Structure of PDB 7z0t Chain E Binding Site BS01

Receptor Information
>7z0t Chain E (length=532) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLGQHYLAALNEAFPGVVLDHAWQTKDQLTVTVKVNYLPEVVEFLYYKQG
GWLSVLFGNDERKLNGHYAVYYVLSMEKTKCWITVRVEVDANKPEYPSVT
PRVPAAVWGEREVRDMYGLIPVGLPDERRLVLPDDWPDELYPLRKDSMDY
RQRPAPTTDAETYEFINELGDKKNNVVPIGPLHVTSDEPGHFRLFVDGEN
IIDADYRLFYVHRGMEKLAETRMGYNEVTFLSDRVCGICGFAHSTAYTTS
VENAMGIQVPERAQMIRAILLEVERLHSHLLNLGLACHFTGFDSGFMQFF
RVRETSMKMAEILTGARKTYGLNLIGGIRRDLLKDDMIQTRQLAQQMRRE
VQELVDVLLSTPNMEQRTVGIGRLDPEIARDFSNVGPMVRASGHARDTRA
DHPFVGYGLLPMEVHSEQGCDVISRLKVRINEVYTALNMIDYGLDNLPGG
PLMVEGFTYIPHRFALGFAEAPRGDDIHWSMTGDNQKLYRWRCRAATYAN
WPTLRYMLRGNTVSDAPLIIGSLDPCYSCTDR
Ligand information
Ligand IDFCO
InChIInChI=1S/2CN.CO.Fe/c3*1-2;
InChIKeyVBQUCMTXYFMTTE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(#N)[Fe](=C=O)C#N
ACDLabs 10.04N#C\[Fe](C#N)=C=O
CACTVS 3.341O=C=[Fe](C#N)C#N
FormulaC3 Fe N2 O
NameCARBONMONOXIDE-(DICYANO) IRON
ChEMBL
DrugBank
ZINC
PDB chain7z0t Chain E Residue 602 [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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PDB7z0t Structure of the membrane-bound formate hydrogenlyase complex from Escherichia coli.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		C244 H248 A476 P477 R478 D481 A501 T502 C531 C534
Binding residue
(residue number reindexed from 1)		C239 H243 A471 P472 R473 D476 A496 T497 C526 C529
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0016151 nickel cation binding
GO:0016651 oxidoreductase activity, acting on NAD(P)H
GO:0048038 quinone binding
GO:0051287 NAD binding

View graph for
Molecular Function
External links
PDB RCSB:7z0t, PDBe:7z0t, PDBj:7z0t
PDBsum7z0t
PubMed36104349
UniProtP16431|HYCE_ECOLI Formate hydrogenlyase subunit 5 (Gene Name=hycE)

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