Structure of PDB 8e9i Chain G Binding Site BS05

Receptor Information
>8e9i Chain G (length=780) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEMVSLTIDDHEISVPKGTLLIRAAELMGIQIPRFCDHPLLDPVGACRQC
LVEVEGQRKPMASCTTTVMPDMVVRTQFTSEAADKAQRGVMELLLINHPL
DCPICDKGGECPLQNQAMSNGRPETRFEDVKRTFPKPISISSQVLLDRER
CVLCARCTRFSSQIAGDPFIDLMERGALQQVGIGQDKPFQSYFSGNTVQI
CPVGALTGTAYRFRARPFDLVSSPSVCEHCASGCAQRTDHRRGKVLRRLA
GDEPEVNEEWNCDKGRWAFTYATVGDRITTPMLRDGGVLRPASWSEALTV
AAAGLLTAAGSTGVLVGGRCTVEDAYAYAKFARMVLNTNDVDFRARPHSA
EEAEFLAAHVAGQTMGLRYAELENAPTVLLAGFEPEEESPIVFLRLRKGV
RKNGVQVVAVAPWASRGLTKLAGTVVPTVPGDEPAALDGMHDDDRLRRPG
AVILVGERLATSPGALSAAVRLAAATGARLAWIPRRAGERGAIEAGALPN
LLPGGRPVDDADARAEVARAWYISALPEAPGRDTAAILSTAASGHLAALL
VGGVELGDLPDPELAVAAVRTTPFVVSLELRESAVTELADVVFPVAPVVE
KAGSFLNWEGRPRPFAPSLKTNAIPDLRVLHYLADEIGVDLALPTAEAAD
AELAQLGTWGGARPPAPTAPPTARPEAGSGQAVLASWRMLLDAGRLQDGE
PHLAGTAVRPVARMSAATAAGIGASDGAPVTVSTERGAVTLPLAVTDMPD
GVVWLPMNSPGSAVHQRLGVTAGAVVSIGA
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 chain8e9i Chain G Residue 805 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8e9i Structure of mycobacterial respiratory complex I.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		C239 C242 S244 C246 N273 C274 G277 P402 I403
Binding residue
(residue number reindexed from 1)		C227 C230 S232 C234 N261 C262 G265 P390 I391
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.-
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0016491 oxidoreductase activity
GO:0016651 oxidoreductase activity, acting on NAD(P)H
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0042773 ATP synthesis coupled electron transport
GO:1902600 proton transmembrane transport
Cellular Component
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:8e9i, PDBe:8e9i, PDBj:8e9i
PDBsum8e9i
PubMed36952383
UniProtA0QU30

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