Structure of PDB 2j1a Chain A Binding Site BS02

Receptor Information
>2j1a Chain A (length=141) Species: 195103 (Clostridium perfringens ATCC 13124) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPRTVKITASSEETSGENAPASFASDGDMNTFWHSKWSSPAHEGPHHLTL
ELDNVYEINKVKYAPRQDSKNGRITGYKVSVSLDGENFTEVKTGTLEDNA
AIKFIEFDSVDAKYVRLDVTDSVSDQGRGKFATAAEVNVHG
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 chain2j1a Chain A Residue 1769 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2j1a The Interaction of a Carbohydrate-Binding Module from a Clostridium Perfringens N-Acetyl-Beta-Hexosaminidase with its Carbohydrate Receptor
Resolution1.49 Å
Binding residue
(original residue number in PDB)		F647 D650 D652 T655 A761 E762
Binding residue
(residue number reindexed from 1)		F23 D26 D28 T31 A135 E136
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.169: protein O-GlcNAcase.
External links
PDB RCSB:2j1a, PDBe:2j1a, PDBj:2j1a
PDBsum2j1a
PubMed16990278
UniProtQ0TR53|OGA_CLOP1 O-GlcNAcase NagJ (Gene Name=nagJ)

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