PDBsum entry 5lgo

Hydrolase

PDB id: 5lgo

Contents

Protein chain

223 a.a.

Ligands

DMS

6VZ

Metals

_CA

Waters ×279

PDB id:

5lgo

Name:

Hydrolase

Title:

Trypsin inhibitors for the treatment of pancreatitis - cpd 15

Structure:

Cationic trypsin. Chain: a. Synonym: beta-trypsin. Ec: 3.4.21.4

Source:

Bos taurus. Bovine. Organism_taxid: 9913

Resolution:

1.12Å R-factor: 0.176 R-free: 0.197

Authors:

N.Schiering,A.D'Arcy

Key ref:

T.Brandl et al. (2016). Trypsin inhibitors for the treatment of pancreatitis. Bioorg Med Chem Lett, 26, 4340-4344. PubMed id: 27476144 DOI: 10.1016/j.bmcl.2016.07.029

Date:

07-Jul-16 Release date: 10-Aug-16

Protein chain

P00760  (TRY1_BOVIN) -  Serine protease 1 from Bos taurus

Seq: 246 a.a.

Struc: 223 a.a.

Enzyme reactions

• Enzyme class: E.C.3.4.21.4 - trypsin.
• Reaction: Preferential cleavage: Arg-|-Xaa, Lys-|-Xaa.

DOI no: 10.1016/j.bmcl.2016.07.029

Bioorg Med Chem Lett 26:4340-4344 (2016)

PubMed id: 27476144

Trypsin inhibitors for the treatment of pancreatitis.

T.Brandl, O.Simic, P.R.Skaanderup, K.Namoto, F.Berst, C.Ehrhardt, N.Schiering, I.Mueller, J.Woelcke.

ABSTRACT

Proline-based trypsin inhibitors occupying the S1-S2-S1' region were identified by an HTS screening campaign. It was discovered that truncation of the P1' moiety and appropriate extension into the S4 region led to highly potent trypsin inhibitors with excellent selectivity against related serine proteases and a favorable hERG profile.