› 1khq

X-ray diffraction
1.6Å resolution

ORTHORHOMBIC FORM OF PAPAIN/ZLFG-DAM COVALENT COMPLEX

Released:
DOI: 10.2210/pdb1khq/pdb
PDB entry 1khq coloured by chain, front view.
PDB entry 1khq coloured by chain, side view.
PDB entry 1khq coloured by chain, top view.
Source organism: Carica papaya
Primary publication:
Two polymorphs of a covalent complex between papain and a diazomethylketone inhibitor.
Janowski R, Kozak M, Jankowska E, Grzonka Z, Jaskólski M
J Pept Res 64 141-50 (2004)
PMID: 15357669

Function and Biology Details

Reaction catalysed: 
Hydrolysis of proteins with broad specificity for peptide bonds, but preference for an amino acid bearing a large hydrophobic side chain at the P2 position. Does not accept Val in P1'.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133542 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Papain Chain: A
Molecule details ›
Chain: A
Length: 212 amino acids
Theoretical weight: 23.45 KDa
Source organism: Carica papaya
UniProt:
  • Canonical: P00784 (Residues: 134-345; Coverage: 65%)
Sequence domains: Papain family cysteine protease
Structure domains: Cysteine proteinases
peptidic inhibitor Chain: I
Molecule details ›
Chain: I
Length: 5 amino acids
Theoretical weight: 512 Da
Source organism: Carica papaya
Expression system: Not provided

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MACSCIENCE
Spacegroup: P212121
Unit cell:
a: 42.89Å b: 96.74Å c: 49.88Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.149 0.147 0.169
Expression system: Not provided

Quick links

Citations

1 review citation

New drug design with covalent modifiers.
Adeniyi et al. (2016)
12 other articles

8 mentions without citation

Structure of allergens and structure based epitope predictions.
Dall'antonia et al. (2014)
7 more