MolNFT v1 · #59942 · protein
Crystal structure of phosphorylated human feline sarcoma viral oncogene homologue (V-fes) in complex with staurosporine and a consensus peptide
3CD3 · Proto-oncogene tyrosine-protein kinase FES/FPS: “Crystal structure of phosphorylated human feline sarcoma viral oncogene homologue (V-fes) in complex with…”. X-ray diffraction, 3 ligands (STU, ACE, CL), 3 pockets (best druggability…
- PDB
- 3CD3
- Type
- protein
- Length
- 358 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proto-oncogene tyrosine-protein kinase FES/FPS; Synthetic peptide
- EC
- 2.7.10.2
- UniProt
- P07332
- Ligands
- STU, ACE, CL
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proto-oncogene tyrosine-protein kinase FES/FPS (EC 2.7.10.2) | protein | 353 | 38% helix, 20% strand | P07332 |
| B | Synthetic peptide | protein | 5 | 0% helix, 60% strand | — |
Ligands and binding sites
- STU · Staurosporine · ligand · 3 copies · chains A
- ACE · Acetyl group · ligand · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
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 | 284 | 0.65 | 0.81 | 33 | STU |
| 2 | 95 | 0.58 | 0.86 | 19 | empty |
| 3 | 129 | 0.45 | 0.78 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 451 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent, 1 modified (covalent ligand, phosphorylation).
Compared structures
- 3CD3 · Crystal structure of phosphorylated human feline sarcoma viral oncogene homologue (v-FES)… · 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 0.98
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 P07332
- Elsewhere: RCSB PDB 3CD3 · PDBe 3CD3 · UniProt P07332
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