6OQN

Crystal structure of Mcl1 with inhibitor 7

Summary for 6OQN

Related6O6G 6O6F 6OQB 6OQC 6OQD
DescriptorInduced myeloid leukemia cell differentiation protein Mcl-1, (4S)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3H,5H,14H-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15H,17H)-trione (3 entities in total)
Functional Keywordsapoptosis, protein-protein interaction, inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight36882.79
Authors
Huang, X. (deposition date: 2019-04-26, release date: 2019-05-15)
Primary citation
Caenepeel, S.,Brown, S.P.,Belmontes, B.,Moody, G.,Keegan, K.S.,Chui, D.,Whittington, D.A.,Huang, X.,Poppe, L.,Cheng, A.C.,Cardozo, M.,Houze, J.,Li, Y.,Lucas, B.,Paras, N.A.,Wang, X.,Taygerly, J.P.,Vimolratana, M.,Zancanella, M.,Zhu, L.,Cajulis, E.,Osgood, T.,Sun, J.,Damon, L.,Egan, R.K.,Greninger, P.,McClanaghan, J.D.,Gong, J.,Moujalled, D.,Pomilio, G.,Beltran, P.,Benes, C.H.,Roberts, A.W.,Huang, D.C.,Wei, A.,Canon, J.,Coxon, A.,Hughes, P.E.
AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8:1582-1597, 2018
PubMed: 30254093 (PDB entries with the same primary citation)
DOI: 10.1158/2159-8290.CD-18-0387
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.7 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.290110 1.5% 12.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6oqn
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Molmil generated image of 6oqn
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Molmil generated image of 6oqn
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More Biological unit images

Molmil generated image of 6oqn
no rotation
Molmil generated image of 6oqn
rotated about x axis by 90°
Molmil generated image of 6oqn
rotated about y axis by 90°
(*)In the case of coarse surface representation, the asymmetric unit is shown as red ribbon representation.
Coordinate files for Biological unit (6oqn.pdb1.gz [30.91 KB])
Coordinate files for Biological unit (6oqn.pdb2.gz [30.44 KB])