Research workbench
Imidazole and cyanophenyl farnesyl transferase inhibitors
Analyse Imidazole and cyanophenyl farnesyl transferase inhibitors in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1NI1
- Type
- protein
- Length
- 713 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein farnesyltransferase alpha subunit; Protein farnesyltransferase beta subunit
- EC
- 2.5.1.-
- UniProt
- Q04631, Q02293
- Ligands
- HFP, 2C5, ZN
- Pockets
- 10 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein farnesyltransferase alpha subunit (EC 2.5.1.-) | protein | 312 | 61% helix, 1% strand | Q04631 |
| B | Protein farnesyltransferase beta subunit (EC 2.5.1.-) | protein | 401 | 49% helix, 5% strand | Q02293 |
Ligands and binding sites
- HFP · Alpha-hydroxyfarnesylphosphonic acid · ligand · chains A, B
- 2C5 · 2-chloro-5-(3-chloro-phenyl)-6-[(4-cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)- methoxymethyl]-nicotinonitrile · 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
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 125 | 0.76 | 0.95 | 25 | empty |
| 2 | 872 | 0.75 | 0.79 | 64 | HFP, 2C5 |
| 3 | 245 | 0.73 | 0.88 | 41 | empty |
| 4 | 379 | 0.64 | 0.79 | 50 | empty |
| 5 | 246 | 0.57 | 0.79 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 3437 Ų buried · 64 hydrogen bonds · protein-protein
Compared structures
- 1NI1 · Imidazole and cyanophenyl farnesyl transferase inhibitors · the same entry in another collection · chain A against A, TM-score 1.00
- Q04631 · AlphaFold monomer V2.0 prediction for protein FARNESYLTRANSFERASE/GERANYLGERANYLTRANSFERAS… · a predicted model of the same protein · chain A against A, TM-score 0.99
- 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 0.99
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 1NI1 · PDBe 1NI1 · UniProt Q04631 · UniProt Q02293
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.