Structure of PDB 8e9g Chain G Binding Site BS04

Receptor Information
>8e9g 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 chain8e9g Chain G Residue 804 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8e9g Structure of mycobacterial respiratory complex I.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		C163 V164 L165 C166 A167 R168 C169 C213 P214 A217 L218
Binding residue
(residue number reindexed from 1)		C151 V152 L153 C154 A155 R156 C157 C201 P202 A205 L206
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

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8e9g, PDBe:8e9g, PDBj:8e9g
PDBsum8e9g
PubMed36952383
UniProtA0QU30

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