=O)O)N
CACTVS 3.352N[C@@](CC1c2ccccc2Oc3ccccc13)([C@H]4C[C@@H]4C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0c1ccc2c(c1)C(c3ccccc3O2)CC(C4CC4C(=O)O)(C(=O)O)N
CACTVS 3.352N[C](CC1c2ccccc2Oc3ccccc13)([CH]4C[CH]4C(O)=O)C(O)=O
FormulaC20 H19 N O5
Name2-[(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
ChEMBLCHEMBL432038
DrugBank
ZINCZINC000003826602
PDB chain7mtq Chain B Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7mtq G-protein activation by a metabotropic glutamate receptor.
Resolution3.65 Å
Binding residue
(original residue number in PDB)		R57 Y144 S145 A166 T168 Y216
Binding residue
(residue number reindexed from 1)		R32 Y97 S98 A119 T121 Y169
Annotation score1
Binding affinityBindingDB: Ki=3.13nM,IC50=200nM,EC50=>100000nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7mtq, PDBe:7mtq, PDBj:7mtq
PDBsum7mtq
PubMed34194039
UniProtQ14416|GRM2_HUMAN Metabotropic glutamate receptor 2 (Gene Name=GRM2)

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