PDBe 2anm

X-ray diffraction
2.4Å resolution

Ternary complex of an orally active thrombin inhibitor with human thrombin and a c-terminal hirudin derived exo-sit inhibitor

Released:
Source organism: Homo sapiens
Primary publication:
Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety.
Bioorg. Med. Chem. Lett. 16 2648-53 (2006)
PMID: 16460939

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Thrombin heavy chain Chain: H
Molecule details ›
Chain: H
Length: 257 amino acids
Theoretical weight: 29.59 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00734 (Residues: 364-620; Coverage: 43%)
Gene name: F2
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
Thrombin light chain Chain: L
Molecule details ›
Chain: L
Length: 36 amino acids
Theoretical weight: 4.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00734 (Residues: 328-363; Coverage: 6%)
Gene name: F2

Ligands and Environments

1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200HB
Spacegroup: C2
Unit cell:
a: 71.24Å b: 72.39Å c: 73.06Å
α: 90° β: 101.01° γ: 90°
R-values:
R R work R free
0.194 0.194 0.25
Expression system: Escherichia coli