Literature summary for 3.5.1.88 extracted from

Manhas, A.; Kumar, S.; Kumar, P.; Jha, P.
Molecular modeling of Plasmodium falciparum peptide deformylase and structure-based pharmacophore screening for inhibitors (2016), RSC Adv., 6, 29466-29485 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
(2R)-2-[(N-hydroxyformamido)methyl]hexanoic acid	the proteolyzed fragment is bound to the active site	Plasmodium falciparum
(2S)-6-amino-2-[(2S)-2-[(hydroxyamino) methyl]hexanamido]-N-phenylhexanamide	the acid hydrolyzed fragment, which exists as a dimer, is characterized as an intersubunit molecule	Plasmodium falciparum
(2S)-6-amino-2-[(2S)-2-[(N-hydroxyformamido)methyl]hexanamido]-N-phenyl hexanamide	-	Plasmodium falciparum
2-amino-N-[4-(2,5-dimethoxyphenyl)butyl]ethane-1-sulfonamide	CAP05909402, docking into PfPDF-Co2+-actinonin complex	Plasmodium falciparum
4-amino-3-[[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl]-6-methyl-1,2,4-triazin-5(4H)-one	CAP01891052, docking into PfPDF-Co2+-actinonin complex	Plasmodium falciparum
actinonin	modeling of effects of metal ions (Co2+, Zn2+, Ni2+ and Fe2+) on enzyme binding, overview. The PfPDF-Co2+-actinonin inhibitor complex is the energetically favorable structure, structure comparisons	Plasmodium falciparum
methyl (3R)-3-[2-(4-carbamoylpiperidin-1-yl)acetamido]-4-chloro-3H-indole-2-carboxylate	IBS297042, docking into PfPDF-Co2+-actinonin complex	Plasmodium falciparum
methyl 3-[(8-methyl-2,3-dihydrofuro[3,2-e]imidazo[1,2-c]pyrimidine-9-carbonyl)amino]thiophene-2-carboxylate	CD1691700, docking into PfPDF-Co2+-actinonin complex	Plasmodium falciparum
additional information	structure-based pharmacophore screening with PfPDF-Co2+-actinonin complex, modeling, and ADME (adsorption, distribution, metabolism, and excretion) properties determination. Model validation. Inhibitor docking study, overview	Plasmodium falciparum
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetamide	VIT1024538, docking into PfPDF-Co2+-actinonin complex	Plasmodium falciparum

Metals/Ions

Metals/Ions	Comment	Organism	Structure
Co2+	activates	Plasmodium falciparum
Fe2+	required, Fe2+ cofactor ion exhibits tetrahedral ligation to Cys156, His198, His202 and W1	Plasmodium falciparum

Organism

Organism	UniProt	Comment	Textmining
Plasmodium falciparum	Q8I372	-	-
Plasmodium falciparum isolate 3D7	Q8I372	-	-

Synonyms

Synonyms	Comment	Organism
PDF	-	Plasmodium falciparum
PfPDF	-	Plasmodium falciparum

General Information

General Information	Comment	Organism
additional information	proposed catalytic mechanism of PfPDF, detailed overview	Plasmodium falciparum

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Release 2023.1 (January 2023)