Structure of PDB 4m0c Chain A Binding Site BS02

Receptor Information
>4m0c Chain A (length=212) Species: 261594 (Bacillus anthracis str. 'Ames Ancestor') [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNKTLIINAHPKVDDTSSVSIKVFKHFLESYKELISNNETIEQINLYDDV
VPMIDKTVLSAWEKQGNGQELTREEQKVTERMSEILQQFKSANTYVIVLP
LHNFNIPSKLKDYMDNIMIARETFKYTETGSVGLLKDGRRMLVIQASGGI
YTNDDWYTDVEYSHKYLKAMFNFLGIEDYQIVRAQGTAVLDPTEVLQNAY
KEVEEAASRLAN
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4m0c Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4m0c The crystal structure of a FMN-dependent NADH-azoreductase from Bacillus anthracis str. Ames Ancestor in complex with FMN.
Resolution2.073 Å
Binding residue
(original residue number in PDB)		H26 E29
Binding residue
(residue number reindexed from 1)		H26 E29
Annotation score1
Enzymatic activity
Enzyme Commision number 1.6.5.-
1.7.1.17: FMN-dependent NADH-azoreductase.
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0009055 electron transfer activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0016652 oxidoreductase activity, acting on NAD(P)H as acceptor
GO:0016655 oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
Biological Process
GO:0008150 biological_process
Cellular Component
GO:0005575 cellular_component

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Cellular Component
External links
PDB RCSB:4m0c, PDBe:4m0c, PDBj:4m0c
PDBsum4m0c
PubMed
UniProtQ81UB2|AZOR1_BACAN FMN-dependent NADH:quinone oxidoreductase 1 (Gene Name=azoR1)

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