3NXF

Robust computational design, optimization, and structural characterization of retroaldol enzymes

Summary for 3NXF

Entry DOI	10.2210/pdb3nxf/pdb
Related	3O6Y 3UD6
Descriptor	Retro-Aldolase, SULFATE ION (3 entities in total)
Functional Keywords	computationally designed, retroaldolase, tim barrel, lyase
Biological source	artificial gene
Total number of polymer chains	1
Total formula weight	29931.47
Authors	Althoff, E.A.,Jiang, L.,Wang, L.,Lassila, J.K.,Moody, J.,Bolduc, J.,Wang, Z.Z.,Smith, M.,Hari, S.,Herschlag, D.,Stoddard, B.L.,Baker, D. (deposition date: 2010-07-13, release date: 2011-06-29, Last modification date: 2023-09-06)
Primary citation	Wang, L.,Althoff, E.A.,Bolduc, J.,Jiang, L.,Moody, J.,Lassila, J.K.,Giger, L.,Hilvert, D.,Stoddard, B.,Baker, D. Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design. J.Mol.Biol., 415:615-625, 2012 Cited by PubMed: 22075445 DOI: 10.1016/j.jmb.2011.10.043 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation