MolNFT v1 · #90099 · protein
Crystal structure of human feline sarcoma viral oncogene homologue (V- FES)IN complex with TAE684
4E93 · Tyrosine-protein kinase FES/FPS: “Crystal structure of human feline sarcoma viral oncogene homologue (V- FES)IN complex with TAE684”. X-ray diffraction, 1 ligand (GUI), 3 pockets (best druggability 0.59). MolNFT v1 #90099 on…
- PDB
- 4E93
- Type
- protein
- Length
- 361 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
- GUI
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase FES/FPS (EC 2.7.10.2) | protein | 361 | 36% helix, 20% strand | P07332 |
Ligands and binding sites
- GUI · 5-chloro-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N'-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine · ligand · 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 | 210 | 0.59 | 0.80 | 21 | GUI |
| 2 | 76 | 0.55 | 0.86 | 17 | empty |
| 3 | 102 | 0.44 | 0.79 | 18 | empty |
Compared structures
- 4E93 · Crystal structure of human Feline Sarcoma Viral Oncogene Homologue (v-FES)in complex with… · 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 0.97
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 4E93 · PDBe 4E93 · UniProt P07332
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