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MolNFT v1 · #80360 · protein

Crystal structure of syk kinase domain with N-(4-methyl-3-(8-methyl-7- oxo-2-(phenylamino)-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL)PHENYL)-3- (TRIFLUOROMETHYL)BENZAMIDE

3TUD · Tyrosine-protein kinase syk: “Crystal structure of syk kinase domain with N-(4-methyl-3-(8-methyl-7…”. X-ray diffraction, 1 ligand (FPX), 1 pocket (best druggability 0.68). MolNFT v1 #80360 on GenesisL1: 3D structure, binding sites…

PDB
3TUD
Type
protein
Length
256 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tyrosine-protein kinase syk
EC
2.7.10.2
UniProt
P43405
Ligands
FPX
Pockets
1 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATyrosine-protein kinase syk (EC 2.7.10.2)protein25642% helix, 22% strandP43405

Ligands and binding sites

  • FPX · N-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide · ligand · 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
13610.680.8140FPX

Compared structures

  • 3TUD · Crystal structure of SYK kinase domain with N-(4-methyl-3-(8-methyl-7-oxo-2-(phenylamino)… · 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 0.92

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