6fjt

X-ray diffraction
1.27Å resolution

4-chloro-benzamidine in complex with thrombin

Released:
Source organisms:
Entry authors: Abazi N, Heine A, Klebe G

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-133125 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Thrombin light chain Chain: L
Molecule details ›
Chain: L
Length: 28 amino acids
Theoretical weight: 3.32 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P00734 (Residues: 333-360; Coverage: 5%)
Gene name: F2
Sequence domains: Thrombin light chain
Thrombin heavy chain Chain: H
Molecule details ›
Chain: H
Length: 251 amino acids
Theoretical weight: 28.89 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P00734 (Residues: 364-621; Coverage: 42%)
Gene name: F2
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
Hirudin variant-2 Chain: I
Molecule details ›
Chain: I
Length: 11 amino acids
Theoretical weight: 1.49 KDa
Source organism: Hirudo medicinalis
Expression system: Hirudo medicinalis

Ligands and Environments

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: C2
Unit cell:
a: 70.2Å b: 71.319Å c: 72.435Å
α: 90° β: 100.31° γ: 90°
R-values:
R R work R free
0.134 0.133 0.151
Expression systems:
  • Homo sapiens
  • Hirudo medicinalis