› 1gi6

X-ray diffraction
1.49Å resolution

A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE

Released:
DOI: 10.2210/pdb1gi6/pdb
PDB entry 1gi6 coloured by chain, front view.
PDB entry 1gi6 coloured by chain, side view.
PDB entry 1gi6 coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
Katz BA, Elrod K, Luong C, Rice MJ, Mackman RL, Sprengeler PA, Spencer J, Hataye J, Janc J, Link J, Litvak J, Rai R, Rice K, Sideris S, Verner E, Young W
J Mol Biol 307 1451-86 (2001)
PMID: 11292354

Function and Biology Details

Reaction catalysed: 
Preferential cleavage: Arg-|-, Lys-|-.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133319 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine protease 1 Chain: A
Molecule details ›
Chain: A
Length: 223 amino acids
Theoretical weight: 23.32 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P00760 (Residues: 24-246; Coverage: 97%)
Gene names: PRSS1, TRP1, TRY1, TRYP1
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

4 bound ligands:
Ligand CA 1 x CA
Ligand CL 1 x CL
Ligand SO4 1 x SO4
Ligand 124 1 x 124
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P212121
Unit cell:
a: 63.73Å b: 63.4Å c: 69.3Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.186 0.209

Quick links

Citations

1 review citation

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)
39 other articles

4 mentions without citation

Assessment of programs for ligand binding affinity prediction.
Kim et al. (2008)
3 more