Structure of PDB 6brm Chain D Binding Site BS01

Receptor Information
>6brm Chain D (length=261) Species: 554 (Pectobacterium carotovorum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLTQIRNATLVLQYAGKKFLIDPMLAEKEAWDGFAGSARPHLRNPMVAL
PVPVEDLLAVDAVILTHTHTDHWDEAAQQAVPKDMLIYTQDEKDAALIRS
QGFFNIRVLKDENHFVDGLTIYKTDGQHGSNELYADAQLGDLLGDACGLV
FTHHDEKTIYIAGDTVWVKPYVKSLQRFKPEIVVLNTGYAVNDLYGPIIM
GKEDTLRTLKMLPTATIVASHMESINHCLLTRAELREFSLEHGIEDKILI
PADGETMAFSA
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 chain6brm Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6brm Functional Profiling and Crystal Structures of Isothiocyanate Hydrolases Found in Gut-Associated and Plant-Pathogenic Bacteria.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		H72 D164 H221
Binding residue
(residue number reindexed from 1)		H72 D164 H221
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6brm, PDBe:6brm, PDBj:6brm
PDBsum6brm
PubMed29752272
UniProtA0A0N7FW12

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