Structure of PDB 1kqf Chain A Binding Site BS01

Receptor Information
>1kqf Chain A (length=982) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QARNYKLLRAKEIRNTCTYCSVGCGLLMYSLGDGAKNAREAIYHIEGDPD
HPVSRGALCPKGAGLLDYVNSENRLRYPEYRAPGSDKWQRISWEEAFSRI
AKLMKADRDANFIEKNEQGVTVNRWLSTGMLCASGASNETGMLTQKFARS
LGMLAVDNQARVCHGPTVASLAPTFGRGAMTNHWVDIKNANVVMVMGGNA
AEAHPVGFRWAMEAKNNNDATLIVVDPRFTRTASVADIYAPIRSGTDITF
LSGVLRYLIENNKINAEYVKHYTNASLLVRDDFAFEDGLFSGYDAEKRQY
DKSSWNYQLDENGYAKRDETLTHPRCVWNLLKEHVSRYTPDVVENICGTP
KADFLKVCEVLASTSAPDRTTTFLYALGWTQHTVGAQNIRTMAMIQLLLG
NMGMAGGGVNALRGHSNIQGLTDLGLLSTSLPGYLTLPSEKQVDLQSYLE
ANTPKATLADQVNYWSNYPKFFVSLMKSFYGDAAQKENNWGYDWLPKWDQ
TYDVIKYFNMMDEGKVTGYFCQGFNPVASFPDKNKVVSCLSKLKYMVVID
PLVTETSTFWQNHGESNDVDPASIQTEVFRLPSTCFAEEDGSIANSGRWL
QWHWKGQDAPGEARNDGEILAGIYHHLRELYQSEGGKGVEPLMKMSWNYK
QPHEPQSDEVAKENNGYALEDLYDANGVLIAKKGQLLSSFAHLRDDGTTA
SSCWIYTGSWTEQGNQMANRDNSDPSGLGNTLGWAWAWPLNRRVLYNRAS
ADINGKPWDPKRMLIQWNGSKWTGNDIPDFGNAAPGTPTGPFIMQPEGMG
RLFAINKMAEGPFPEHYEPIETPLGTNPLHPNVVSNPVVRLYEQDALRMG
KKEQFPYVGTTYRLTEHFHTWTKHALLNAIAQPEQFVEISETLAAAKGIN
NGDRVTVSSKRGFIRAVAVVTRRLKPLNVNGQQVETVGIPIHWGFEGVAR
KGYIANTLTPNVGDANSQTPEYKAFLVNIEKA
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 chain1kqf Chain A Residue 1017 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1kqf Molecular basis of proton motive force generation: structure of formate dehydrogenase-N.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		C50 C53 V55 C57 L91 C92 G95 V239
Binding residue
(residue number reindexed from 1)		C17 C20 V22 C24 L58 C59 G62 V206
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K94 C196 H197 L410 R446 G447 H448
Catalytic site (residue number reindexed from 1) K61 C163 H164 L377 R413 G414 H415
Enzyme Commision number 1.17.5.3: formate dehydrogenase-N.
Gene Ontology
Molecular Function
GO:0008863 formate dehydrogenase (NAD+) activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0043546 molybdopterin cofactor binding
GO:0047111 formate dehydrogenase (cytochrome-c-553) activity
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0045333 cellular respiration

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1kqf, PDBe:1kqf, PDBj:1kqf
PDBsum1kqf
PubMed11884747
UniProtP24183|FDNG_ECOLI Formate dehydrogenase, nitrate-inducible, major subunit (Gene Name=fdnG)

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