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MolNFT v1 · #64318 · protein

Crystal structure of PYK2 complexed with pf-4618433

3FZT · Protein tyrosine kinase 2 beta: “Crystal structure of PYK2 complexed with pf-4618433”. X-ray diffraction, 1 ligand (4JZ), 1 pocket (best druggability 0.76). MolNFT v1 #64318 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
3FZT
Type
protein
Length
259 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein tyrosine kinase 2 beta
EC
2.7.10.2
UniProt
Q14289
Ligands
4JZ
Pockets
1 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein tyrosine kinase 2 beta (EC 2.7.10.2)protein25944% helix, 17% strandQ14289

Ligands and binding sites

  • 4JZ · 1-[5-tert-butyl-2-(4-methylphenyl)-1,2-dihydro-3H-pyrazol-3-ylidene]-3-{3-[(pyridin-3-yloxy)methyl]-1H-pyrazol-5-yl}urea · 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
14400.760.85484JZ

Compared structures

  • 3FZT · Crystal structure of PYK2 complexed with PF-4618433 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q14289 · AlphaFold monomer V2.0 prediction for protein-tyrosine kinase 2-beta (Q14289) · a predicted model of the same protein · chain A against A, TM-score 0.92

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