PDBe 8kme

X-ray diffraction
2.1Å resolution

CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN INHIBITED WITH SEL2770.

Released:
Source organism: Homo sapiens
Primary publication:
Structures of thrombin retro-inhibited with SEL2711 and SEL2770 as they relate to factor Xa binding.
Acta Crystallogr. D Biol. Crystallogr. 55 785-93 (1999)
PMID: 10089309

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
Thrombin light chain Chain: 1
Molecule details ›
Chain: 1
Length: 36 amino acids
Theoretical weight: 4.1 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00734 (Residues: 328-363; Coverage: 6%)
Gene name: F2
Thrombin heavy chain Chain: 2
Molecule details ›
Chain: 2
Length: 259 amino acids
Theoretical weight: 29.78 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00734 (Residues: 364-622; Coverage: 43%)
Gene name: F2
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
N-ACETYLHIRUDIN Chain: 3
Molecule details ›
Chain: 3
Length: 10 amino acids
Theoretical weight: 1.36 KDa
SEL2770 Chain: 4
Molecule details ›
Chain: 4
Length: 7 amino acids
Theoretical weight: 737 Da

Ligands and Environments

1 bound ligand:

4 modified residues:

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: C2
Unit cell:
a: 71.66Å b: 72Å c: 73.45Å
α: 90° β: 101.2° γ: 90°
R-values:
R R work R free
0.167 0.167 not available