› 4j3j

X-ray diffraction
3.2Å resolution

Crystal Structure of DPP-IV with Compound C3

Released:
DOI: 10.2210/pdb4j3j/pdb
PDB entry 4j3j coloured by chain, front view.
PDB entry 4j3j coloured by chain, side view.
PDB entry 4j3j coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design and synthesis of 4-(2,4,5-trifluorophenyl)butane-1,3-diamines as dipeptidyl peptidase IV inhibitors.
Zhu L, Li Y, Qiu L, Su M, Wang X, Xia C, Qu Y, Li J, Li J, Xiong B, Shen J
ChemMedChem 8 1104-16 (2013)
PMID: 23671024

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
Macromolecule:
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: Homo sapiens
UniProt:
  • Canonical: P27487 (Residues: 39-766; Coverage: 95%)
Gene names: ADCP2, CD26, DPP4
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand D3C 2 x D3C
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P32
Unit cell:
a: 79.648Å b: 79.648Å c: 292.267Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.227 0.225 0.27
Expression system: Homo sapiens

Quick links

Citations

2 review citations

The importance of synthetic drugs for type 2 diabetes drug discovery.
Safavi et al. (2013)
1 more

1 mention without citation

Quercetin and Coumarin Inhibit Dipeptidyl Peptidase-IV and Exhibits Antioxidant Properties: In Silico, In Vitro, Ex Vivo.
Singh et al. (2020)