Structure of PDB 2wnx Chain A Binding Site BS01

Receptor Information
>2wnx Chain A (length=157) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPDANASISVSYKCGVKDGTKNTIRATINIKNTGTTPVNLSDIKVRYWFT
SDGNEQNNFVCDYAAFGTDKVKGIVKKIENSVPGADTYCEISFTEDAGRL
APGGSTGTIPFRIEGAAEYDQTDDYSYNSEMSDDFGDNTKITAYIKDKLK
YGVEAAA
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 chain2wnx Chain A Residue 1163 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wnx Structure of a Family 3B' Carbohydrate-Binding Module from the Cel9V Glycoside Hydrolase from Clostridium Thermocellum: Structural Diversity and Implications for Carbohydrate Binding
Resolution1.31 Å
Binding residue
(original residue number in PDB)		T55 D57 D125 D128 D129
Binding residue
(residue number reindexed from 1)		T50 D52 D120 D123 D124
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0030248 cellulose binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2wnx, PDBe:2wnx, PDBj:2wnx
PDBsum2wnx
PubMed20057047
UniProtA3DJ30

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