Structure of PDB 6i1p Chain 6 Binding Site BS01

Receptor Information
>6i1p Chain 6 (length=166) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REGILFTTLEKLVAWGRSNSLWPATFGLACCAIEMMASTDARNDLARFGS
EVFRASPRQADVMIVAGRLSKKMAPVMRRVWEQMPDPKWVISMGACASSG
GMFNNYAIVQNVDSVVPVDVYVPGCPPRPEALIYAVMQLQKKVRGQAYNE
RGERLPPVAAWKRTRG
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 chain6i1p Chain 6 Residue 201 [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]
PDB6i1p Key role of quinone in the mechanism of respiratory complex I.
Resolution3.207 Å
Binding residue
(original residue number in PDB)		C45 C46 G82 A110 C111 C140 P141
Binding residue
(residue number reindexed from 1)		C30 C31 G67 A95 C96 C125 P126
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.-
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0050136 NADH:ubiquinone reductase (non-electrogenic) activity
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009060 aerobic respiration
GO:0015990 electron transport coupled proton transport
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6i1p, PDBe:6i1p, PDBj:6i1p
PDBsum6i1p
PubMed32811817
UniProtQ56218|NQO6_THET8 NADH-quinone oxidoreductase subunit 6 (Gene Name=nqo6)

[Back to BioLiP]