› 5hu9

X-ray diffraction
1.53Å resolution

Crystal structure of ABL1 in complex with CHMFL-074

Released:
DOI: 10.2210/pdb5hu9/pdb
PDB entry 5hu9 coloured by chain, front view.
PDB entry 5hu9 coloured by chain, side view.
PDB entry 5hu9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML).
Liu F, Wang B, Wang Q, Qi Z, Chen C, Kong LL, Chen JY, Liu X, Wang A, Hu C, Wang W, Wang H, Wu F, Ruan Y, Qi S, Liu J, Zou F, Hu Z, Wang W, Wang L, Zhang S, Yun CH, Zhai Z, Liu J, Liu Q
Oncotarget 7 45562-45574 (2016)
PMID: 27322145

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132602 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase ABL1 Chain: A
Molecule details ›
Chain: A
Length: 277 amino acids
Theoretical weight: 31.98 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P00519 (Residues: 229-500; Coverage: 24%)
Gene names: ABL, ABL1, JTK7
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 66K 2 x 66K
Ligand EDO 12 x EDO
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: C2221
Unit cell:
a: 37.852Å b: 108.435Å c: 146.295Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.186 0.196
Expression system: Spodoptera frugiperda

Quick links

Citations

3 citation in other articles

Targeted inhibition of GRK2 kinase domain by CP-25 to reverse fibroblast-like synoviocytes dysfunction and improve collagen-induced arthritis in rats.
Han et al. (2021)
2 more

6 mentions without citation

Quercetin conjugated with superparamagnetic iron oxide nanoparticles improves learning and memory better than free quercetin via interacting with proteins involved in LTP.
Amanzadeh et al. (2019)
5 more