Structure of PDB 7q5y Chain D Binding Site BS01

Receptor Information
>7q5y Chain D (length=197) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLSRKDYLNILESILFIDFLKGLSVTLKNLLRRPITTEYPKEKLTPPKRF
RGAHGHYVWDGTEPDSLKAIEKFMSYEKAKSRCVACYMCQTACPMPTLFR
IEAVQLPNGKKKVVRFDMNLLNCLFCGLCVDACPVGCLTMTDIFELANYS
RRNEVLRMEDLEKFAIDFKQRRGNEPDRIWPNDEEREKLWGKIEWSG
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 chain7q5y Chain D Residue 301 [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]
PDB7q5y Structure of NADH:ubichinon oxidoreductase (complex I) of the hyperthermophilic eubacterium Aquifex aeolicus
Resolution2.7 Å
Binding residue
(original residue number in PDB)		H58 C97 P98 F103 C127 L128 F129 C130 G131 C133
Binding residue
(residue number reindexed from 1)		H54 C93 P94 F99 C123 L124 F125 C126 G127 C129
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.-
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016651 oxidoreductase activity, acting on NAD(P)H
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0050136 NADH:ubiquinone reductase (non-electrogenic) activity
GO:0051539 4 iron, 4 sulfur cluster binding
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7q5y, PDBe:7q5y, PDBj:7q5y
PDBsum7q5y
PubMed
UniProtO67337|NUOI1_AQUAE NADH-quinone oxidoreductase subunit I (Gene Name=nuoI)

[Back to BioLiP]