3QN7: Potent And Selective Bicyclic Peptide Inhibitor (uk18) Of Human Urokinase-type Plasminogen Activator(upa)

Citation:
Abstract
From a large combinatorial library of chemically constrained bicyclic peptides we isolated a selective and potent (K(i) = 53 nM) inhibitor of human urokinase-type plasminogen activator (uPA) and crystallized the complex. This revealed an extended structure of the peptide with both peptide loops engaging the target to form a large interaction surface of 701 A(2) with multiple hydrogen bonds and complementary charge interactions, explaining the high affinity and specificity of the inhibitor. The interface resembles that between two proteins and suggests that these constrained peptides have the potential to act as small protein mimics.
PDB ID: 3QN7Download
MMDB ID: 97220
PDB Deposition Date: 2011/2/8
Updated in MMDB: 2013/04
Experimental Method:
x-ray diffraction
Resolution: 1.9  Å
Source Organism:
synthetic construct
Similar Structures:
Biological Unit for 3QN7: dimeric; determined by author and by software (PISA)
Molecular Components in 3QN7
Label Count Molecule
Proteins (2 molecules)
1
Urokinase-type Plasminogen Activator(Gene symbol: PLAU)
Molecule annotation
1
Bicyclic Peptide Inhibitor
Molecule annotation
Chemical (1 molecule)
1
1
* Click molecule labels to explore molecular sequence information.

Citing MMDB
.