MolNFT v1 · #110363 · protein
Crystal structure of the FLT3 kinase domain bound to the inhibitor quizartinib (AC220)
4XUF · Receptor-type tyrosine-protein kinase FLT3: “Crystal structure of the FLT3 kinase domain bound to the inhibitor quizartinib (AC220)”. X-ray diffraction, 1 ligand (P30), 4 pockets (best druggability 0.73). MolNFT v1 #110363 on…
- 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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