3U13

Crystal Structure of de Novo design of cystein esterase ECH13 at the resolution 1.6A, Northeast Structural Genomics Consortium Target OR51

Summary for 3U13

• Entry DOI: 10.2210/pdb3u13/pdb
• Related: 1Q92
• Descriptor: artificial protein OR51, PHOSPHATE ION, MAGNESIUM ION, ... (6 entities in total)
• Functional Keywords: structural genomics, psi-biology, protein structure initiative, northeast structural genomics consortium, nesg, ech13, hydrolase
• Biological source: synthetic construct
• Total number of polymer chains: 1
• Total formula weight: 24537.35

Authors

Kuzin, A.,Su, M.,Seetharaman, J.,Sahdev, S.,Xiao, R.,Kohan, E.,Richter, F.,Everett, J.K.,Acton, T.B.,Baker, D.,Montelione, G.T.,Hunt, J.F.,Tong, L.,Northeast Structural Genomics Consortium (NESG) (deposition date: 2011-09-29, release date: 2011-11-23, Last modification date: 2023-12-06)

• Primary citation: Richter, F.,Blomberg, R.,Khare, S.D.,Kiss, G.,Kuzin, A.P.,Smith, A.J.,Gallaher, J.,Pianowski, Z.,Helgeson, R.C.,Grjasnow, A.,Xiao, R.,Seetharaman, J.,Su, M.,Vorobiev, S.,Lew, S.,Forouhar, F.,Kornhaber, G.J.,Hunt, J.F.,Montelione, G.T.,Tong, L.,Houk, K.N.,Hilvert, D.,Baker, D.; Computational design of catalytic dyads and oxyanion holes for ester hydrolysis.; J.Am.Chem.Soc., 134:16197-16206, 2012; PubMed: 22871159; DOI: 10.1021/ja3037367

Experimental method

X-RAY DIFFRACTION (1.6 Å)