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The structure of trka kinase domain bound to the inhibitor entrectinib

Analyse The structure of trka kinase domain bound to the inhibitor entrectinib in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5KVT
Type
protein
Length
287 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
High affinity nerve growth factor receptor
EC
2.7.10.1
UniProt
P04629
Ligands
YMX
Pockets
2 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHigh affinity nerve growth factor receptor (EC 2.7.10.1)protein28738% helix, 18% strandP04629

Ligands and binding sites

  • YMX · Entrectinib · ligand · chains A
  • GOL · Glycerol · additive · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13380.670.8134YMX
22310.520.7631empty

Compared structures

  • 5KVT · The structure of trka kinase domain bound to the inhibitor entrectinib · the same entry in another collection · chain A against A, TM-score 1.00

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