1B0E

CRYSTAL STRUCTURE OF PORCINE PANCREATIC ELASTASE WITH MDL 101,146

Summary for 1B0E

Entry DOI	10.2210/pdb1b0e/pdb
Descriptor	PROTEIN (ELASTASE), CALCIUM ION, 1-{3-METHYL-2-[4-(MORPHOLINE-4-CARBONYL)-BENZOYLAMINO]-BUTYRYL}-PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-AMIDE, ... (4 entities in total)
Functional Keywords	serine protease, fluoroethyl ketones, hydrolase
Biological source	Sus scrofa (pig)
Cellular location	Secreted: P00772
Total number of polymer chains	1
Total formula weight	26600.73
Authors	Schreuder, H.A.,Metz, W.A.,Peet, N.P.,Pelton, J.T.,Tardif, C. (deposition date: 1998-11-09, release date: 1998-11-18, Last modification date: 2023-08-09)
Primary citation	Cregge, R.J.,Durham, S.L.,Farr, R.A.,Gallion, S.L.,Hare, C.M.,Hoffman, R.V.,Janusz, M.J.,Kim, H.O.,Koehl, J.R.,Mehdi, S.,Metz, W.A.,Peet, N.P.,Pelton, J.T.,Schreuder, H.A.,Sunder, S.,Tardif, C. Inhibition of human neutrophil elastase. 4. Design, synthesis, X-ray crystallographic analysis, and structure-activity relationships for a series of P2-modified, orally active peptidyl pentafluoroethyl ketones. J.Med.Chem., 41:2461-2480, 1998 Cited by PubMed: 9651152 DOI: 10.1021/jm970812e PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.8 Å)

Structure validation