2tec

X-ray diffraction
1.98Å resolution

MOLECULAR DYNAMICS REFINEMENT OF A THERMITASE-EGLIN-C COMPLEX AT 1.98 ANGSTROMS RESOLUTION AND COMPARISON OF TWO CRYSTAL FORMS THAT DIFFER IN CALCIUM CONTENT

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
Non-polymer only dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Thermitase Chain: E
Molecule details ›
Chain: E
Length: 279 amino acids
Theoretical weight: 28.38 KDa
Source organism: Thermoactinomyces vulgaris
UniProt:
  • Canonical: P04072 (Residues: 1-279; Coverage: 100%)
Sequence domains: Subtilase family
Structure domains: Peptidase S8/S53 domain
Eglin C Chain: I
Molecule details ›
Chain: I
Length: 70 amino acids
Theoretical weight: 8.1 KDa
Source organism: Poecilobdella manillensis
Expression system: unidentified
UniProt:
  • Canonical: P01051 (Residues: 1-70; Coverage: 100%)
Sequence domains: Potato inhibitor I family
Structure domains: Trypsin Inhibitor V, subunit A

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 49.06Å b: 67.23Å c: 90.29Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.165 0.165 not available
Expression system: unidentified