Structure of PDB 8e9g Chain D Binding Site BS01

Receptor Information
>8e9g Chain D (length=406) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGERIVVNMGPQHPSTHGVLRLILEIEGEIITEARCGIGYLHTGIEKNLE
YRNWTQGVTFVTRMDYLSPFFNETAYCLGVEKLLGITDDIPERASVIRVM
LMELNRISSHLVALATGGMELGAMSAMFYGFREREEILRVFESITGLRMN
HAYIRPGGLAADLPDDAITQVRRLVEILPKRLKDLEDLLNENYIWKARTV
GVGYLDLTGCMALGITGPILRSTGLPHDLRKAQPYCGYENYEFDVITDDR
CDSYGRYIIRVKEMHESVKIVEQCLARLKPGPVMISDKKLAWPADLKLGP
DGLGNSPEHIAKIMGRSMEGLIHHFKLVTEGIRVPPGQVYVAVESPRGEL
GVHMVSDGGTRPYRVHYRDPSFTNLQAVAATCEGGMVADAIAAVASIDPV
MGGVDR
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 B Residue 201 [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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PDB8e9g Structure of mycobacterial respiratory complex I.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		R99 N186
Binding residue
(residue number reindexed from 1)		R63 N150
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.-
Gene Ontology
Molecular Function
GO:0016651 oxidoreductase activity, acting on NAD(P)H
GO:0048038 quinone binding
GO:0050136 NADH:ubiquinone reductase (non-electrogenic) activity
GO:0051287 NAD binding
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8e9g, PDBe:8e9g, PDBj:8e9g
PDBsum8e9g
PubMed36952383
UniProtA0QU33|NUOD_MYCS2 NADH-quinone oxidoreductase subunit D (Gene Name=nuoD)

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