Structure of PDB 5jmu Chain A Binding Site BS01

Receptor Information
>5jmu Chain A (length=220) Species: 515619 (Agathobacter rectalis ATCC 33656) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPAATADTVNPGNKIIYLTFDDGPGKYTQGLLDVLDKYNVKATFFVTNTH
PDYQNMIAEEAKRGHTVAIHSASHKYNQIYTSEQAFFDDLEQMNSIIKAQ
TGNDASIIRFPGGSSNTVSKDYCPGIMTQLVNDVTARGLLYCDWNVSSGD
ANPKPISTEQVVQNVISGVQSHNVSVVLQHDIKEFSVNAVEQIIQWGQAN
GYTFLPLTTSSPMSHHRVNN
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 chain5jmu Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5jmu The crystal structure of the catalytic domain of peptidoglycan N-acetylglucosamine deacetylase from Eubacterium rectale ATCC 33656 (CASP target)
Resolution1.54 Å
Binding residue
(original residue number in PDB)		D298 H346 H350
Binding residue
(residue number reindexed from 1)		D22 H70 H74
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5jmu, PDBe:5jmu, PDBj:5jmu
PDBsum5jmu
PubMed
UniProtC4ZEZ9

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