Structure of PDB 4hea Chain 2 Binding Site BS01

Receptor Information
>4hea 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 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 chain4hea Chain 2 Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hea Crystal structure of the entire respiratory complex I.
Resolution3.3027 Å
Binding residue
(original residue number in PDB)		C83 T85 C88 C124 L125 G126 S127 C128
Binding residue
(residue number reindexed from 1)		C81 T83 C86 C122 L123 G124 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

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4hea, PDBe:4hea, PDBj:4hea
PDBsum4hea
PubMed23417064
UniProtQ56221|NQO2_THET8 NADH-quinone oxidoreductase subunit 2 (Gene Name=nqo2)

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