Structure of PDB 2j1u Chain B Binding Site BS01

Receptor Information
>2j1u Chain B (length=136) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLNIAYAKPTTQSSVDYNGDPNRAVDGNRNGNFNSGSVTHTRADNPSWWE
VDLKKMDKVGLVKIYNRTDAETQRLSNFDVILYDNNRNEVAKKHVNNLSG
ESVSLDFKEKGARYIKVKLLTSGVPLSLAEVEVFRE
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 chain2j1u Chain B Residue 1152 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2j1u Blood Group Antigen Recognition by a Streptococcus Pneumoniae Virulence Factor
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R37 D40 N42 S51 A143 E144
Binding residue
(residue number reindexed from 1)		R23 D26 N28 S37 A129 E130
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links