› 5lls

X-ray diffraction
2.41Å resolution

Porcine dipeptidyl peptidase IV in complex with 8-(3-aminopiperidin-1-yl)-7-[(2-bromophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Released:
DOI: 10.2210/pdb5lls/pdb
PDB entry 5lls coloured by chain, front view.
PDB entry 5lls coloured by chain, side view.
PDB entry 5lls coloured by chain, top view.
Source organism: Sus scrofa
Primary publication:
Comparative Analysis of Binding Kinetics and Thermodynamics of Dipeptidyl Peptidase-4 Inhibitors and Their Relationship to Structure.
Schnapp G, Klein T, Hoevels Y, Bakker RA, Nar H
J Med Chem 59 7466-77 (2016)
PMID: 27438064

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-149624 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Dipeptidyl peptidase 4 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 766 amino acids
Theoretical weight: 88.33 KDa
Source organism: Sus scrofa
UniProt:
  • Canonical: P22411 (Residues: 1-766; Coverage: 100%)
Gene names: CD26, DPP4
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
3 bound ligands:
Ligand NAG 15 x NAG
Ligand 6Z8 8 x 6Z8
Ligand SO4 4 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P1
Unit cell:
a: 61.9Å b: 117.68Å c: 133.12Å
α: 112.7° β: 94.6° γ: 91.2°
R-values:
R R work R free
0.192 0.19 0.228

Quick links

Citations

5 review citations

The role of renal dipeptidyl peptidase-4 in kidney disease: renal effects of dipeptidyl peptidase-4 inhibitors with a focus on linagliptin.
Kanasaki K. (2018)
4 more