Structure of PDB 3i9v Chain 2 Binding Site BS02

Receptor Information
>3i9v Chain 2 (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 IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3i9v Chain 2 Residue 206 [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]
PDB3i9v Structural basis for the mechanism of respiratory complex I
Resolution3.1 Å
Binding residue
(original residue number in PDB)		S68 V122 E123
Binding residue
(residue number reindexed from 1)		S66 V120 E121
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

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3i9v, PDBe:3i9v, PDBj:3i9v
PDBsum3i9v
PubMed19635800
UniProtQ56221|NQO2_THET8 NADH-quinone oxidoreductase subunit 2 (Gene Name=nqo2)

[Back to BioLiP]