Structure of PDB 6gaq Chain A Binding Site BS02

Receptor Information
>6gaq Chain A (length=146) Species: 226900 (Bacillus cereus ATCC 14579) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKILIAYASMSGNTESIADLIKVSLDAFDHEVVLQEMEGMDAEELLAYDG
IILGSYTWGDGELPFEAEDFHDDLENIDLAGKKVAVFGSGDTAYELFCEA
VTIFEERLVERGAELVQEGLKIELAPEDEEDVEKCSNFAIAFAEKF
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 chain6gaq Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6gaq The Characterization of Different Flavodoxin Reductase-Flavodoxin (FNR-Fld) Interactions Reveals an Efficient FNR-Fld Redox Pair and Identifies a Novel FNR Subclass.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D136 E138
Binding residue
(residue number reindexed from 1)		D128 E130
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:6gaq, PDBe:6gaq, PDBj:6gaq
PDBsum6gaq
PubMed30142264
UniProtQ81AM1

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