PDBsum entry 5t4f

Hydrolase/hydrolase inhibitor

PDB id: 5t4f

Contents

Protein chains

728 a.a.

Ligands

NAG-NAG ×9

NAG ×3

75M ×2

Metals

_NA

Waters ×1990

PDB id:

5t4f

Name:

Hydrolase/hydrolase inhibitor

Title:

Human dpp4 in complex with ligand 34p

Structure:

Dipeptidyl peptidase 4. Chain: a, b. Synonym: adabp,adenosine deaminase complexing protein 2,adcp-2, dipeptidyl peptidase iv,dpp iv,t-cell activation antigen cd26,tp103. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: dpp4, adcp2, cd26. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108

Resolution:

1.90Å R-factor: 0.157 R-free: 0.187

Authors:

G.Scapin

Key ref:

D.A.Pissarnitski et al. (2016). Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors. Bioorg Med Chem Lett, 24, 5534-5545. PubMed id: 27670099 DOI: 10.1016/j.bmc.2016.09.007

Date:

29-Aug-16 Release date: 05-Oct-16

Protein chains

P27487  (DPP4_HUMAN) -  Dipeptidyl peptidase 4 from Homo sapiens

Seq: 766 a.a.

Struc: 728 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

• Enzyme class: E.C.3.4.14.5 - dipeptidyl-peptidase Iv.
• Reaction: Release of an N-terminal dipeptide, Xaa-Xbb-|-Xcc, from a polypeptide, preferentially when Xbb is Pro, provided Xcc is neither Pro nor hydroxyproline.

DOI no: 10.1016/j.bmc.2016.09.007

Bioorg Med Chem Lett 24:5534-5545 (2016)

PubMed id: 27670099

Scaffold-hopping from xanthines to tricyclic guanines: A case study of dipeptidyl peptidase 4 (DPP4) inhibitors.

D.A.Pissarnitski, Z.Zhao, D.Cole, W.L.Wu, M.Domalski, J.W.Clader, G.Scapin, J.Voigt, A.Soriano, T.Kelly, M.A.Powles, Z.Yao, D.A.Burnett.

ABSTRACT

No abstract given.