› 3s3j

X-ray diffraction
2.25Å resolution

Transglutaminase 2 in complex with a novel inhibitor

Released:
DOI: 10.2210/pdb3s3j/pdb
PDB entry 3s3j coloured by chain, front view.
PDB entry 3s3j coloured by chain, side view.
PDB entry 3s3j coloured by chain, top view.
Source organisms:
Entry authors: Lindemann I, Heine A, Klebe G

Function and Biology Details

Reactions catalysed: 
A protein-L-glutamine + a protein-L-lysine = a protein with an N(6)-(gamma-glutamyl)-L-lysine cross-link + NH(3)
Protein L-glutamine + H(2)O = protein L-glutamate + NH(3)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149490 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Protein-glutamine gamma-glutamyltransferase 2 Chain: A
Molecule details ›
Chain: A
Length: 694 amino acids
Theoretical weight: 78.31 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P21980 (Residues: 2-687; Coverage: 100%)
Gene name: TGM2
Sequence domains:
Structure domains:
Peptide inhibitor Chain: B
Molecule details ›
Chain: B
Length: 5 amino acids
Theoretical weight: 634 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand SO4 6 x SO4
Ligand GOL 1 x GOL
1 modified residue:
Ligand 02Y 1 x 02Y

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: P41212
Unit cell:
a: 72.47Å b: 72.47Å c: 316.461Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.214 0.281
Expression systems:
  • Escherichia coli
  • Not provided

Quick links