› 2qky

X-ray diffraction
3.1Å resolution

complex structure of dipeptidyl peptidase IV and a oxadiazolyl ketone

Released:
DOI: 10.2210/pdb2qky/pdb
PDB entry 2qky coloured by chain, front view.
PDB entry 2qky coloured by chain, side view.
PDB entry 2qky coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Synthesis, SAR, and X-ray structure of novel potent DPPIV inhibitors: oxadiazolyl ketones.
Koo KD, Kim MJ, Kim S, Kim KH, Hong SY, Hur GC, Yim HJ, Kim GT, Han HO, Kwon OH, Kwon TS, Koh JS, Lee CS
Bioorg Med Chem Lett 17 4167-72 (2007)
PMID: 17544668

Function and Biology Details

Reaction catalysed: 
Release of an N-terminal dipeptide, Xaa-Yaa-|-Zaa-, from a polypeptide, preferentially when Yaa is Pro, provided Zaa is neither Pro nor hydroxyproline.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151015 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dipeptidyl peptidase 4 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 728 amino acids
Theoretical weight: 84.48 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P27487 (Residues: 40-766; Coverage: 95%)
Gene names: ADCP2, CD26, DPP4
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 13Z 4 x 13Z
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MACSCIENCE
Spacegroup: P1
Unit cell:
a: 73.178Å b: 106.115Å c: 132.051Å
α: 76.3° β: 78.62° γ: 80.11°
R-values:
R R work R free
0.214 0.214 0.293
Expression system: Spodoptera frugiperda

Quick links

Citations

1 review citation

Survey of the year 2007 commercial optical biosensor literature.
Rich et al. (2008)
3 other articles

2 mentions without citation

The good, the bad and the dubious: VHELIBS, a validation helper for ligands and binding sites.
Cereto-Massagué et al. (2013)
1 more