6FS2

MCL1 in complex with indole acid ligand

Summary for 6FS2

• Entry DOI: 10.2210/pdb6fs2/pdb
• Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, 7-(2-methylphenyl)-3-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]-1~{H}-indole-2-carboxylic acid (3 entities in total)
• Functional Keywords: mcl1, indole acid, immune system
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 36932.07

Authors

Hargreaves, D. (deposition date: 2018-02-18, release date: 2018-12-26, Last modification date: 2019-10-02)

• Primary citation: Tron, A.E.,Belmonte, M.A.,Adam, A.,Aquila, B.M.,Boise, L.H.,Chiarparin, E.,Cidado, J.,Embrey, K.J.,Gangl, E.,Gibbons, F.D.,Gregory, G.P.,Hargreaves, D.,Hendricks, J.A.,Johannes, J.W.,Johnstone, R.W.,Kazmirski, S.L.,Kettle, J.G.,Lamb, M.L.,Matulis, S.M.,Nooka, A.K.,Packer, M.J.,Peng, B.,Rawlins, P.B.,Robbins, D.W.,Schuller, A.G.,Su, N.,Yang, W.,Ye, Q.,Zheng, X.,Secrist, J.P.,Clark, E.A.,Wilson, D.M.,Fawell, S.E.,Hird, A.W.; Discovery of Mcl-1-specific inhibitor AZD5991 and preclinical activity in multiple myeloma and acute myeloid leukemia.; Nat Commun, 9:5341-5341, 2018; PubMed: 30559424; DOI: 10.1038/s41467-018-07551-w

Experimental method

X-RAY DIFFRACTION (2.55 Å)