Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions

Summary for 4O0A

Related4luv 4lwc 4lwi 4luz 4luo
DescriptorReplication protein A 70 kDa DNA-binding subunit, 5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid (3 entities in total)
Functional Keywordsob-fold, protein-protein interaction, dna binding protein-inhibitor complex, dna binding protein/inhibitor
Biological sourceHomo sapiens (human)
Total number of polymer chains1
Total molecular weight14110.51
Feldkamp, M.D.,Frank, A.O.,Kennedy, J.P.,Waterson, A.G.,Olejniczak, E.T.,Pelz, N.F.,Patrone, J.D.,Vangamudi, B.,Camper, D.V.,Rossanese, O.W.,Fesik, S.W.,Chazin, W.J. (deposition date: 2013-12-13, release date: 2014-01-08, Last modification date: 2018-10-10)
Primary citation
Frank, A.O.,Feldkamp, M.D.,Kennedy, J.P.,Waterson, A.G.,Pelz, N.F.,Patrone, J.D.,Vangamudi, B.,Camper, D.V.,Rossanese, O.W.,Chazin, W.J.,Fesik, S.W.
Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J. Med. Chem., 56:9242-9250, 2013
PubMed: 24147804 (PDB entries with the same primary citation)
DOI: 10.1021/jm401333u
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.1754 1.7% 0.9% 3.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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