Structure of PDB 4wcj Chain A Binding Site BS01

Receptor Information
>4wcj Chain A (length=233) Species: 429009 (Ammonifex degensii KC4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
THLQGDGLVVLCYHRVLPSSRYAISRREFAQQLDYLRQVGVRFVTPQEAE
DYLAGRIHLPGKLVLVTFDDGDLSVYRHAFPVLKKRKIPFLFFVIAGQVG
RKWEGFSMCSWEQIKEMVASGLCVVGLHTYDLHYWDSQAKKPVFLLPGRE
RLFAEDTARGTACLKEHLGLKTRYFAYPYGFGTPTTDEILRTQGFSLVFT
LRAKVNRPGDAPFVGRVLVTPDSWPQVAAWAQA
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 chain4wcj Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wcj Structural Basis for the De-N-acetylation of Poly-beta-1,6-N-acetyl-d-glucosamine in Gram-positive Bacteria.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D115 H173 H178
Binding residue
(residue number reindexed from 1)		D70 H128 H133
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:4wcj, PDBe:4wcj, PDBj:4wcj
PDBsum4wcj
PubMed25359777
UniProtC9RCK9

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