› 4x1n

X-ray diffraction
1.8Å resolution

The crystal structure of mupain-1-16 in complex with murinised human uPA at pH7.4

Released:
DOI: 10.2210/pdb4x1n/pdb
PDB entry 4x1n coloured by chain, front view.
PDB entry 4x1n coloured by chain, side view.
PDB entry 4x1n coloured by chain, top view.
Source organisms:
Primary publication:
A cyclic peptidic serine protease inhibitor: increasing affinity by increasing peptide flexibility.
Zhao B, Xu P, Jiang L, Paaske B, Kromann-Hansen T, Jensen JK, Sørensen HP, Liu Z, Nielsen JT, Christensen A, Hosseini M, Sørensen KK, Nielsen NC, Jensen KJ, Huang M, Andreasen PA
PLoS One 9 e115872 (2014)
PMID: 25545505

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-133276 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
mupain-1-16 Chain: P
Molecule details ›
Chain: P
Length: 10 amino acids
Theoretical weight: 1.11 KDa
Source organism: synthetic construct
Expression system: Not provided
Urokinase-type plasminogen activator chain B Chain: U
Molecule details ›
Chain: U
Length: 247 amino acids
Theoretical weight: 27.87 KDa
Source organism: Homo sapiens
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P00749 (Residues: 179-425; Coverage: 60%)
Gene name: PLAU
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

1 bound ligand:
Ligand MRZ 1 x MRZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: R3
Unit cell:
a: 121.595Å b: 121.595Å c: 42.4Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.232 0.23 0.276
Expression systems:
  • Not provided
  • Komagataella pastoris

Quick links

Citations

2 review citations

Urokinase plasminogen activator as an anti-metastasis target: inhibitor design principles, recent amiloride derivatives, and issues with human/mouse species selectivity.
El Salamouni et al. (2022)
1 more

2 mentions without citation

Structural Principles in the Development of Cyclic Peptidic Enzyme Inhibitors.
Xu et al. (2017)
1 more