Structure of PDB 5cyb Chain A Binding Site BS02

Receptor Information
>5cyb Chain A (length=89) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPVAQPTDIDGTYTGQDDGDRITLVVTGTTGTWTELESDGDQKVKQVTLD
SANQRMIIGDDVKIYTVNGNQIVVDDMDRDPSDQIVLTK
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 chain5cyb Chain A Residue 205 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5cyb Unraveling the function and structure of a lipocalin lipoprotein affecting virulence in Streptococcus pneumoniae
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D141 D143
Binding residue
(residue number reindexed from 1)		D78 D80
Annotation score4
External links