› 2zp0

X-ray diffraction
2.7Å resolution

Human factor viia-tissue factor complexed with benzylsulfonamide-D-ile-gln-P-aminobenzamidine

Released:
DOI: 10.2210/pdb2zp0/pdb
PDB entry 2zp0 coloured by chain, front view.
PDB entry 2zp0 coloured by chain, side view.
PDB entry 2zp0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Peptide Mimetic Factor VIIa Inhibitor: Importance of Hydrophilic Pocket in S2 Site to Improve Selectivity aganist Thrombin
Kadono S, Sakamoto A, Kikuchi Y, Oh-eda M, Yabuta N, Koga T, Hattori K, Shiraishi T, Haramura M, Kodama H, Esaki T, Sato H, Watanabe S, Itoh S, Ohta M, Kozono T
Lett Drug Des Discov 2 177-181 (2005)

Function and Biology Details

Reaction catalysed: 
Selective cleavage of Arg-|-Ile bond in factor X to form factor Xa.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140352 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Factor VII light chain Chain: L
Molecule details ›
Chain: L
Length: 152 amino acids
Theoretical weight: 17.49 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P08709 (Residues: 61-212; Coverage: 34%)
Gene name: F7
Sequence domains:
Factor VII heavy chain Chain: H
Molecule details ›
Chain: H
Length: 254 amino acids
Theoretical weight: 28.1 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P08709 (Residues: 213-466; Coverage: 57%)
Gene name: F7
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
Tissue factor Chain: T
Molecule details ›
Chain: T
Length: 218 amino acids
Theoretical weight: 24.7 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P13726 (Residues: 33-250; Coverage: 83%)
Gene name: F3
Sequence domains:
Structure domains: Immunoglobulins

Ligands and Environments

4 bound ligands:
Ligand BGC 1 x BGC
Ligand FUC 1 x FUC
Ligand CA 9 x CA
Ligand PI0 1 x PI0
1 modified residue:
Ligand CGU 10 x CGU

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE BL-6B
Spacegroup: P212121
Unit cell:
a: 71.37Å b: 81.99Å c: 123.31Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.218 0.306
Expression systems:
  • Cricetulus griseus
  • Escherichia coli

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