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Crystal structure of spleen tyrosine kinase (Syk) in complex with an imidazopyrazine inhibitor

Analyse Crystal structure of spleen tyrosine kinase (Syk) in complex with an… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4PV0
Type
protein
Length
268 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2
Source
Homo sapiens
Molecule
Tyrosine-protein kinase SYK
EC
2.7.10.2
UniProt
P43405
Ligands
CG4, CL
Pockets
1 · best druggability 0.64

Structure

x-ray diffraction · resolution 2 · 1 distinct chain · 41% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATyrosine-protein kinase SYK (EC 2.7.10.2)protein26841% helix, 22% strandP43405

Ligands and binding sites

  • CG4 · 4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid · ligand · chains A
  • CL · Chloride ion · ion · 5 copies · 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
13830.640.7837CG4

Compared structures

  • 4PV0 · Crystal structure of spleen tyrosine kinase (syk) in complex with an imidazopyrazine… · the same entry in another collection · chain A against A, TM-score 1.00
  • P43405 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase syk (P43405) · a predicted model of the same protein · chain A against A, TM-score 0.91

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