MolNFT v1 · #62021 · protein
Protein farnesyltransferase complexed with fpp and ethylenediamine scaffold inhibitor 7
3E33 · Protein FARNESYLTRANSFERASE/GERANYLGERANYLTRANSFERASE…: “Protein farnesyltransferase complexed with fpp and ethylenediamine scaffold inhibitor 7”. X-ray diffraction, 3 ligands (FPP, ED7, ZN), 14 pockets (best druggability 0.77).…
- PDB
- 3E33
- Type
- protein
- Length
- 730 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein FARNESYLTRANSFERASE/GERANYLGERANYLTRANSFERASE type-1 subunit alpha; Protein…
- EC
- 2.5.1.58, 2.5.1.59
- UniProt
- Q04631, Q02293
- Ligands
- FPP, ED7, ZN
- Pockets
- 14 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 59% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein FARNESYLTRANSFERASE/GERANYLGERANYLTRANSFERASE type-1 subunit alpha (EC 2.5.1.58, 2.5.1.59) | protein | 323 | 68% helix, 1% strand | Q04631 |
| B | Protein farnesyltransferase subunit beta (EC 2.5.1.58) | protein | 407 | 51% helix, 7% strand | Q02293 |
Ligands and binding sites
- FPP · Farnesyl diphosphate · ligand · chains A, B
- ED7 · N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide · ligand · chains A, B
- ZN · Zinc ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 100 | 0.77 | 0.97 | 25 | empty |
| 2 | 847 | 0.76 | 0.80 | 51 | FPP, ED7 |
| 3 | 253 | 0.72 | 0.87 | 45 | empty |
| 4 | 204 | 0.61 | 0.82 | 29 | empty |
| 5 | 275 | 0.51 | 0.74 | 37 | empty |
Interfaces
1 interface between chains.
- A–B · 3544 Ų buried · 74 hydrogen bonds · protein-protein
Compared structures
- 3E33 · Protein farnesyltransferase complexed with FPP and ethylenediamine scaffold inhibitor 7 · the same entry in another collection · chain A against A, TM-score 1.00
- Q02293 · AlphaFold monomer V2.0 prediction for protein farnesyltransferase subunit beta (Q02293) · a predicted model of the same protein · chain B against A, TM-score 0.98
- Q04631 · AlphaFold monomer V2.0 prediction for protein FARNESYLTRANSFERASE/GERANYLGERANYLTRANSFERAS… · 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 Q04631
- Every structure of UniProt Q02293
- Elsewhere: RCSB PDB 3E33 · PDBe 3E33 · UniProt Q04631 · UniProt Q02293
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