Structure of PDB 1dfx Chain A Binding Site BS01

Receptor Information
>1dfx Chain A (length=125) Species: 876 (Desulfovibrio desulfuricans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKHLEVYKCTHCGNIVEVLHGGGAELVCCGEPMKHMVEGSTDGAMEKHVP
VIEKVDGGYLIKVGSVPHPMEEKHWIEWIELLADGRSYTKFLKPGDAPEA
FFAIDASKVTAREYCNLHGHWKAEN
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0
[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain1dfx Chain A Residue 131 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1dfx Preliminary Crystallographic Analysis of the Oxidized Form of a Two Mono-Nuclear Iron Centres Protein from Desulfovibrio Desulfuricans Atcc 27774
Resolution1.9 Å
Binding residue
(original residue number in PDB)
C9 C12 C28 C29
Binding residue
(residue number reindexed from 1)
C9 C12 C28 C29
Annotation score5
Enzymatic activity
Enzyme Commision number 1.15.1.2: superoxide reductase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050605 superoxide reductase activity
Biological Process
GO:0009636 response to toxic substance
GO:0019430 removal of superoxide radicals

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Molecular Function

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Biological Process
External links
PDB RCSB:1dfx, PDBe:1dfx, PDBj:1dfx
PDBsum1dfx
PubMed
UniProtP22076|DFX_DESDA Desulfoferrodoxin (Gene Name=dfx)

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