Structure of PDB 7pwe Chain B Binding Site BS01

Receptor Information
>7pwe Chain B (length=193) Species: 177439 (Desulfotalea psychrophila LSv54) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKIVLYSLTTCGFCQAIKKMFDDLAVGHLCIQADELTGEEKKQALRDLRK
VNPKCSFPTVVIDETVVVGPKIQEIKEKIGIRTEVDELYEVLKKKNEPKG
YYLNGDREKTFELIRGLLTNKKRYGYMACPCRLASGDRNNDRDIICPCLY
REPDVKEFGSCYCTLYVSADWYTGKIERQEVAERRPPEHYELD
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 chain7pwe Chain B Residue 200 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7pwe Crystal structure of the glutaredoxin/ferredoxin disulfide reductase fusion protein from Desulfotalea psychrophila Lsv54
Resolution2.077 Å
Binding residue
(original residue number in PDB)		C132 P133 R135 C149 C151 R154 C164 Y165 C166 L168
Binding residue
(residue number reindexed from 1)		C129 P130 R132 C146 C148 R151 C161 Y162 C163 L165
Annotation score1
Enzymatic activity
Enzyme Commision number 1.8.7.2: ferredoxin:thioredoxin reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016730 oxidoreductase activity, acting on iron-sulfur proteins as donors
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
GO:0103012 ferredoxin-thioredoxin reductase activity

View graph for
Molecular Function
External links
PDB RCSB:7pwe, PDBe:7pwe, PDBj:7pwe
PDBsum7pwe
PubMed
UniProtQ6AL91

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