Structure of PDB 4nf5 Chain B Binding Site BS01

Receptor Information
>4nf5 Chain B (length=273) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NHLSIVTLEEAPFVIVEDICVRNTVPCRKFVKINNSTNEGMNVKKCCKGF
CIDILKKLSRTVKFTYDLYLVTNGKHGKKVNNVWNGMIGEVVYQRAVMAV
GSLTINEERSEVVDFSVPFVETGISVMVSRGTQVTGLSDKKFQRPHDYSP
PFRFGTVPNGSTERNIRNNYPYMHQYMTRFNQRGVEDALVSLKTGKLDAF
IYDAAVLNYKAGRDEGCKLVTIGSGYIFATTGYGIALQKGSPWKRQIDLA
LLQFVGDGEMEELETLWLTGICH
Ligand information
Ligand ID2JJ
InChIInChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m1/s1
InChIKeyVOROEQBFPPIACJ-SCSAIBSYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385N[CH](CCC[P](O)(O)=O)C(O)=O
CACTVS 3.385N[C@H](CCC[P](O)(O)=O)C(O)=O
ACDLabs 12.01O=P(O)(O)CCCC(N)C(=O)O
OpenEye OEToolkits 1.7.6C(C[C@H](C(=O)O)N)CP(=O)(O)O
OpenEye OEToolkits 1.7.6C(CC(C(=O)O)N)CP(=O)(O)O
FormulaC5 H12 N O5 P
Name5-phosphono-D-norvaline
ChEMBLCHEMBL84612
DrugBank
ZINCZINC000001854170
PDB chain4nf5 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nf5 Structural Insights into Competitive Antagonism in NMDA Receptors.
Resolution1.903 Å
Binding residue
(original residue number in PDB)		H88 S114 L115 T116 R121 G172 S173 T174 Y214
Binding residue
(residue number reindexed from 1)		H76 S102 L103 T104 R109 G160 S161 T162 Y202
Annotation score1
Binding affinityBindingDB: Ki=390nM
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:4nf5, PDBe:4nf5, PDBj:4nf5
PDBsum4nf5
PubMed24462099
UniProtQ00959|NMDE1_RAT Glutamate receptor ionotropic, NMDA 2A (Gene Name=Grin2a)

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