› 7a3g

X-ray diffraction
2.8Å resolution

Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, 91

Released:
DOI: 10.2210/pdb7a3g/pdb
PDB entry 7a3g coloured by chain, front view.
PDB entry 7a3g coloured by chain, side view.
PDB entry 7a3g coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Chemoproteomics-Enabled Identification of 4-Oxo-β-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Carvalho LAR, Ross B, Fehr L, Bolgi O, Wöhrle S, Lum KM, Podlesainski D, Vieira AC, Kiefersauer R, Félix R, Rodrigues T, Lucas SD, Groß O, Geiss-Friedlander R, Cravatt BF, Huber R, Kaiser M, Moreira R
Angew Chem Int Ed Engl (2022)
PMID: 36089535

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-180439 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dipeptidyl peptidase 8 Chains: A, B
Molecule details ›
Chains: A, B
Length: 898 amino acids
Theoretical weight: 103.48 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q6V1X1 (Residues: 1-898; Coverage: 100%)
Gene names: DPP8, DPRP1, MSTP097, MSTP135, MSTP141
Sequence domains:

Ligands and Environments

6 bound ligands:
Ligand TMO 4 x TMO
Ligand QXQ 2 x QXQ
Ligand GOL 4 x GOL
Ligand PO4 8 x PO4
Ligand QXT 2 x QXT
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P61
Unit cell:
a: 153.598Å b: 153.598Å c: 270.222Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.211 0.209 0.242
Expression system: Spodoptera frugiperda

Quick links

Citations

1 mention without citation

Chemoproteomics-Enabled Identification of 4-Oxo-β-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Carvalho et al. (2022)