Structure of PDB 4cub Chain B Binding Site BS02

Receptor Information
>4cub Chain B (length=180) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQGANISDQWTGSELPLAFASDSNPSDPVSNVNDKLISYNNQPANRWTNW
NRSNPEASVGVLFGDSGILSKRSVDNLSVGFHEDHGVGAPKSYVIEYYVG
KTVPTAPKNPSFVGNEDHVFNDSANWKPVTNLKAPAQLKAGEMNHFSFDK
VETYAIRIRMVKADNKRGTSITEVQIFAKQ
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 chain4cub Chain B Residue 2645 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4cub Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		N1495 D1498 L1500 N1509 T1636 E1637
Binding residue
(residue number reindexed from 1)		N31 D34 L36 N45 T172 E173
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.23: beta-galactosidase.
External links