Structure of PDB 3bpu Chain A Binding Site BS01

Receptor Information
>3bpu Chain A (length=86) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMELITVHIVKGPMGFGFTIADSPGGGGQRVKQIVDRSRGLKEGDLIVEV
NKKNVQALTHNQVVDMLVESPKGSEVTLLVQRQTRL
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 chain3bpu Chain A Residue 902 [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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PDB3bpu Crystal structure of the 3rd PDZ domain of human membrane associated guanylate kinase, C677S and C709S double mutant.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H645 E714
Binding residue
(residue number reindexed from 1)		H8 E75
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3bpu, PDBe:3bpu, PDBj:3bpu
PDBsum3bpu
PubMed
UniProtQ96QZ7|MAGI1_HUMAN Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1 (Gene Name=MAGI1)

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