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

Summary for 4LWC

Related4LUV 4LWI 4LUZ 4LUO
DescriptorReplication protein A 70 kDa DNA-binding subunit, 5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-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)
Cellular locationNucleus  P27694
Total number of polymer chains1
Total molecular weight14080.61
Feldkamp, M.D.,Frank, A.O.,Kennedy, J.P.,Waterson, A.G.,Olejnczak, E.O.,Pelz, N.F.,Patrone, J.D.,Vangamudi, B.,Camper, D.V.,Rossanese, O.W.,Fesik, S.W.,Chazin, W.J. (deposition date: 2013-07-26, release date: 2013-12-11, Last modification date: 2017-11-22)
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 outliers0.215200.9%3.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

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