› 4pnz

X-ray diffraction
1.9Å resolution

Human dipeptidyl peptidase IV/CD26 in complex with the long-acting inhibitor Omarigliptin (MK-3102)

Released:
DOI: 10.2210/pdb4pnz/pdb
PDB entry 4pnz coloured by chain, front view.
PDB entry 4pnz coloured by chain, side view.
PDB entry 4pnz coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Omarigliptin (MK-3102): a novel long-acting DPP-4 inhibitor for once-weekly treatment of type 2 diabetes.
Biftu T, Sinha-Roy R, Chen P, Qian X, Feng D, Kuethe JT, Scapin G, Gao YD, Yan Y, Krueger D, Bak A, Eiermann G, He J, Cox J, Hicks J, Lyons K, He H, Salituro G, Tong S, Patel S, Doss G, Petrov A, Wu J, Xu SS, Sewall C, Zhang X, Zhang B, Thornberry NA, Weber AE
J Med Chem 57 3205-12 (2014)
PMID: 24660890

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 (2 distinct):
Dipeptidyl peptidase 4 Chains: A, B
Molecule details ›
Chains: A, B
Length: 728 amino acids
Theoretical weight: 84.48 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
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
Carbohydrate polymer
3 bound ligands:
Ligand NA 1 x NA
Ligand 2VH 2 x 2VH
Ligand NAG 8 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 117.94Å b: 125.777Å c: 137.085Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.168 0.166 0.197
Expression system: Spodoptera frugiperda

Quick links

Citations

18 review citations

DPP4 in Diabetes.
Röhrborn et al. (2015)
17 more

10 mentions without citation

Discovery of Food-Derived Dipeptidyl Peptidase IV Inhibitory Peptides: A Review.
Liu et al. (2019)
9 more