Structure of PDB 2vr0 Chain C Binding Site BS05

Receptor Information
>2vr0 Chain C (length=144) Species: 882 (Nitratidesulfovibrio vulgaris str. Hildenborough) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVLGGATLGVVALATVAFGMKYTDQRPFCTSCHIMNPVGVTHKLSGHANI
SCNDCHAPHNLLAKLPFKAIAGARDVYMNTLGHPGDLILAGMETKEVVNA
NCKACHTMTNVEVASMEAKKYCTDCHRNVQHMRMKPISTREVAD
Ligand information
Ligand IDHQO
InChIInChI=1S/C16H21NO2/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17(13)19/h7-8,10-12,18H,2-6,9H2,1H3
InChIKeyNZPACTGCRWDXCJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCc1cc(O)c2ccccc2[n+]1[O-]
OpenEye OEToolkits 1.5.0CCCCCCCc1cc(c2ccccc2[n+]1[O-])O
ACDLabs 10.04[O-][n+]2c1ccccc1c(O)cc2CCCCCCC
FormulaC16 H21 N O2
Name2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE;
2-HEPTYL-1-OXY-QUINOLIN-4-OL
ChEMBLCHEMBL1233401
DrugBankDB07918
ZINCZINC000001529909
PDB chain2vr0 Chain C Residue 1005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vr0 Quinol Oxidation by C-Type Cytochromes: Structural Characterization of the Menaquinol Binding Site of Nrfha.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		F42 N67 K82 A85 G86 D89
Binding residue
(residue number reindexed from 1)		F28 N53 K68 A71 G72 D75
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.42,Ki=38uM
Enzymatic activity
Enzyme Commision number 1.10.2.-
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0009061 anaerobic respiration
GO:0019333 denitrification pathway
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2vr0, PDBe:2vr0, PDBj:2vr0
PDBsum2vr0
PubMed18597779
UniProtQ72EF4|NRFH_NITV2 Cytochrome c nitrite reductase subunit NrfH (Gene Name=DVU_0624)

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