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Crystal structure of the tyrosine kinase domain of fibroblast growth factor receptor 1 in complex with SU5402 inhibitor

Analyse Crystal structure of the tyrosine kinase domain of fibroblast growth factor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1FGI
Type
protein
Length
555 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
FGF receptor 1
EC
2.7.1.112
UniProt
P11362
Ligands
SU1
Pockets
6 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFGF receptor 1 (EC 2.7.1.112)protein28340% helix, 14% strandP11362
BFGF receptor 1 (EC 2.7.1.112)protein27241% helix, 15% strandP11362

Ligands and binding sites

  • SU1 · 3-[(3-(2-carboxyethyl)-4-methylpyrrol-2-yl)methylene]-2-indolinone · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17000.740.7963SU1
26420.730.8065empty
31590.640.8526SU1
42590.550.7741empty
5830.350.7516empty

Interfaces

1 interface between chains.

  • A–B · 513 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 1FGI · Crystal structure of the tyrosine kinase domain of fibroblast growth factor receptor 1 in… · the same entry in another collection · chain A against A, TM-score 1.00
  • P11362 · AlphaFold monomer V2.0 prediction for fibroblast growth factor receptor 1 (P11362) · a predicted model of the same protein · chain B against A, TM-score 0.94

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