3HGN

Structure of porcine pancreatic elastase complexed with a potent peptidyl inhibitor FR130180 determined by neutron crystallography

Summary for 3HGN

Entry DOI	10.2210/pdb3hgn/pdb
Related	3HGP
Descriptor	Elastase-1, 4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid, CALCIUM ION, ... (5 entities in total)
Functional Keywords	chymotrypsin family, hydrolase, serine protease, disulfide bond, metal-binding, protease, secreted, zymogen
Biological source	Sus scrofa (Pig)
Cellular location	Secreted: P00772
Total number of polymer chains	1
Total formula weight	26578.66
Authors	Tamada, T.,Kinoshita, T.,Kuroki, R.,Tada, T. (deposition date: 2009-05-14, release date: 2009-07-28, Last modification date: 2023-11-01)
Primary citation	Tamada, T.,Kinoshita, T.,Kurihara, K.,Adachi, M.,Ohhara, T.,Imai, K.,Kuroki, R.,Tada, T. Combined High-Resolution Neutron and X-ray Analysis of Inhibited Elastase Confirms the Active-Site Oxyanion Hole but Rules against a Low-Barrier Hydrogen Bond J.Am.Chem.Soc., 131:11033-11040, 2009 Cited by PubMed: 19603802 DOI: 10.1021/ja9028846 PDB entries with the same primary citation
Experimental method	NEUTRON DIFFRACTION (1.65 Å) X-RAY DIFFRACTION (1.201 Å)

Structure validation