› 3hac

X-ray diffraction
2Å resolution

The structure of DPP-4 in complex with piperidine fused imidazopyridine 34

Released:
DOI: 10.2210/pdb3hac/pdb
PDB entry 3hac coloured by chain, front view.
PDB entry 3hac coloured by chain, side view.
PDB entry 3hac coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors.
Edmondson SD, Mastracchio A, Cox JM, Eiermann GJ, He H, Lyons KA, Patel RA, Patel SB, Petrov A, Scapin G, Wu JK, Xu S, Zhu B, Thornberry NA, Roy RS, Weber AE
Bioorg Med Chem Lett 19 4097-101 (2009)
PMID: 19539471

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 NAG 4 x NAG
Ligand NA 1 x NA
Ligand 361 2 x 361
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P212121
Unit cell:
a: 118.12Å b: 125.496Å c: 136.902Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.173 0.171 0.205
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Recent approaches to medicinal chemistry and therapeutic potential of dipeptidyl peptidase-4 (DPP-4) inhibitors.
Patel et al. (2014)
2 more

3 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)
2 more