Structure of PDB 8e9i Chain F Binding Site BS03

Receptor Information
>8e9i Chain F (length=435) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPLTPVLSRFWDEPEPWTLETYRRHDGYQGLQRALSMGPDDVIAFVKDSG
LRGRGGAGFPTGTKWSFIPQERGDQPAGGPAAKPHYLVINADESEPGTCK
DIPLLLTTPHFLVEGAIIAAYAIRARHAFIYVRGEVLPVLRRLQAAVAEA
YAAGYLGTDIMGSGFDLDLIVHAGAGAYICGEETALLDSLEGRRGQPRLR
PPFPAVAGLYACPTVVNNVESIASVPPIMVNGVDWFRSMGSEKSPGFTLY
SLSGHVTRPGQYEAPLGITLRELLEYAGGVRAGHQLKFWTPGGSSTPLLT
AEHLDVPLDYEGMASVGSMLGTKALQIFDETTCVVRAVRRWTQFYAHESC
GKCTPCREGTYWLAQIYARLENGAGTEADIDKLLDISDNIFGKSFCALGD
GAASPIMSSIKHFRDEYVAHLDGGCPFDPHASTLM
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 F Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8e9i Structure of mycobacterial respiratory complex I.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		P198 C351 G352 K353 C354 C357 S395 F396 C397 L399 G400
Binding residue
(residue number reindexed from 1)		P197 C350 G351 K352 C353 C356 S394 F395 C396 L398 G399
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.-
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0051287 NAD binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0045333 cellular respiration
GO:1902600 proton transmembrane transport
Cellular Component
GO:0045271 respiratory chain complex I

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8e9i, PDBe:8e9i, PDBj:8e9i
PDBsum8e9i
PubMed36952383
UniProtA0QU31

[Back to BioLiP]