Structure of human Mcl-1 in complex with indole acid inhibitor

Summary for 6QFQ

Related6qfi 6qfm
DescriptorInduced myeloid leukemia cell differentiation protein Mcl-1, 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid (3 entities in total)
Functional Keywordsapoptosis, mcl1, bcl2, small molecule inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight20372.17
Primary citation
Murray, J.,Davidson, J.,Chen, I.,Dokurno, P.,Davis, B.,Graham, C.J.,Harris, R.,Jordan, A.M.,Matassova, N.,Pedder, C.,Ray, S.,Roughley, S.,Smith, J.,Walmsley, C.,Wang, Y.,Whitehead, N.,Williamson, D.S.,Casara, P.,Le Diguarher, T.,Hickman, J.,Stark, J.,Kotschy, A.,Geneste, O.,Hubbard, R.E.
Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1
Acs Omega, 2019
DOI: 10.1021/acsomega.9b00611
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.21580 4.6% 6.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

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