MolNFT v1 · #164593 · protein
Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4)
6T2W · Macrophage colony-stimulating factor 1 receptor: “Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4)”. X-ray diffraction, 2 ligands (M9T, SO4), 2 pockets (best druggability 0.60). MolNFT v1…
- PDB
- 6T2W
- Type
- protein
- Length
- 304 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Macrophage colony-stimulating factor 1 receptor
- EC
- 2.7.10.1
- UniProt
- P07333
- Ligands
- M9T, SO4
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Macrophage colony-stimulating factor 1 receptor (EC 2.7.10.1) | protein | 304 | 40% helix, 20% strand | P07333 |
Ligands and binding sites
- M9T · 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one · ligand · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 176 | 0.60 | 0.82 | 19 | M9T |
| 2 | 200 | 0.57 | 0.80 | 28 | empty |
Compared structures
- 6T2W · Crystal structure of the CSF1R kinase domain with a dihydropuri inhibitor (compound 4) · the same entry in another collection · chain A against A, TM-score 1.00
- P07333 · AlphaFold monomer V2.0 prediction for macrophage colony-stimulating factor 1 receptor… · a predicted model of the same protein · chain A against A, TM-score 0.92
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 P07333
- Elsewhere: RCSB PDB 6T2W · PDBe 6T2W · UniProt P07333
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