Structure of PDB 8e9h Chain G Binding Site BS04

Receptor Information
>8e9h Chain G (length=782) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVEMVSLTIDDHEISVPKGTLLIRAAELMGIQIPRFCDHPLLDPVGACRQ
CLVEVEGQRKPMASCTTTVMPDMVVRTQFTSEAADKAQRGVMELLLINHP
LDCPICDKGGECPLQNQAMSNGRPETRFEDVKRTFPKPISISSQVLLDRE
RCVLCARCTRFSSQIAGDPFIDLMERGALQQVGIGQDKPFQSYFSGNTVQ
ICPVGALTGTAYRFRARPFDLVSSPSVCEHCASGCAQRTDHRRGKVLRRL
AGDEPEVNEEWNCDKGRWAFTYATVGDRITTPMLRDGGVLRPASWSEALT
VAAAGLLTAAGSTGVLVGGRCTVEDAYAYAKFARMVLNTNDVDFRARPHS
AEEAEFLAAHVAGQTMGLRYAELENAPTVLLAGFEPEEESPIVFLRLRKG
VRKNGVQVVAVAPWASRGLTKLAGTVVPTVPGDEPAALDGMHDDDRLRRP
GAVILVGERLATSPGALSAAVRLAAATGARLAWIPRRAGERGAIEAGALP
NLLPGGRPVDDADARAEVARAWYISALPEAPGRDTAAILSTAASGHLAAL
LVGGVELGDLPDPELAVAAVRTTPFVVSLELRESAVTELADVVFPVAPVV
EKAGSFLNWEGRPRPFAPSLKTNAIPDLRVLHYLADEIGVDLALPTAEAA
DAELAQLGTWGGARPPAPTAPPTARPEAGSGQAVLASWRMLLDAGRLQDG
EPHLAGTAVRPVARMSAATAAGIGASDGAPVTVSTERGAVTLPLAVTDMP
DGVVWLPMNSPGSAVHQRLGVTAGAVVSIGAG
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 chain8e9h 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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PDB8e9h Structure of mycobacterial respiratory complex I.
Resolution2.7 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)		C152 V153 L154 C155 A156 R157 C158 C202 P203 A206 L207
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
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Cellular Component
External links
PDB RCSB:8e9h, PDBe:8e9h, PDBj:8e9h
PDBsum8e9h
PubMed36952383
UniProtA0QU30

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