Structure of PDB 1kqg Chain B Binding Site BS01

Receptor Information
>1kqg Chain B (length=289) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMETQDIIKRSATNSITPPSQVRDYKAEVAKLIDVSTCIGCKACQVACSE
WNDIRDEVGHCVGVYDNPADLSAKSWTVMRFSETEQNGKLEWLIRKDGCM
HCEDPGCLKACPSAGAIIQYANGIVDFQSENCIGCGYCIAGCPFNIPRLN
KEDNRVYKCTLCVDRVSVGQEPACVKTCPTGAIHFGTKKEMLELAEQRVA
KLKARGYEHAGVYNPEGVGGTHVMYVLHHADQPELYHGLPKDPKIDTSVS
LWKGALKPLAAAGFIATFAGLIFHYIGIGPNKEVDDDEE
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain1kqg Chain B Residue 805 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kqg Molecular basis of proton motive force generation: structure of formate dehydrogenase-N.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		C39 I40 G41 C42 K43 C45 M80 C179 P180 I184
Binding residue
(residue number reindexed from 1)		C38 I39 G40 C41 K42 C44 M79 C178 P179 I183
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.1.2: Transferred entry: 1.17.1.9.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0036397 formate dehydrogenase (quinone) activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006788 heme oxidation
GO:0009061 anaerobic respiration
GO:0015944 formate oxidation
GO:0019645 anaerobic electron transport chain
GO:0045333 cellular respiration
Cellular Component
GO:0005886 plasma membrane
GO:0009326 formate dehydrogenase complex
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:1kqg, PDBe:1kqg, PDBj:1kqg
PDBsum1kqg
PubMed11884747
UniProtP0AAJ3|FDNH_ECOLI Formate dehydrogenase, nitrate-inducible, iron-sulfur subunit (Gene Name=fdnH)

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