3T1G

Engineering of organophosphate hydrolase by computational design and directed evolution

Summary for 3T1G

Entry DOI	10.2210/pdb3t1g/pdb
Related	1A4L
Descriptor	organophosphate hydrolase, ZINC ION, CALCIUM ION, ... (4 entities in total)
Functional Keywords	computational design, directed evolution, tim beta/alpha-barrel, metallo-dependent hydrolase, organophosphate binding, hydrolysis, artificial enzyme, hydrolase
Biological source	Mus musculus (mouse)
Cellular location	Cell membrane; Peripheral membrane protein; Extracellular side (By similarity): P03958
Total number of polymer chains	1
Total formula weight	40482.39
Authors	Takeuchi, R.,Stoddard, B.L. (deposition date: 2011-07-21, release date: 2012-02-08, Last modification date: 2023-09-13)
Primary citation	Khare, S.D.,Kipnis, Y.,Greisen, P.J.,Takeuchi, R.,Ashani, Y.,Goldsmith, M.,Song, Y.,Gallaher, J.L.,Silman, I.,Leader, H.,Sussman, J.L.,Stoddard, B.L.,Tawfik, D.S.,Baker, D. Computational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysis. Nat.Chem.Biol., 8:294-300, 2012 Cited by PubMed: 22306579 DOI: 10.1038/nchembio.777 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.35 Å)

Structure validation