PDBe 1tmb

X-ray diffraction
2.3Å resolution

MOLECULAR BASIS FOR THE INHIBITION OF HUMAN ALPHA-THROMBIN BY THE MACROCYCLIC PEPTIDE CYCLOTHEONAMIDE A

Released:

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: L
Molecule details ›
Chain: L
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: H
Molecule details ›
Chain: H
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
Hirudin variant-2 Chain: I
Molecule details ›
Chain: I
Length: 13 amino acids
Theoretical weight: 1.63 KDa
Source organism: Hirudo medicinalis
Expression system: Not provided
UniProt:
  • Canonical: P09945 (Residues: 60-71; Coverage: 19%)
cyclotheonamide A Chain: T
Molecule details ›
Chain: T
Length: 5 amino acids
Theoretical weight: 751 Da
Source organism: Theonella sp.

Ligands and Environments

No bound ligands

3 modified residues:

Experiments and Validation Details

Entry percentile scores
Spacegroup: C2
Unit cell:
a: 70.61Å b: 72.38Å c: 73.35Å
α: 90° β: 101.1° γ: 90°
R-values:
R R work R free
0.138 not available not available
Expression system: Not provided