PDBe 3b23

X-ray diffraction
2.4Å resolution

Crystal structure of thrombin-variegin complex: Insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Thrombin light chain Chain: A
Molecule details ›
Chain: A
Length: 36 amino acids
Theoretical weight: 4.1 KDa
Source organism: Homo sapiens
Expression system: Mus musculus
UniProt:
  • Canonical: P00734 (Residues: 328-363; Coverage: 6%)
Gene name: F2
Thrombin heavy chain Chain: B
Molecule details ›
Chain: B
Length: 259 amino acids
Theoretical weight: 29.78 KDa
Source organism: Homo sapiens
Expression system: Mus musculus
UniProt:
  • Canonical: P00734 (Residues: 364-622; Coverage: 43%)
Gene name: F2
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
Variegin Chain: C
Molecule details ›
Chain: C
Length: 32 amino acids
Theoretical weight: 3.61 KDa
Source organism: Amblyomma variegatum
Expression system: Not provided
UniProt:
  • Canonical: P85800 (Residues: 1-32; Coverage: 100%)

Ligands and Environments

No bound ligands

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: C2
Unit cell:
a: 124.658Å b: 50.826Å c: 61.535Å
α: 90° β: 98.7° γ: 90°
R-values:
R R work R free
0.21 0.208 0.259
Expression systems:
  • Mus musculus
  • Not provided