Structure of PDB 4a6o Chain B Binding Site BS03

Receptor Information
>4a6o Chain B (length=144) Species: 1502 (Clostridium perfringens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMASANYVNIAENKNVSGSNSQSGNPLSNITDGDLSSLWISDNGAMPA
NATIDLEGNNFVDFLELHFEKEGFRFQFKVEVEDESGNRETVLDMTSNTE
DNKKSYNIPVKKEISKIHATITGKAPGGSFDQAWAAIAEIKAMS
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 chain4a6o Chain B Residue 2345 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4a6o Carbohydrate Recognition by an Architecturally Complex Alpha-N-Acetylglucosaminidase from Clostridium Perfringens.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		N1230 D1233 D1235 S1238 A1337 E1338
Binding residue
(residue number reindexed from 1)		N31 D34 D36 S39 A138 E139
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.50: alpha-N-acetylglucosaminidase.
External links