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

Summary for 4LUZ

Related4LUV 4LUO 4LWC 4LW1
DescriptorReplication protein A 70 kDa DNA-binding subunit, 5-(4-{[4-(5-carboxyfuran-2-yl)benzyl]oxy}phenyl)-1-(3-methylphenyl)-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)
Cellular locationNucleus  P27694
Total number of polymer chains1
Total molecular weight13992.22
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: 2013-07-25, release date: 2013-12-11, Last modification date: 2014-12-10)
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 outliers0.23540.8%0.9%3.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 4luz
no rotation
Molmil generated image of 4luz
rotated about x axis by 90°
Molmil generated image of 4luz
rotated about y axis by 90°