› 1o5e

X-ray diffraction
1.75Å resolution

Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA)

Released:
DOI: 10.2210/pdb1o5e/pdb
PDB entry 1o5e coloured by chain, front view.
PDB entry 1o5e coloured by chain, side view.
PDB entry 1o5e coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA).
Katz BA, Luong C, Ho JD, Somoza JR, Gjerstad E, Tang J, Williams SR, Verner E, Mackman RL, Young WB, Sprengeler PA, Chan H, Mortara K, Janc JW, McGrath ME
J Mol Biol 344 527-47 (2004)
PMID: 15522303

Function and Biology Details

Reaction catalysed: 
Cleavage after basic amino-acid residues, with Arg strongly preferred to Lys
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-529446 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Serine protease hepsin non-catalytic chain Chain: L
Molecule details ›
Chain: L
Length: 114 amino acids
Theoretical weight: 12.52 KDa
Source organism: Homo sapiens
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P05981 (Residues: 46-159; Coverage: 27%)
Gene names: HPN, TMPRSS1
Sequence domains: Hepsin, SRCR domain
Structure domains: SRCR-like domain
Serine protease hepsin catalytic chain Chain: H
Molecule details ›
Chain: H
Length: 255 amino acids
Theoretical weight: 27.57 KDa
Source organism: Homo sapiens
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P05981 (Residues: 163-417; Coverage: 61%)
Gene names: HPN, TMPRSS1
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

1 bound ligand:
Ligand 132 1 x 132
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P21
Unit cell:
a: 58.77Å b: 47.88Å c: 63.33Å
α: 90° β: 104.77° γ: 90°
R-values:
R R work R free
0.2 0.198 0.227
Expression system: Komagataella pastoris

Quick links

Citations

4 review citations

The cutting edge: membrane-anchored serine protease activities in the pericellular microenvironment.
Antalis et al. (2010)
3 more

5 mentions without citation

Structural analysis of experimental drugs binding to the SARS-CoV-2 target TMPRSS2.
Huggins DJ. (2020)
4 more