Research workbench
Crystal structure of fms kinase domain with a small molecular inhibitor, PLX3397
Analyse Crystal structure of fms kinase domain with a small molecular inhibitor, PLX3397 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4R7H
- Type
- protein
- Length
- 308 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
- P31
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Macrophage colony-stimulating factor 1 receptor (EC 2.7.10.1) | protein | 308 | 41% helix, 19% strand | P07333 |
Ligands and binding sites
- P31 · 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine · ligand · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 170 | 0.78 | 0.93 | 34 | P31 |
| 2 | 225 | 0.61 | 0.81 | 31 | empty |
| 3 | 67 | 0.33 | 0.76 | 19 | empty |
| 4 | 64 | 0.28 | 0.73 | 14 | empty |
Compared structures
- 4R7H · Crystal structure of FMS KINASE domain with a small molecular inhibitor, PLX3397 · 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 0.94
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 4R7H · PDBe 4R7H · UniProt P07333
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