Structure of PDB 3ias Chain M Binding Site BS01

Receptor Information
>3ias Chain M (length=377) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTLNVGGVLRLMVTLSGEEVLEVVPHIGYLHTGFEKTMEHRTYLQNITYT
PRMDYLHSFAHDLAYALAVEKLLGAVVPPRAETIRVILNELSRLASHLVF
LGTGLLDLGALTPFFYAFRERETILDLFEWVTGQRFHHNYIRIGGVKEDL
PEEFVPELKKLLEVLPHRIDEYEALFAESPIFYERARGVGVIPPEVAIDL
GLTGGSLRASGVNYDVRKAYPYSGYETYTFDVPLGERGDVFDRMLVRIRE
MRESVKIIKQALERLEPGPVRDPNPQITPPPRHLLETSMEAVIYHFKHYT
EGFHPPKGEVYVPTESARGELGYYIVSDGGSMPYRVKVRAPSFVNLQSLP
YACKGEQVPDMVAIIASLDPVMGDVDR
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 chain3ias Chain O Residue 182 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ias Structural basis for the mechanism of respiratory complex I
Resolution3.15 Å
Binding residue
(original residue number in PDB)		R84 H169
Binding residue
(residue number reindexed from 1)		R52 H137
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

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3ias, PDBe:3ias, PDBj:3ias
PDBsum3ias
PubMed19635800
UniProtQ56220|NQO4_THET8 NADH-quinone oxidoreductase subunit 4 (Gene Name=nqo4)

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