Structure of PDB 3egw Chain B Binding Site BS01

Receptor Information
>3egw Chain B (length=509) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIRSQVGMVLNLDKAIGCHTCSVTCKNVWTSREGVEYAWFNNVETKPGQ
GFPTDWENQEKYKGGWIRKINGKLQPRMGNRAMLLGKIFANPHLPGIDDY
YEPFDFDYQNLHTAPEGSKSQPIARPRSLITGERMAKIEKGPNWEDDLGG
EFDKLAKDKNFDNIQKAMYSQFENTFMMYLPRLCEHCLNPACVATCPSGA
IYKREEDGIVLIDQDKCRGWRMCITGCPYKKIYFNWKSGKSEKCIFCYPR
IEAGQPTVCSETCVGRIRYLGVLLYDADAIERAASTENEKDLYQRQLDVF
LDPNDPKVIEQAIKDGIPLSVIEAAQQSPVYKMAMEWKLALPLHPEYRTL
PMVWYVPPLSPIQSAADAGELGSNGILPDVESLRIPVQYLANLLTAGDTK
PVLRALKRMLAMRHYKRAETVDGKVDTRALEEVGLTEAQAQEMYRYLAIA
NYEDRFVVPSSHRELAREAFPEKNGCGFTFGDGCHGSDTKFNLFNSRRID
AIDVTSKTE
Ligand information
Ligand IDF3S
InChIInChI=1S/3Fe.4S
InChIKeyFCXHZBQOKRZXKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385S1[Fe]S[Fe]2S[Fe]1S2
OpenEye OEToolkits 2.0.7S1[Fe]2S[Fe]3[S]2[Fe]1S3
FormulaFe3 S4
NameFE3-S4 CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain3egw Chain B Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3egw When width is more important than height: Barriers to electron transfer in E.coli nitrate reductase
Resolution1.9 Å
Binding residue
(original residue number in PDB)		I17 G18 C19 H20 C22 P181 C263 G265 R268
Binding residue
(residue number reindexed from 1)		I17 G18 C19 H20 C22 P181 C263 G265 R268
Annotation score1
Enzymatic activity
Enzyme Commision number 1.7.5.1: nitrate reductase (quinone).
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008940 nitrate reductase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051538 3 iron, 4 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster 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

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3egw, PDBe:3egw, PDBj:3egw
PDBsum3egw
PubMed
UniProtP11349|NARH_ECOLI Respiratory nitrate reductase 1 beta chain (Gene Name=narH)

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