Structure of PDB 4cu9 Chain B Binding Site BS01

Receptor Information
>4cu9 Chain B (length=185) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVPRGSHMNPNYDENSNQAFASATNDIDKNSHDRVDYLNDGDHSENRRWT
NWSPTPSSNPEVSAGVIFRENGKIVERTVAQAKLHFFADSGTDAPSKLVL
ERYVGPGFEVPTYYSNYQAYESGHPFNNPENWEAVPYRADKDIAAGDEIN
VTFKAVKAKAMRWRMERKADKSGVAMIEMTFLAPS
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 chain4cu9 Chain B Residue 2998 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4cu9 Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa.
Resolution1.83 Å
Binding residue
(original residue number in PDB)		Y1849 D1852 D1854 I1989 E1990
Binding residue
(residue number reindexed from 1)		Y37 D40 D42 I177 E178
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.23: beta-galactosidase.
External links