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FGFR1 ligand complex

Analyse FGFR1 ligand complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5A4C
Type
protein
Length
580 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fibroblast growth factor receptor 1 (fms-related tyrosine kinase 2, pfeiffer syndrome)…
UniProt
P11362
Ligands
XOJ, SO4
Pockets
4 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFibroblast growth factor receptor 1 (fms-related tyrosine kinase 2, pfeiffer syndrome), isoform CRA_Bprotein29438% helix, 15% strandP11362
BFibroblast growth factor receptor 1 (fms-related tyrosine kinase 2, pfeiffer syndrome), isoform CRA_Bprotein28639% helix, 16% strandP11362

Ligands and binding sites

  • XOJ · 1-tert-butyl-3-[2-[3-(diethylamino) propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-D] pyrimidin-7-yl]urea · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 6 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 10 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111100.770.7989SO4, EDO
26630.700.7865SO4, EDO, XOJ
35750.680.7860SO4, XOJ
4900.360.7623EDO

Interfaces

1 interface between chains.

  • A–B · 650 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • P11362 · AlphaFold monomer V2.0 prediction for fibroblast growth factor receptor 1 (P11362) · a predicted model of the same protein · chain A against A, TM-score 0.92

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