Structure of PDB 5v8s Chain A Binding Site BS01

Receptor Information
>5v8s Chain A (length=399) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMPKIWTERIFDDPEIYVLRIDDDRIRYFEAVWEIPEGISYNAYLVKLNG
ANVLIDGWKGNYAKEFIDALSKIVDPKEITHIIVNHTEPDDSGSLPATLK
TIGHDVEIIASNFGKRLLEGFYGIKDVTVVKDGEEREIGGKKFKFVMTPW
LHWPDTMVTYLDGILFSCDVGGGYLLPEILDDSNESVVERYLPHVTKYIV
TVIGHYKNYILEGAEKLSSLKIKALLPGHGLIWKKDPQRLLNHYVSVAKG
DPKKGKVTVIYDSMYGFVENVMKKAIDSLKEKGFTPVVYKFSDEERPAIS
EILKDIPDSEALIFGVSTYEAEIHPLMRFTLLEIIDKANYEKPVLVFGVH
GWAPSAERTAGELLKETKFRILSFTEIKGSNMDERKIEEAISLLKKELE
Ligand information
Ligand IDFEO
InChIInChI=1S/2Fe.O
InChIKeyNPMYUMBHPJGBFA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Fe]O[Fe]
OpenEye OEToolkits 1.5.0O([Fe])[Fe]
FormulaFe2 O
NameMU-OXO-DIIRON
ChEMBL
DrugBank
ZINC
PDB chain5v8s Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5v8s Flavo Di-iron protein H90D Mutant from Thermotoga Maritima
Resolution1.41 Å
Binding residue
(original residue number in PDB)		H85 E87 D89 D90 H151 D168 H228
Binding residue
(residue number reindexed from 1)		H86 E88 D90 D91 H152 D169 H229
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E29 H85 E87 D89 H151 D168 Y197 H228
Catalytic site (residue number reindexed from 1) E30 H86 E88 D90 H152 D169 Y198 H229
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5v8s, PDBe:5v8s, PDBj:5v8s
PDBsum5v8s
PubMed
UniProtQ9WZL4

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