› 2zfq

X-ray diffraction
1.8Å resolution

Exploring thrombin S3 pocket

Released:
DOI: 10.2210/pdb2zfq/pdb
PDB entry 2zfq coloured by chain, front view.
PDB entry 2zfq coloured by chain, side view.
PDB entry 2zfq coloured by chain, top view.
Source organisms:
Entry authors: Brandt T, Baum B, Heine A, Klebe G

Function and Biology Details

Reaction catalysed: 
Selective cleavage of Arg-|-Gly bonds in fibrinogen to form fibrin and release fibrinopeptides A and B.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133076 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 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
Sequence domains: Thrombin light chain
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: 12 amino acids
Theoretical weight: 1.53 KDa
Source organism: Hirudo medicinalis
Expression system: Not provided
UniProt:
  • Canonical: P09945 (Residues: 60-71; Coverage: 19%)

Ligands and Environments

4 bound ligands:
Ligand NA 2 x NA
Ligand 45U 1 x 45U
Ligand BEN 1 x BEN
Ligand GOL 1 x GOL
1 modified residue:
Ligand TYS 1 x TYS

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: C2
Unit cell:
a: 70.4Å b: 71.6Å c: 72.5Å
α: 90° β: 100.6° γ: 90°
R-values:
R R work R free
0.189 0.181 0.245
Expression system: Not provided

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