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Crystal structure of FGFR3 in complex with pyrimidine derivative

Analyse Crystal structure of FGFR3 in complex with pyrimidine derivative in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7DHL
Type
protein
Length
289 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fibroblast growth factor receptor 3
EC
2.7.10.1
UniProt
P22607
Ligands
H6X
Pockets
1 · best druggability 0.71

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AFibroblast growth factor receptor 3 (EC 2.7.10.1)protein28938% helix, 18% strandP22607

Ligands and binding sites

  • H6X · 5-[2-(3,5-dimethoxyphenyl)ethyl]-N-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-2-amine · 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
14470.710.8148H6X

Modifications

Observed in the structure: 3 modified (phosphorylation).

Compared structures

  • 7DHL · Crystal structure of FGFR3 in complex with pyrimidine derivative · the same entry in another collection · chain A against A, TM-score 1.00
  • P22607 · AlphaFold monomer V2.0 prediction for fibroblast growth factor receptor 3 (P22607) · a predicted model of the same protein · chain A against A, TM-score 0.97

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