MolNFT v1 · #153692 · protein
Crystal structure of human tyrosine-protein kinase FES/FPS in complex with compound 4
6JMF: “Crystal structure of human tyrosine-protein kinase FES/FPS in complex with compound 4”. X-ray diffraction, 2 ligands (9FC, SO4), 3 pockets (best druggability 0.66). MolNFT v1 #153692 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6JMF
- Type
- protein
- Length
- 372 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase FES/FPS
- EC
- 2.7.10.2
- UniProt
- P07332
- Ligands
- 9FC, SO4
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase FES/FPS (EC 2.7.10.2) | protein | 372 | 34% helix, 22% strand | P07332 |
Ligands and binding sites
- 9FC · 6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 335 | 0.66 | 0.80 | 48 | SO4, 9FC |
| 2 | 126 | 0.61 | 0.85 | 18 | empty |
| 3 | 158 | 0.47 | 0.76 | 22 | SO4 |
Compared structures
- 6JMF · Crystal structure of human tyrosine-protein kinase Fes/Fps in complex with compound 4 · the same entry in another collection · chain A against A, TM-score 1.00
- P07332 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase FES/FPS (P07332) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 P07332
- Elsewhere: RCSB PDB 6JMF · PDBe 6JMF · UniProt P07332
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