Structure of PDB 5c0q Chain B Binding Site BS01

Receptor Information
>5c0q Chain B (length=457) Species: 2337 (Thermotoga neapolitana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVDLGKLFFCGFDDFNEEAREVIQKYRPAGVLIYPGVLSKEYLFLDFMNF
LSRNGRFIVSSDHEGGQLEVLKYVPSFPGNLAAGKVDPVFTGRYCEMAGR
IMNTLGFNMVFAPVLDLLSEKGSVDLRSFGSDPEVVASHGMEACMGYFKG
GVIPCIKHFPGHGKTADDSHYLLPTVNASFEELWREDLLPFRRIFQSRVK
TAVMTAHVKYPAVDDLPATLSKKLITEVLREKLNFKGLVLSDAMEMKAIS
ENFSVEEAVRFFIEAGGNMILLDNFRDLPVYYESLKKLIEDGSIERGKVE
RSIKIVDEYLSALENRFNSGLIAEVAERAIECTRMRKELLGREVVLLVPS
NTTGDDYDLIPEVAKRFFKVRDVIRYDIEAGPDDVDGELIFDFVVNASKN
EQVLQAHLSLPSDRTIYFIIRNPFDAKFFPGRSVVITHSTKPISVYKSFQ
HLLGRCS
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 chain5c0q Chain A Residue 1010 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5c0q Crystal structure of beta-N-acetylglucosaminidase CbsA from Thermotoga neapolitana
Resolution2.499 Å
Binding residue
(original residue number in PDB)		E334 H448
Binding residue
(residue number reindexed from 1)		E331 H438
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.52: beta-N-acetylhexosaminidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009254 peptidoglycan turnover

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Molecular Function
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Biological Process
External links
PDB RCSB:5c0q, PDBe:5c0q, PDBj:5c0q
PDBsum5c0q
PubMed26187666
UniProtQ9AG27

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