4JLL

Crystal Structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1 covalently bound with FP-alkyne, Northeast Structural Genomics Consortium (NESG) Target OR273

Summary for 4JLL

• Entry DOI: 10.2210/pdb4jll/pdb
• Related: 4JCA
• Descriptor: Evolved variant of computationally designed serine hydrolase OSH55.4_H1, ethyl (R)-{10-[(hept-6-yn-1-ylcarbamoyl)oxy]decyl}phosphonofluoridate, CHLORIDE ION, ... (7 entities in total)
• Functional Keywords: structural genomics, psi-biology, protein structure initiative, northeast structural genomics consortium (nesg), osh55.4_h1, ser hydrolase, unknown function
• Biological source: synthetic construct
• Total number of polymer chains: 1
• Total formula weight: 18849.81

Authors

Kuzin, A.,Lew, S.,Rajagopalan, S.,Seetharaman, J.,Tong, S.,Everett, J.K.,Acton, T.B.,Baker, D.,Montelione, G.T.,Tong, L.,Hunt, J.F.,Northeast Structural Genomics Consortium (NESG) (deposition date: 2013-03-12, release date: 2013-04-10, Last modification date: 2023-09-20)

• Primary citation: Rajagopalan, S.,Wang, C.,Yu, K.,Kuzin, A.P.,Richter, F.,Lew, S.,Miklos, A.E.,Matthews, M.L.,Seetharaman, J.,Su, M.,Hunt, J.F.,Cravatt, B.F.,Baker, D.; Design of activated serine-containing catalytic triads with atomic-level accuracy.; Nat.Chem.Biol., 10:386-391, 2014; PubMed: 24705591; DOI: 10.1038/nchembio.1498

Experimental method

X-RAY DIFFRACTION (1.36 Å)