› 7y0f

X-ray diffraction
2.6Å resolution

Crystal structure of TMPRSS2 in complex with UK-371804

Released:
DOI: 10.2210/pdb7y0f/pdb
PDB entry 7y0f coloured by chain, front view.
PDB entry 7y0f coloured by chain, side view.
PDB entry 7y0f coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry.
Wang H, Yang Q, Liu X, Xu Z, Shao M, Li D, Duan Y, Tang J, Yu X, Zhang Y, Hao A, Wang Y, Chen J, Zhu C, Guddat L, Chen H, Zhang L, Chen X, Jiang B, Sun L, Rao Z, Yang H
OpenAccess logo Nat Commun 14 7574 (2023)
PMID: 37990007

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-518541 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Transmembrane protease serine 2 non-catalytic chain Chains: A, B
Molecule details ›
Chains: A, B
Length: 146 amino acids
Theoretical weight: 16.05 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O15393 (Residues: 109-254; Coverage: 30%)
Gene names: PRSS10, TMPRSS2
Sequence domains: Scavenger receptor cysteine-rich domain
Transmembrane protease serine 2 catalytic chain Chains: C, D
Molecule details ›
Chains: C, D
Length: 249 amino acids
Theoretical weight: 27.86 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O15393 (Residues: 256-492; Coverage: 48%)
Gene names: PRSS10, TMPRSS2
Sequence domains: Trypsin

Ligands and Environments

3 bound ligands:
Ligand NAG 2 x NAG
Ligand CA 2 x CA
Ligand I9V 2 x I9V
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL02U1
Spacegroup: P21
Unit cell:
a: 48.045Å b: 91.208Å c: 90.696Å
α: 90° β: 100.44° γ: 90°
R-values:
R R work R free
0.219 0.217 0.237
Expression system: Spodoptera frugiperda

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Citations

1 review citation

Cathepsin B in cardiovascular disease: Underlying mechanisms and therapeutic strategies.
Cai et al. (2024)
3 other articles