Structure of PDB 5tq2 Chain A Binding Site BS01

Receptor Information
>5tq2 Chain A (length=365) Species: 8355 (Xenopus laevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKIVNIGAVLSTKKHEQIFREAVNQANKRHFTRKIQLQATSVTHRPNAIQ
MALSVCEDLISSQVYAILVSHPPAPTDHLTPTPISYTAGFYRIPVIGLTT
RMSIYSDKSIHLSFLRTVPPYSHQALVWFEMMRLFNWNHVILIVSDDHEG
RAAQKKLETLLEGKADKVLQFEPGTKNLTALLLEAKELEARVIILSASED
DATAVYKSAAMLDMTGAGYVWLVGEREISGSALRYAPDGIIGLQLINGKN
ESAHISDAVAVVAQAIHELFEMENITDPPRGCVGNTNIWKTGPLFKRVLM
SSKYPDGVTGRIEFNEDGDRKFAQYSIMNLQNRKLVQVGIFNGSYIIQND
RKIIWPGGETEGTLV
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5tq2 Chain A Residue 501 [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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PDB5tq2 Molecular Basis for Subtype Specificity and High-Affinity Zinc Inhibition in the GluN1-GluN2A NMDA Receptor Amino-Terminal Domain.
Resolution3.289 Å
Binding residue
(original residue number in PDB)		H67 H94 D100
Binding residue
(residue number reindexed from 1)		H44 H71 D77
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5tq2, PDBe:5tq2, PDBj:5tq2
PDBsum5tq2
PubMed27916457
UniProtA0A1L8F5J9|NMDZ1_XENLA Glutamate receptor ionotropic, NMDA 1 (Gene Name=grin1)

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