Structure of PDB 3k1u Chain A Binding Site BS01

Receptor Information
>3k1u Chain A (length=314) Species: 1488 (Clostridium acetobutylicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ILNPIIIQRADPMIYKHNDGYYYFTASVPEYDRIEVRKAKTIEGLRNAEP
VDVWRRHESGEMSNLIWAPEIHFINGAWYIYFAAAPDKNIEDDTFNHRMF
VIQNENENPFTGNWVEKGRIKTAWESFSLDATIFEHNEKLYYVWAQQDIN
IKGHSNIYIAEMENPWTLKTKPVMLTKPELEWEIKGFWVNEGPAVLKKNG
KIFITYSASATDVNYCIGMLTAEENSNLLDKNSWTKSQTPVFKTSMENHQ
YGPGHNSFTVSEDGKHDVIVYHARNYTEIKGDPLYDPNRHTRAQIINWRE
DGTPDFGVPEVDSL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3k1u Chain A Residue 409 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3k1u X-ray crystal structure of beta-xylosidase, family 43 glycosyl hydrolase from Clostridium acetobutylicum at 1.55 A resolution
Resolution1.55 Å
Binding residue
(original residue number in PDB)		E75 H260
Binding residue
(residue number reindexed from 1)		E70 H255
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3k1u, PDBe:3k1u, PDBj:3k1u
PDBsum3k1u
PubMed
UniProtQ97IW1

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