› 2p4i

X-ray diffraction
2.5Å resolution

Evolution of a highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor

Released:
DOI: 10.2210/pdb2p4i/pdb
PDB entry 2p4i coloured by chain, front view.
PDB entry 2p4i coloured by chain, side view.
PDB entry 2p4i coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Evolution of a highly selective and potent 2-(pyridin-2-yl)-1,3,5-triazine Tie-2 kinase inhibitor.
Hodous BL, Geuns-Meyer SD, Hughes PE, Albrecht BK, Bellon S, Bready J, Caenepeel S, Cee VJ, Chaffee SC, Coxon A, Emery M, Fretland J, Gallant P, Gu Y, Hoffman D, Johnson RE, Kendall R, Kim JL, Long AM, Morrison M, Olivieri PR, Patel VF, Polverino A, Rose P, Tempest P, Wang L, Whittington DA, Zhao H
J Med Chem 50 611-26 (2007)
PMID: 17253678

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-169749 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Angiopoietin-1 receptor Chains: A, B
Molecule details ›
Chains: A, B
Length: 317 amino acids
Theoretical weight: 36.25 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: Q02763 (Residues: 808-1124; Coverage: 29%)
Gene names: TEK, TIE2, VMCM, VMCM1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand MR9 2 x MR9
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P212121
Unit cell:
a: 64.262Å b: 63.189Å c: 175.571Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.248 0.246 0.303
Expression system: Trichoplusia ni

Quick links

Citations

5 review citations

Control of vascular morphogenesis and homeostasis through the angiopoietin-Tie system.
Augustin et al. (2009)
4 more

5 mentions without citation

Convolutional neural network scoring and minimization in the D3R 2017 community challenge.
Sunseri et al. (2019)
4 more