Structure of PDB 8bal Chain A Binding Site BS01

Receptor Information
>8bal Chain A (length=345) Species: 700598 (Niastella koreensis GR20-10) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QFEWNKLPVKAMLLTVPHPEDVPEFCRFIKEVLPKEGVNTLVLRIRYNYK
FKSHPELAGERAISEQQLKQIVQTCKEAKIRFIPKMNLLGHQSDRDHIDP
LLAKYPQFDESPDYNPPVPWKFDFYCKSLCPSHPDLLKTIFPLMDELIDV
CGADAFHVGLDEVWILGYEKCPRCGGRDKAALFAEYATKLHDHLKEKKCQ
MWMWSDRLIDGKTTNLLGWQASMNATFRAIDLIPTDIMICDWKYESAPPT
PGYFAIKGFNVLPSSCSNSEVALAQLAQVRLARKDGTRAPWAVTLAERMQ
GVFVTMWEDSKEFIDAYYGRNGKKLPSAETFKAVFAQIRKEEVMN
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 chain8bal Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bal Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Resolution2.27 Å
Binding residue
(original residue number in PDB)		E141 C165 C206 C209
Binding residue
(residue number reindexed from 1)		E110 C130 C171 C174
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
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8bal, PDBe:8bal, PDBj:8bal
PDBsum8bal
PubMed
UniProtG8TKW6

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