PDBsum entry 4fob

Transferase/inhibitor

PDB id: 4fob

Contents

Protein chain

295 a.a.

Ligands

0US

Waters ×196

PDB id:

4fob

Name:

Transferase/inhibitor

Title:

Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 1

Structure:

Alk tyrosine kinase receptor. Chain: a. Fragment: kinase domain, unp residues 1058-1410. Synonym: anaplastic lymphoma kinase. Engineered: yes. Mutation: yes

Source:

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

Resolution:

1.90Å R-factor: 0.204 R-free: 0.255

Authors:

D.A.Whittington,L.F.Epstein,H.Chen

Key ref:

R.T.Lewis et al. (2012). The discovery and optimization of a novel class of potent, selective, and orally bioavailable anaplastic lymphoma kinase (ALK) inhibitors with potential utility for the treatment of cancer. J Med Chem, 55, 6523-6540. PubMed id: 22734674

Date:

20-Jun-12 Release date: 11-Jul-12

Protein chain

Q9UM73  (ALK_HUMAN) -  ALK tyrosine kinase receptor from Homo sapiens

Seq: 1620 a.a.

Struc: 295 a.a.*

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

Enzyme reactions

• Enzyme class: E.C.2.7.10.1 - receptor 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 55:6523-6540 (2012)

PubMed id: 22734674

The discovery and optimization of a novel class of potent, selective, and orally bioavailable anaplastic lymphoma kinase (ALK) inhibitors with potential utility for the treatment of cancer.

R.T.Lewis, C.M.Bode, D.M.Choquette, M.Potashman, K.Romero, J.C.Stellwagen, Y.Teffera, E.Moore, D.A.Whittington, H.Chen, L.F.Epstein, R.Emkey, P.S.Andrews, V.L.Yu, D.C.Saffran, M.Xu, A.Drew, P.Merkel, S.Szilvassy, R.L.Brake.

ABSTRACT

No abstract given.