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Crystal structure of phosphorylated ret tyrosine kinase domain complexed with the inhibitor ZD6474

Analyse Crystal structure of phosphorylated ret tyrosine kinase domain complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2IVU
Type
protein
Length
289 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Proto-oncogene tyrosine-protein kinase receptor ret precursor
EC
2.7.10.1
UniProt
P07949
Ligands
ZD6
Pockets
2 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProto-oncogene tyrosine-protein kinase receptor ret precursor (EC 2.7.10.1)protein28939% helix, 19% strandP07949

Ligands and binding sites

  • ZD6 · Vandetanib · ligand · chains A
  • FMT · Formic acid · additive · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13440.680.8242ZD6
2800.310.7318empty

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 2IVU · Crystal structure of phosphorylated RET tyrosine kinase domain complexed with the… · the same entry in another collection · chain A against A, TM-score 1.00
  • P07949 · AlphaFold monomer V2.0 prediction for proto-oncogene tyrosine-protein kinase receptor ret… · a predicted model of the same protein · chain A against A, TM-score 0.93

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