› 2nwn

X-ray diffraction
2.15Å resolution

New Pharmacophore for Serine Protease Inhibition Revealed by Crystal Structure of Human Urokinase-type Plasminogen Activator Complexed with a Cyclic Peptidyl Inhibitor, upain-1

Released:
DOI: 10.2210/pdb2nwn/pdb
PDB entry 2nwn coloured by chain, front view.
PDB entry 2nwn coloured by chain, side view.
PDB entry 2nwn coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis of specificity of a peptidyl urokinase inhibitor, upain-1.
Zhao G, Yuan C, Wind T, Huang Z, Andreasen PA, Huang M
J Struct Biol 160 1-10 (2007)
PMID: 17692534

Function and Biology Details

Reaction catalysed: 
Specific cleavage of Arg-|-Val bond in plasminogen to form plasmin.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133256 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Urokinase-type plasminogen activator chain B Chain: A
Molecule details ›
Chain: A
Length: 253 amino acids
Theoretical weight: 28.44 KDa
Source organism: Homo sapiens
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P00749 (Residues: 179-431; Coverage: 62%)
Gene name: PLAU
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
upain-1 Chain: B
Molecule details ›
Chain: B
Length: 12 amino acids
Theoretical weight: 1.49 KDa
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BRUKER AXS MICROSTAR
Spacegroup: R3
Unit cell:
a: 120.481Å b: 120.481Å c: 42.117Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.218 0.218 0.261
Expression systems:
  • Komagataella pastoris
  • Not provided

Quick links

Citations

3 review citations

Design, synthesis, and diversification of ribosomally derived peptide macrocycles.
Frost et al. (2013)
2 more

7 mentions without citation

Mechanisms of macromolecular protease inhibitors.
Farady et al. (2010)
6 more