Research workbench
Crystal structure of the FLT3 kinase domain bound to the inhibitor quizartinib (AC220)
Analyse Crystal structure of the FLT3 kinase domain bound to the inhibitor quizartinib… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XUF
- Type
- protein
- Length
- 544 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Receptor-type tyrosine-protein kinase FLT3
- EC
- 2.7.10.1
- UniProt
- P36888
- Ligands
- P30
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Receptor-type tyrosine-protein kinase FLT3 (EC 2.7.10.1) | protein | 270 | 37% helix, 19% strand | P36888 |
| B | Receptor-type tyrosine-protein kinase FLT3 (EC 2.7.10.1) | protein | 274 | 36% helix, 18% strand | P36888 |
Ligands and binding sites
- P30 · 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea · ligand · 2 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 532 | 0.73 | 0.81 | 62 | P30 |
| 2 | 482 | 0.71 | 0.81 | 57 | P30 |
| 3 | 302 | 0.57 | 0.77 | 36 | empty |
| 4 | 107 | 0.39 | 0.75 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 373 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4XUF · Crystal structure of the FLT3 kinase domain bound to the inhibitor quizartinib (AC220) · the same entry in another collection · chain A against A, TM-score 1.00
- P36888 · AlphaFold monomer V2.0 prediction for receptor-type tyrosine-protein kinase FLT3 (P36888) · a predicted model of the same protein · chain A against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P36888
- Elsewhere: RCSB PDB 4XUF · PDBe 4XUF · UniProt P36888
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