› 2p3u

X-ray diffraction
1.62Å resolution

Crystal structure of human factor XA complexed with 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide {Pfizer 320663}

Released:
DOI: 10.2210/pdb2p3u/pdb
PDB entry 2p3u coloured by chain, front view.
PDB entry 2p3u coloured by chain, side view.
PDB entry 2p3u coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal Structures of Two Potent Nonamidine Inhibitors Bound to Factor Xa
Adler M, Kochanny MJ, Bin Y, Rumennik G, Light DL, Biancalana S, Whitlow M
Biochemistry 41 15514-15523 (2002)

Function and Biology Details

Reaction catalysed: 
Selective cleavage of Arg-|-Thr and then Arg-|-Ile bonds in prothrombin to form thrombin.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133209 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Factor X light chain Chain: A
Molecule details ›
Chain: A
Length: 52 amino acids
Theoretical weight: 5.59 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00742 (Residues: 127-178; Coverage: 11%)
Gene name: F10
Sequence domains: Coagulation Factor Xa inhibitory site
Structure domains: Laminin
Activated factor Xa heavy chain Chain: B
Molecule details ›
Chain: B
Length: 233 amino acids
Theoretical weight: 26.35 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P00742 (Residues: 235-467; Coverage: 51%)
Gene name: F10
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

2 bound ligands:
Ligand CA 2 x CA
Ligand 663 1 x 663
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P212121
Unit cell:
a: 56.014Å b: 71.717Å c: 78.651Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.191 0.21

Quick links