› 2i78

X-ray diffraction
2.5Å resolution

Crystal structure of human dipeptidyl peptidase IV (DPP IV) complexed with ABT-341, a cyclohexene-constrained phenethylamine inhibitor

Released:
DOI: 10.2210/pdb2i78/pdb
PDB entry 2i78 coloured by chain, front view.
PDB entry 2i78 coloured by chain, side view.
PDB entry 2i78 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Longenecker KL, Pei Z, Li X

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 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, C, D
Molecule details ›
Chains: A, B, C, D
Length: 726 amino acids
Theoretical weight: 84.25 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P27487 (Residues: 39-764; Coverage: 95%)
Gene names: ADCP2, CD26, DPP4
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand KIQ 1 x KIQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-BM
Spacegroup: P21
Unit cell:
a: 119.933Å b: 126.419Å c: 127.531Å
α: 90° β: 100.26° γ: 90°
R-values:
R R work R free
0.219 0.216 0.275
Expression system: Spodoptera frugiperda

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