4ZX3

X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10b

Summary for 4ZX3

Related3EBG 4ZW3 4ZW5 4ZW6 4ZW7 4ZW8 4ZX4 4ZX5 4ZX6
DescriptorM1 family aminopeptidase, ZINC ION, N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-2,2-dimethylpropanamide, ... (6 entities in total)
Functional Keywordsm1 alanyl-aminopeptidase, protease, inhibitor, hydroxamic acid, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourcePlasmodium falciparum
Cellular locationCytoplasm O96935
Total number of polymer chains1
Total molecular weight104360.19
Authors
Drinkwater, N.,McGowan, S. (deposition date: 2015-05-20, release date: 2016-03-30, Last modification date: 2017-09-27)
Primary citation
Drinkwater, N.,Vinh, N.B.,Mistry, S.N.,Bamert, R.S.,Ruggeri, C.,Holleran, J.P.,Loganathan, S.,Paiardini, A.,Charman, S.A.,Powell, A.K.,Avery, V.M.,McGowan, S.,Scammells, P.J.
Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110:43-64, 2016
PubMed: 26807544 (PDB entries with the same primary citation)
DOI: 10.1016/j.ejmech.2016.01.015
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.211200.1%1.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution