3KME

Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor

Summary for 3KME

• Entry DOI: 10.2210/pdb3kme/pdb
• Related: 1bkc 2fv9 3KMC 3ewj
• Related PRD ID: PRD_000919
• Descriptor: TNF-alpha-converting enzyme, ZINC ION, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... (6 entities in total)
• Functional Keywords: a disintegrin and metalloproteinase domain 17, tnf-alpha-converting enzyme, tnf-alpha convertase, snake venom-like protease, cleavage on pair of basic residues, glycoprotein, membrane, metal-binding, metalloprotease, notch signaling pathway, phosphoprotein, protease, zymogen, hydrolase
• Biological source: Homo sapiens (human)
• Cellular location: Membrane; Single-pass type I membrane protein: P78536
• Total number of polymer chains: 2
• Total formula weight: 62119.16

Authors

Orth, P. (deposition date: 2009-11-10, release date: 2009-12-22, Last modification date: 2023-09-06)

• Primary citation: Rosner, K.E.,Guo, Z.,Orth, P.,Shipps, G.W.,Belanger, D.B.,Chan, T.Y.,Curran, P.J.,Dai, C.,Deng, Y.,Girijavallabhan, V.M.,Hong, L.,Lavey, B.J.,Lee, J.F.,Li, D.,Liu, Z.,Popovici-Muller, J.,Ting, P.C.,Vaccaro, H.,Wang, L.,Wang, T.,Yu, W.,Zhou, G.,Niu, X.,Sun, J.,Kozlowski, J.A.,Lundell, D.J.,Madison, V.,McKittrick, B.,Piwinski, J.J.,Shih, N.Y.,Arshad Siddiqui, M.,Strickland, C.O.; The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.; Bioorg.Med.Chem.Lett., 20:1189-1193, 2009; PubMed: 20022498; DOI: 10.1016/j.bmcl.2009.12.004

Experimental method

X-RAY DIFFRACTION (1.85 Å)