Structure of PDB 5lji Chain C Binding Site BS03

Receptor Information
>5lji Chain C (length=145) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALAKIVFASMTGNTEEIADIVADKLRDLGLDVDVDECTTVDASDFLEADI
AIVATYTYGDGELPDEMMDFYEDLADLNLNGKIYGVVGSGDTFYDEFCKA
VDDFDRVFVSTGAEKGSECVKVDLSAEEEDIERLEQFAEELAAKV
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 chain5lji Chain C Residue 206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5lji Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target.
Resolution2.07 Å
Binding residue
(original residue number in PDB)		D61 E63
Binding residue
(residue number reindexed from 1)		D60 E62
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0009055 electron transfer activity
GO:0010181 FMN binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5lji, PDBe:5lji, PDBj:5lji
PDBsum5lji
PubMed27649488
UniProtQ8DPG4

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