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Structural analysis of the lymphocyte-specific kinase lck in complex with non-selective and src family selective kinase inhibitors

Analyse Structural analysis of the lymphocyte-specific kinase lck in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1QPC
Type
protein
Length
271 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tyrosine-protein kinase lck
EC
2.7.10.2
UniProt
P06239
Ligands
ANP, SO4
Pockets
1 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATyrosine-protein kinase lck (EC 2.7.10.2)protein27139% helix, 20% strandP06239

Ligands and binding sites

  • ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
  • SO4 · Sulfate ion · ion · 3 copies · chains A
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13510.610.7837ANP, EDO

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 1QPC · Structural analysis of the lymphocyte-specific kinase lck in complex with non-selective… · the same entry in another collection · chain A against A, TM-score 1.00
  • P06239 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase lck (P06239) · a predicted model of the same protein · chain A against A, TM-score 0.88

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