4IEH

Crystal Structure of human Bcl-2 in complex with a small molecule inhibitor targeting Bcl-2 BH3 domain interactions

Summary for 4IEH

• Entry DOI: 10.2210/pdb4ieh/pdb
• Descriptor: Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera, N-(6-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-1,1-dioxido-1,2-benzothiazol-3-yl)-4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonamide (3 entities in total)
• Functional Keywords: protein-protein interaction, alpha helical, pro-apoptosis, cytochrome c release, caspase activation, bim, bak, bad, puma, apoptosis-inhibitor complex, apoptosis/inhibitor
• Biological source: Homo sapiens (human); More
• Cellular location: Mitochondrion outer membrane ; Single-pass membrane protein : P10415
• Total number of polymer chains: 1
• Total formula weight: 20514.32

Authors

Xie, X.,Kulathila, R. (deposition date: 2012-12-13, release date: 2013-07-10, Last modification date: 2024-02-28)

• Primary citation: Toure, B.B.,Miller-Moslin, K.,Yusuff, N.,Perez, L.,Dore, M.,Joud, C.,Michael, W.,DiPietro, L.,van der Plas, S.,McEwan, M.,Lenoir, F.,Hoe, M.,Karki, R.,Springer, C.,Sullivan, J.,Levine, K.,Fiorilla, C.,Xie, X.,Kulathila, R.,Herlihy, K.,Porter, D.,Visser, M.; The role of the acidity of N-heteroaryl sulfonamides as inhibitors of bcl-2 family protein-protein interactions.; ACS Med Chem Lett, 4:186-190, 2013; PubMed: 24900652; DOI: 10.1021/ml300321d

Experimental method

X-RAY DIFFRACTION (2.1 Å)