Structure of PDB 3ias Chain B Binding Site BS01

Receptor Information
>3ias Chain B (length=178) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FFDDKQDFLEETFAKYPPEGRRAAIMPLLRRVQQEEGWIRPERIEEIARL
VGTTPTEVMGVASFYSYYQFVPTGKYHLQVCATLSCKLAGAEELWDYLTE
TLGIGPGEVTPDGLFSVQKVECLGSCHTAPVIQVNDEPYVECVTRARLEA
LLAGLRAGKRLEEIELPGKCGHHVHEVE
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain3ias Chain B 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)		C83 S87 C88 C124 L125 S127 C128
Binding residue
(residue number reindexed from 1)		C81 S85 C86 C122 L123 S125 C126
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.-
Gene Ontology
Molecular Function
GO:0003954 NADH dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0051537 2 iron, 2 sulfur cluster binding
Cellular Component
GO:0005886 plasma membrane
GO:0045271 respiratory chain complex I

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Molecular Function
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Cellular Component
External links
PDB RCSB:3ias, PDBe:3ias, PDBj:3ias
PDBsum3ias
PubMed19635800
UniProtQ56221|NQO2_THET8 NADH-quinone oxidoreductase subunit 2 (Gene Name=nqo2)

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