PDBsum entry 4aqc

Transferase

PDB id: 4aqc

Contents

Protein chain

291 a.a.

Ligands

88A ×2

SO4 ×5

Waters ×442

PDB id:

4aqc

Name:

Transferase

Title:

Triazolopyridine-based inhibitor of janus kinase 2

Structure:

Tyrosine-protein kinase jak2. Chain: a, b. Fragment: kinase domain, residues 835-1132. Synonym: janus kinase 2, jak-2. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108.

Resolution:

1.90Å R-factor: 0.178 R-free: 0.217

Authors:

B.J.Dugan,D.E.Gingrich,E.F.Mesaros,K.L.Milkiewicz,M.A.Curry, A.L.Zulli,P.Dobrzanski,C.Serdikoff,M.Jan,T.S.Angeles,M.S.Albom, J.L.Mason,L.D.Aimone,S.L.Meyer,Z.Huang,K.J.Wells-Knecht,M.A.Ator, B.A.Ruggeri,B.D.Dorsey

Key ref:

B.J.Dugan et al. (2012). A selective, orally bioavailable 1,2,4-triazolo[1,5-a]pyridine-based inhibitor of Janus kinase 2 for use in anticancer therapy: discovery of CEP-33779. J Med Chem, 55, 5243-5254. PubMed id: 22594690

Date:

16-Apr-12 Release date: 25-Apr-12

Protein chains

O60674  (JAK2_HUMAN) -  Tyrosine-protein kinase JAK2 from Homo sapiens

Seq: 1132 a.a.

Struc: 291 a.a.

Enzyme reactions

• Enzyme class: E.C.2.7.10.2 - non-specific protein-tyrosine kinase.
• Reaction: L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H⁺

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

Added reference

J Med Chem 55:5243-5254 (2012)

PubMed id: 22594690

A selective, orally bioavailable 1,2,4-triazolo[1,5-a]pyridine-based inhibitor of Janus kinase 2 for use in anticancer therapy: discovery of CEP-33779.

B.J.Dugan, D.E.Gingrich, E.F.Mesaros, K.L.Milkiewicz, M.A.Curry, A.L.Zulli, P.Dobrzanski, C.Serdikoff, M.Jan, T.S.Angeles, M.S.Albom, J.L.Mason, L.D.Aimone, S.L.Meyer, Z.Huang, K.J.Wells-Knecht, M.A.Ator, B.A.Ruggeri, B.D.Dorsey.

ABSTRACT

No abstract given.