Structure of PDB 1h6y Chain B Binding Site BS01

Receptor Information
>1h6y Chain B (length=157) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDANGYYYHDTFEGSVGQWTARGPAEVLLSGRTAYKGSESLLVRNRTAAW
NGAQRALNPRTFVPGNTYCFSVVASFIEGASSTTFCMKLQYVDGSGTQRY
DTIDMKTVGPNQWVHLYNPQYRIPSDATDMYVYVATADDTINFYIDEAIG
AVAGTVI
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1h6y Chain B Residue 1161 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1h6y Clostridium Thermocellum Xyn10B Carbohydrate-Binding Module 22-2: The Role of Conserved Amino Acids in Ligand Binding
Resolution2.2 Å
Binding residue
(original residue number in PDB)		T14 E16 K39 E42 D149
Binding residue
(residue number reindexed from 1)		T11 E13 K36 E39 D146
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.8: endo-1,4-beta-xylanase.
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds

View graph for
Molecular Function
External links
PDB RCSB:1h6y, PDBe:1h6y, PDBj:1h6y
PDBsum1h6y
PubMed11478884
UniProtP51584|XYNY_ACETH Endo-1,4-beta-xylanase Y (Gene Name=xynY)

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