Structure of PDB 1iss Chain B Binding Site BS01

Receptor Information
>1iss Chain B (length=452) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSVARMDGDVIIGALFSVHHQPPAEKVPERKCGEIREQYGIQRVEAMFHT
LDKINADPVLLPNITLGSEIRDSCWHSSVALEQSIEFIRDSLIKPIAGVI
GPGSSSVAIQVQNLLQLFDIPQIAYSATSIDLSDKTLYKYFLRVVPSDTL
QARAMLDIVKRYNWTYVSAVHTEGNYGESGMDAFKELAAQEGLCIAHSDK
IYSNAGEKSFDRLLRKLRERLPKARVVVCFCEGMTVRGLLSAMRRLGVVG
EFSLIGSDGWADRDEVIEGYEVEANGGITIKLQSPEVRSFDDYFLKLRLD
TNTRNPWFPEFWQHRFQCRLPGHLLENPNFKKVCTGNESLEENYVQDSKM
GFVINAIYAMAHGLQNMHHALCPGHVGLCDAMKPIDGRKLLDFLIKSSFV
GVSGEEVWFDEKGDAPGRYDIMNLQYTEANRYDYVHVGTWHEGVLNIDDY
KI
Ligand information
Ligand IDMCG
InChIInChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKeyDNCAZYRLRMTVSF-JTQLQIEISA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C](N)(C(O)=O)c1ccc(cc1)C(O)=O
OpenEye OEToolkits 1.5.0CC(c1ccc(cc1)C(=O)O)(C(=O)O)N
CACTVS 3.341C[C@@](N)(C(O)=O)c1ccc(cc1)C(O)=O
ACDLabs 10.04O=C(O)C(N)(c1ccc(C(=O)O)cc1)C
OpenEye OEToolkits 1.5.0C[C@](c1ccc(cc1)C(=O)O)(C(=O)O)N
FormulaC10 H11 N O4
Name(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE;
4-(1-AMINO-1-CARBOXY-ETHYL)-BENZOIC ACID
ChEMBLCHEMBL257626
DrugBankDB04256
ZINCZINC000002559035
PDB chain1iss Chain B Residue 2001 [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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PDB1iss Structural views of the ligand-binding cores of a metabotropic glutamate receptor complexed with an antagonist and both glutamate and Gd3+.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		Y74 W110 S165
Binding residue
(residue number reindexed from 1)		Y39 W75 S105
Annotation score1
Binding affinityBindingDB: Ki=>10000nM
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:1iss, PDBe:1iss, PDBj:1iss
PDBsum1iss
PubMed11867751
UniProtP23385|GRM1_RAT Metabotropic glutamate receptor 1 (Gene Name=Grm1)

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