Structure of PDB 4dil Chain B Binding Site BS01

Receptor Information
>4dil Chain B (length=396) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPKIWTERIFDDPEIYVLRIDDDRIRYFEAVWEIPEGISYNAYLVKLNGA
NVLIDGWKGNYAKEFIDALSKIVDPKEITHIIVNHTEPDNSGSLPATLKT
IGHDVEIIASNFGKRLLEGFYGIKDVTVVKDGEEREIGGKKFKFVMTPWL
HWPDTMVTYLDGILFSCDVGGGYLLPEILDDSNESVVERYLPHVTKYIVT
VIGHYKNYILEGAEKLSSLKIKALLPGHGLIWKKDPQRLLNHYVSVAKGD
PKKGKVTVIYDSMYGFVENVMKKAIDSLKEKGFTPVVYKFSDEERPAISE
ILKDIPDSEALIFGVSTYEAEIHPLMRFTLLEIIDKANYEKPVLVFGVHG
WAPSRTAGELLKETKFRILSFTEIKGSNMDERKIEEAISLLKKELE
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 chain4dil Chain B Residue 402 [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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PDB4dil Histidine ligand variants of a flavo-diiron protein: effects on structure and activities.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H85 E87 D89 N90 H151 D168 H228
Binding residue
(residue number reindexed from 1)		H85 E87 D89 N90 H151 D168 H228
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) E29 H85 E87 D89 H151 D168 Y197 H228
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:4dil, PDBe:4dil, PDBj:4dil
PDBsum4dil
PubMed22990880
UniProtQ9WZL4

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