MolNFT v1 · #138950 · protein
Crystal structure of the FLT3 kinase domain bound to the inhibitor ff- 10101
5X02 · Receptor-type tyrosine-protein kinase FLT3: “Crystal structure of the FLT3 kinase domain bound to the inhibitor ff- 10101”. X-ray diffraction, 2 ligands (F6M, SO4), 4 pockets (best druggability 0.68). MolNFT v1 #138950 on GenesisL1…
- PDB
- 5X02
- Type
- protein
- Length
- 305 residues
- Chains
- 1
- 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
- F6M, SO4
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Receptor-type tyrosine-protein kinase FLT3 (EC 2.7.10.1) | protein | 305 | 36% helix, 22% strand | P36888 |
Ligands and binding sites
- F6M · N-[(2S)-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino) pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-N-methyl-but-2-enamide · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 233 | 0.68 | 0.84 | 37 | F6M |
| 2 | 154 | 0.49 | 0.78 | 23 | empty |
| 3 | 74 | 0.44 | 0.81 | 15 | empty |
| 4 | 75 | 0.36 | 0.77 | 17 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 5X02 · Crystal structure of the FLT3 kinase domain bound to the inhibitor FF-10101 · 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 5X02 · PDBe 5X02 · UniProt P36888
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