Structure of PDB 1dyo Chain B Binding Site BS01

Receptor Information
>1dyo Chain B (length=156) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDAGYYYHDTFEGSVGQWTARGPAEVLLSGRTAYKGSESLLVRNRTAAWN
GAQRALNPRTFVPGNTYCFSVVASFIEGASSTTFCMKLQYVDGSGTQRYD
TIDMKTVGPNQWVHLYNPQYRIPSDATDMYVYVETADDTINFYIDEAIGA
VAGTVI
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 chain1dyo Chain B Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1dyo The X6 Thermostabilising Domains of Xylanases are Carbohydrate Binding Modules: Structure and Biochemistry of the Clostridium Thermocellum X6B Domain
Resolution2.1 Å
Binding residue
(original residue number in PDB)		T14 E16 K39 E42 D149
Binding residue
(residue number reindexed from 1)		T10 E12 K35 E38 D145
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:1dyo, PDBe:1dyo, PDBj:1dyo
PDBsum1dyo
PubMed10819965
UniProtP51584|XYNY_ACETH Endo-1,4-beta-xylanase Y (Gene Name=xynY)

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