Structure of PDB 4jwy Chain A Binding Site BS01

Receptor Information
>4jwy Chain A (length=269) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QHLTVATLEERPFVIVEPADPISGTCIRDSVPCRSQLNEKRCCKGFCIDI
LKRLAHTIGFSYDLYLVTNGKHGKKIDGVWNGMIGEVFYQRADMAIGSLT
INEERSEIVDFSVPFVETGISVMVARGTTVSGLSDRKFQRPQEQYPPLKF
GTVPNGSTEKNIRSNYPDMHSYMVRYNQPRVEEALTQLKAGKLDAFIYDA
AVLNYMARKDEGCKLVTIGSGKVFATTGYGIALHKGSRWKRPIDLALLQF
LGDDEIEMLERLWLSGICH
Ligand information
Ligand ID1N4
InChIInChI=1S/C8H13N3O3/c1-2-3-5-4-10-11(14)7(5)6(9)8(12)13/h4,6,14H,2-3,9H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeySSPXLOGHCJIQFQ-ZCFIWIBFSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(c1c(cnn1O)CCC)N
OpenEye OEToolkits 1.7.6CCCc1cnn(c1C(C(=O)O)N)O
CACTVS 3.370CCCc1cnn(O)c1[CH](N)C(O)=O
CACTVS 3.370CCCc1cnn(O)c1[C@@H](N)C(O)=O
OpenEye OEToolkits 1.7.6CCCc1cnn(c1[C@H](C(=O)O)N)O
FormulaC8 H13 N3 O3
Name(2R)-amino(1-hydroxy-4-propyl-1H-pyrazol-5-yl)ethanoic acid
ChEMBLCHEMBL444979
DrugBank
ZINCZINC000040829533
PDB chain4jwy Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jwy Structural determinants of agonist efficacy at the glutamate binding site of N-methyl-d-aspartate receptors.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H88 S114 T116 R121 G172 S173 T174 Y214
Binding residue
(residue number reindexed from 1)		H72 S98 T100 R105 G156 S157 T158 Y198
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015276 ligand-gated monoatomic ion channel activity
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:4jwy, PDBe:4jwy, PDBj:4jwy
PDBsum4jwy
PubMed23625947
UniProtQ62645|NMDE4_RAT Glutamate receptor ionotropic, NMDA 2D (Gene Name=Grin2d)

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