Crystal structure of Mcl-1 in complex with compound 65

Summary for 6P3P

DescriptorInduced myeloid leukemia cell differentiation protein Mcl-1, methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate (3 entities in total)
Functional Keywordsmcl-1, biaryl sulfonamide inhibitor, apoptosis-apoptosis inhibitor complex, apoptosis/apoptosis inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight18441.3
Toms, A.V.,Follows, B. (deposition date: 2019-05-24, release date: 2019-07-03, Last modification date: 2019-08-21)
Primary citation
Follows, B.,Fessler, S.,Baumeister, T.,Campbell, A.M.,Zablocki, M.M.,Li, H.,Gotur, D.,Wang, Z.,Zheng, X.,Molz, L.,Nguyen, C.,Herbertz, T.,Wang, L.,Bair, K.
Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors.
Bioorg.Med.Chem.Lett., 29:2375-2382, 2019
PubMed: 31235261 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2019.06.008
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.22610 2.4% 0.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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