Brand  (β version)

PDB ID: 4APN

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Ligands
Code Name Style Show Link
FAD Flavin-adenine dinucleotide PoSSuM
JV0 4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine PoSSuM
NDP Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate PoSSuM
Non-standard Residues
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Structure summary

Code : 4APN   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Structure of TR from Leishmania infantum in complex with a diarylpirrole-based inhibitor
Release Data : 2013-04-17
Compound :
mol_id molecule chains
1 TRYPANOTHIONE REDUCTASE A,B
ec: 1.8.1.12
Source :
mol_id organism_scientific expression_system
1 LEISHMANIA INFANTUM  (taxid:5671) ESCHERICHIA COLI  (taxid:562)
expression_system_vector_type: PLASMID
expression_system_vector: PET28
Authors : Baiocco, P., Ilari, A., Colotti, G., Biava, M.
Keywords : OXIDOREDUCTASE, TRYPANOSOMATIDS
Exp. method : X-RAY DIFFRACTION ( 3.20 Å )
Citation :

Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography.

Baiocco, P.,Poce, G.,Alfonso, S.  et al.
(2013)  Chemmedchem  8 : 1175

PubMed: 23733388
DOI: 10.1002/CMDC.201300176

Reaction

Chain : A, B
UniProt : A4HSF7 (A4HSF7_LEIIN)
Reaction: EC: Evidence:
Physiological Direction:
NADP(+) + trypanothione = H(+) + NADPH + trypanothione disulfide 1.8.1.12 ARBA:ARBA00001054
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