› 3eio

X-ray diffraction
2Å resolution

Crystal Structure Analysis of DPPIV Inhibitor

Released:
DOI: 10.2210/pdb3eio/pdb
PDB entry 3eio coloured by chain, front view.
PDB entry 3eio coloured by chain, side view.
PDB entry 3eio coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Synthesis and biological evaluation of homopiperazine derivatives with beta-aminoacyl group as dipeptidyl peptidase IV inhibitors.
Ahn JH, Park WS, Jun MA, Shin MS, Kang SK, Kim KY, Rhee SD, Bae MA, Kim KR, Kim SG, Kim SY, Sohn SK, Kang NS, Lee JO, Lee DH, Cheon HG, Kim SS
Bioorg Med Chem Lett 18 6525-9 (2008)
PMID: 18996694

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 analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151015 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (3 distinct):
Dipeptidyl peptidase 4 Chains: A, B
Molecule details ›
Chains: A, B
Length: 728 amino acids
Theoretical weight: 84.46 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P27487 (Residues: 39-766; Coverage: 95%)
Gene names: ADCP2, CD26, DPP4
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, MAN
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
2 bound ligands:
Ligand AJH 2 x AJH
Ligand NAG 10 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL/PLS BEAMLINE 4A
Spacegroup: P212121
Unit cell:
a: 119.368Å b: 123.387Å c: 133.185Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.239 0.239 0.272
Expression system: Trichoplusia ni

Quick links

Citations

2 review citations

Novel DPP-4 inhibitors against diabetes.
Liu et al. (2014)
1 more

5 mentions without citation

Identification of novel human dipeptidyl peptidase-IV inhibitors of natural origin (part I): virtual screening and activity assays.
Guasch et al. (2012)
4 more