› 3ig6

X-ray diffraction
1.83Å resolution

Low molecular weigth human Urokinase type Plasminogen activator 2-[6-(3'-Aminomethyl-biphenyl-3-yloxy)-4-(3-dimethylamino-pyrrolidin-1-yl)-3,5-difluoro-pyridin-2-yloxy]-4-dimethylamino-benzoic acid complex

Released:
DOI: 10.2210/pdb3ig6/pdb
PDB entry 3ig6 coloured by chain, front view.
PDB entry 3ig6 coloured by chain, side view.
PDB entry 3ig6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of orally bioavailable, non-amidine inhibitors of Urokinase Plasminogen Activator (uPA).
West CW, Adler M, Arnaiz D, Chen D, Chu K, Gualtieri G, Ho E, Huwe C, Light D, Phillips G, Pulk R, Sukovich D, Whitlow M, Yuan S, Bryant J
Bioorg Med Chem Lett 19 5712-5 (2009)
PMID: 19703768

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

Assemblies composition:
hetero dimer (preferred)
hetero octamer
hetero tetramer
Assembly name:
PDBe Complex ID:
PDB-CPX-133250 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Urokinase-type plasminogen activator short chain A Chains: A, C
Molecule details ›
Chains: A, C
Length: 23 amino acids
Theoretical weight: 2.71 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00749 (Residues: 156-178; Coverage: 6%)
Gene name: PLAU
Urokinase-type plasminogen activator chain B Chains: B, D
Molecule details ›
Chains: B, D
Length: 253 amino acids
Theoretical weight: 28.46 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00749 (Residues: 179-431; Coverage: 62%)
Gene name: PLAU
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

2 bound ligands:
Ligand 438 2 x 438
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P2
Unit cell:
a: 70.855Å b: 52.294Å c: 72.58Å
α: 90° β: 90.23° γ: 90°
R-values:
R R work R free
0.198 0.197 0.228
Expression system: Escherichia coli

Quick links

Citations

5 citation in other articles

Synthesis and evaluation of non-basic inhibitors of urokinase-type plasminogen activator (uPA).
Venkatraj et al. (2012)
4 more

4 mentions without citation

Lessons from Hot Spot Analysis for Fragment-Based Drug Discovery.
Hall et al. (2015)
3 more