Structure of PDB 2fje Chain D Binding Site BS02

Receptor Information
>2fje Chain D (length=149) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSFVNPEKCDGCKALERTACEYICPNDLMTLDKEKMKAYNREPDMCWECY
SCVKMCPQGAIDVRGYVDYSPLGGACVPMRGTSDIMWTVKYRNGKVLRFK
FAIRTTPWGSIQPFEGFPEPTEEALKSELLAGEPEIIGTSEFPQVKKKA
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain2fje Chain D Residue 3110 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fje Reaction mechanism of the iron-sulfur flavoenzyme adenosine-5'-phosphosulfate reductase based on the structural characterization of different enzymatic states
Resolution1.8 Å
Binding residue
(original residue number in PDB)		C2710 D2711 G2712 C2713 C2721 A2739 C2757 I2762
Binding residue
(residue number reindexed from 1)		C9 D10 G11 C12 C20 A38 C56 I61
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) W2748
Catalytic site (residue number reindexed from 1) W47
Enzyme Commision number 1.8.99.2: adenylyl-sulfate reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:2fje, PDBe:2fje, PDBj:2fje
PDBsum2fje
PubMed16503650
UniProtO28604

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