PDBsum entry 4gfo

Transferase/transferase inhibitor

PDB id: 4gfo

Contents

Protein chain

272 a.a.

Ligands

SO4 ×2

EDO ×2

GOL

0X2

Waters ×78

PDB id:

4gfo

Name:

Transferase/transferase inhibitor

Title:

Tyk2 kinase (jh1 domain) with 2,6-dichloro-n-(2-oxo-2,5- dihydropyridin-4-yl)benzamide

Structure:

Non-receptor tyrosine-protein kinase tyk2. Chain: a. Fragment: jh1 domain, unp residues 884-1176. Engineered: yes. Mutation: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: tyk2. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108

Resolution:

2.30Å R-factor: 0.237 R-free: 0.287

Authors:

C.Eigenbrot,M.Ultsch

Key ref:

J.Liang et al. (2013). Lead identification of novel and selective TYK2 inhibitors. Eur J Med Chem, 67, 175-187. PubMed id: 23867602 DOI: 10.1016/j.ejmech.2013.03.070

Date:

03-Aug-12 Release date: 19-Jun-13

Protein chain

P29597  (TYK2_HUMAN) -  Non-receptor tyrosine-protein kinase TYK2 from Homo sapiens

Seq: 1187 a.a.

Struc: 272 a.a.*

* PDB and UniProt seqs differ at 4 residue positions (black crosses)

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

DOI no: 10.1016/j.ejmech.2013.03.070

Eur J Med Chem 67:175-187 (2013)

PubMed id: 23867602

Lead identification of novel and selective TYK2 inhibitors.

J.Liang, V.Tsui, A.Van Abbema, L.Bao, K.Barrett, M.Beresini, L.Berezhkovskiy, W.S.Blair, C.Chang, J.Driscoll, C.Eigenbrot, N.Ghilardi, P.Gibbons, J.Halladay, A.Johnson, P.B.Kohli, Y.Lai, M.Liimatta, P.Mantik, K.Menghrajani, J.Murray, A.Sambrone, Y.Xiao, S.Shia, Y.Shin, J.Smith, S.Sohn, M.Stanley, M.Ultsch, B.Zhang, L.C.Wu, S.Magnuson.

ABSTRACT

No abstract given.