Structure of PDB 2j1t Chain A Binding Site BS02

Receptor Information
>2j1t Chain A (length=136) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNLNIAYAKPTTQSSVDYNGDPNRAVDGNRNGNFNSGSVTHTRADNPSWW
EVDLKKMDKVGLVKIYNRTDAETQRLSNFDVILYDNNRNEVAKKHVNNLS
GESVSLDFKEKGARYIKVKLLTSGVPLSLAEVEVFR
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 chain2j1t Chain A Residue 1154 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2j1t Blood Group Antigen Recognition by a Streptococcus Pneumoniae Virulence Factor
Resolution1.6 Å
Binding residue
(original residue number in PDB)		R37 D40 N42 S51 A143 E144
Binding residue
(residue number reindexed from 1)		R24 D27 N29 S38 A130 E131
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links