Structure of PDB 1y5n Chain C Binding Site BS03

Receptor Information
>1y5n Chain C (length=217) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQFLNMFFFDIYPYIAGAVFLIGSWLRYDYGQYTWRAASSQMLDRKGMNL
ASNLFHIGILGIFVGHFFGMLTLPIEVAQKMAMFAGGASGVLCLIGGVLL
LKRRLFSPRVRATTTGADILILSLLVIQCALGLLTIPFSAQHMDGSEMMK
LVGWAQSVVTFHGGASQHLDGVAFIFRLHLVLGMTLFLLFPFSRLIHIWS
VPVEYLTRKYQLVRARH
Ligand information
Ligand IDPCI
InChIInChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKeyIZUPBVBPLAPZRR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O
ACDLabs 10.04Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl
CACTVS 3.341Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
FormulaC6 H Cl5 O
NamePENTACHLOROPHENOL
ChEMBLCHEMBL75967
DrugBank
ZINCZINC000001529471
PDB chain1y5n Chain C Residue 808 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1y5n Structural and Biochemical Characterization of a Quinol Binding Site of Escherichia coli Nitrate Reductase A
Resolution2.5 Å
Binding residue
(original residue number in PDB)		G65 H66 G69 A90 M156
Binding residue
(residue number reindexed from 1)		G65 H66 G69 A82 M148
Annotation score1
Binding affinityMOAD: Ki=57nM
Enzymatic activity
Enzyme Commision number 1.7.5.1: nitrate reductase (quinone).
Gene Ontology
Molecular Function
GO:0008940 nitrate reductase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0160182 nitrate reductase (quinone) activity
Biological Process
GO:0009061 anaerobic respiration
GO:0019645 anaerobic electron transport chain
GO:0042126 nitrate metabolic process
GO:0042128 nitrate assimilation
Cellular Component
GO:0005886 plasma membrane
GO:0009325 nitrate reductase complex
GO:0016020 membrane
GO:0044799 NarGHI complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1y5n, PDBe:1y5n, PDBj:1y5n
PDBsum1y5n
PubMed15615728
UniProtP11350|NARI_ECOLI Respiratory nitrate reductase 1 gamma chain (Gene Name=narI)

[Back to BioLiP]