MolNFT v1 · #152535 · protein
Crystal structure of the FLT3 kinase bound to a small molecule inhibitor
6IL3 · Receptor-type tyrosine-protein kinase FLT3: “Crystal structure of the FLT3 kinase bound to a small molecule inhibitor”. X-ray diffraction, 3 ligands (A9R, PO4, CL), 4 pockets (best druggability 0.68). MolNFT v1 #152535 on GenesisL1…
- PDB
- 6IL3
- Type
- protein
- Length
- 310 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
- A9R, PO4, CL
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Receptor-type tyrosine-protein kinase FLT3 (EC 2.7.10.1) | protein | 310 | 37% helix, 22% strand | P36888 |
Ligands and binding sites
- A9R · 7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)-3-(pyridin-2-yl)imidazo[1,2-a]pyridine · ligand · chains A
- PO4 · Phosphate ion · ion · 4 copies · chains A
- CL · Chloride ion · ion · 3 copies · chains A
- GOL · Glycerol · additive · 10 copies · chains A
- CXS · 3-cyclohexyl-1-propylsulfonic acid · additive · 2 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 232 | 0.68 | 0.85 | 28 | PO4, CL |
| 2 | 185 | 0.65 | 0.85 | 34 | A9R, CL |
| 3 | 130 | 0.51 | 0.80 | 19 | empty |
| 4 | 117 | 0.43 | 0.77 | 24 | empty |
Compared structures
- 6IL3 · Crystal structure of the FLT3 kinase bound to a small molecule inhibitor · 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 6IL3 · PDBe 6IL3 · UniProt P36888
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