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Ligands
Code Name Style Show Link
JJV (6s)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile
MES 2-(N-morpholino)-ethanesulfonic acid
XPE 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose
FUC Alpha-L-fucopyranose
Modification
Code Name Show
Code : 5A0C   PDBj   RCSB PDB   PDBe
Header : HYDROLASE
Title : Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
Release Data : 2015-08-19
Compound :
mol_id molecule chains synonym
1 NEUTROPHIL ELASTASE A,B BONE MARROW SERINE PROTEASE, ELASTASE-2, HUMAN LEUKOCYTE EL ASTASE, HLE, MEDULLASIN, PMN ELASTASE, ELASTASE, HLE, MEDULIASIN, PMN ELASTASE
ec: 3.4.21.37
fragment: UNP RESIDUES 30-247
Source :
mol_id organism_scientific organism_common
1 HOMO SAPIENS  (taxid:9606) HUMAN
Authors : vonNussbaum, F., Li, V.M.-J., Allerheiligen, S., Anlauf, S., Baerfacker, L., Bechem, M., Delbeck, M., Fitzgerald, M.F., Gerisch, M., Gielen-Haertwig, H., Haning, H., Karthaus, D., Lang, D., Lustig, K., Meibom, D., Mittendorf, J., Rosentreter, U., Schaefer, M., Schaefer, S., Schamberger, J., Telan, L.A., Tersteegen, A.
Keywords : TRYPSIN FAMILY FOLD, PROTEASE, HYDROLASE, HYDROLASE- INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 2.10 Å )
Citation :

Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.

von Nussbaum, F.,Li, V.M.,Allerheiligen, S.  et al.
(2015)  ChemMedChem  10 : 1163 - 1173

PubMed: 26083237
DOI: 10.1002/cmdc.201500131

Chain : A, B
UniProt : P08246 (ELNE_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
Hydrolysis of proteins, including elastin. Preferential cleavage: Val-|-Xaa > Ala-|-Xaa. 3.4.21.37 PubMed:36899106
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