› 5t4b

X-ray diffraction
1.76Å resolution

Human DPP4 in complex with a ligand 34a

Released:
DOI: 10.2210/pdb5t4b/pdb
PDB entry 5t4b coloured by chain, front view.
PDB entry 5t4b coloured by chain, side view.
PDB entry 5t4b coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors.
Pissarnitski DA, Zhao Z, Cole D, Wu WL, Domalski M, Clader JW, Scapin G, Voigt J, Soriano A, Kelly T, Powles MA, Yao Z, Burnett DA
Bioorg Med Chem 24 5534-5545 (2016)
PMID: 27670099

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: 40-766; 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 NAG 5 x NAG
Ligand 75N 2 x 75N
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 117.61Å b: 125.68Å c: 137.17Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.16 0.158 0.186
Expression system: Spodoptera frugiperda

Quick links

Citations

1 review citation

Emergence of promising novel DPP-4 inhibitory heterocycles as anti-diabetic agents: A review.
Rohilla et al. (2018)

1 mention without citation

Characteristics of Food Protein-Derived Antidiabetic Bioactive Peptides: A Literature Update.
Nong et al. (2021)