PDBsum entry 5hu9

Transferase/transferase inhibitor

PDB id: 5hu9

Contents

Protein chain

270 a.a.

Ligands

66K ×2

EDO ×12

Metals

_CL

Waters ×365

PDB id:

5hu9

Name:

Transferase/transferase inhibitor

Title:

Crystal structure of abl1 in complex with chmfl-074

Structure:

Tyrosine-protein kinase abl1. Chain: a. Fragment: unp residues 229-500. Synonym: abelson murine leukemia viral oncogene homolog 1,abelson tyrosine-protein kinase 1,proto-oncogenE C-abl,p150. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: abl1, abl, jtk7. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108.

Resolution:

1.53Å R-factor: 0.186 R-free: 0.196

Authors:

L.L.Kong,C.H.Yun

Key ref:

F.Liu et al. (2016). Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML). Oncotarget, 7, 45562-45574. PubMed id: 27322145 DOI: 10.18632/oncotarget.10037

Date:

27-Jan-16 Release date: 13-Jul-16

Protein chain

P00519  (ABL1_HUMAN) -  Tyrosine-protein kinase ABL1 from Homo sapiens

Seq: 1130 a.a.

Struc: 270 a.a.*

* PDB and UniProt seqs differ at 3 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: 10.18632/oncotarget.10037

Oncotarget 7:45562-45574 (2016)

PubMed id: 27322145

Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML).

F.Liu, B.Wang, Q.Wang, Z.Qi, C.Chen, L.L.Kong, J.Y.Chen, X.Liu, A.Wang, C.Hu, W.Wang, H.Wang, F.Wu, Y.Ruan, S.Qi, J.Liu, F.Zou, Z.Hu, W.Wang, L.Wang, S.Zhang, C.H.Yun, Z.Zhai, J.Liu, Q.Liu.

ABSTRACT

No abstract given.