Structure of PDB 2zex Chain A Binding Site BS04

Receptor Information
>2zex Chain A (length=147) Species: 44256 (Caldanaerobius polysaccharolyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAHMVNMVSNPGFEDGLDSWQDWQQDMSAVPEAAHNGALGLKIGGGKAAG
GGQDIPLKPNTTYILGAWAKFDSKPAGTFDVVVQYHLKDANNTYVQHILN
FNETDWTYKQLLFTTPDVFGSTPQLALWKGDTSKANLYVDDVYLVEV
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 chain2zex Chain A Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zex Molecular Basis for the Selectivity and Specificity of Ligand Recognition by the Family 16 Carbohydrate-binding Modules from Thermoanaerobacterium polysaccharolyticum ManA
Resolution1.2 Å
Binding residue
(original residue number in PDB)		G11 E13 N35 L38 D139
Binding residue
(residue number reindexed from 1)		G12 E14 N36 L39 D140
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds

View graph for
Molecular Function
External links
PDB RCSB:2zex, PDBe:2zex, PDBj:2zex
PDBsum2zex
PubMed18025086
UniProtQ9ZA17

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