Structure of PDB 8bgo Chain K Binding Site BS01

Receptor Information
>8bgo Chain K (length=266) Species: 54262 (Thermococcus chitonophagus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FEEINDFETAFKRLLNEVLEFDLQNPLKDVKKVLCIEPHPDDCVIGMGGT
IKRLTDRGIEVIYICMTDGYMGTTDENITGHELAQIRRKEEEESAKMLGV
KKIYWLNYRDTELPYSREVRKDLVKIIRKEKPDGVFLPDPWLPYEAHPDH
RATGFLALDAVAFSPLPNFSNIDLDIGLKPHSVSFIGLYYTSRPNYFVDI
TDVMDLKLKAIRAHKSQFPDDIWETWEPFLRTVALYYGQKAGVKYAEGFR
IMPGLFYHITPFAELI
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 chain8bgo Chain K Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bgo Structural, Thermodynamic and Enzymatic Characterization of N , N -Diacetylchitobiose Deacetylase from Pyrococcus chitonophagus.
Resolution3.08 Å
Binding residue
(original residue number in PDB)		H40 D43 H151
Binding residue
(residue number reindexed from 1)		H39 D42 H150
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.136: N,N'-diacetylchitobiose non-reducing end deacetylase.
Gene Ontology
Molecular Function
GO:0016811 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8bgo, PDBe:8bgo, PDBj:8bgo
PDBsum8bgo
PubMed36555375
UniProtA0A160VQZ8

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