MolNFT v1 · #27048 · protein
Farnesyl transferase structure of jansen compound
1X81 · Protein FARNESYLTRANSFERASE/GERANYLGERANYLTRANSFERASE type…: “Farnesyl transferase structure of jansen compound”. X-ray diffraction, 2 ligands (JAN, ZN), 11 pockets (best druggability 0.75). MolNFT v1 #27048 on GenesisL1: 3D…
- PDB
- 1X81
- Type
- protein
- Length
- 712 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein FARNESYLTRANSFERASE/GERANYLGERANYLTRANSFERASE type I alpha subunit; Protein…
- EC
- 2.5.1.58, 2.5.1.59
- UniProt
- Q04631, Q02293
- Ligands
- JAN, ZN
- Pockets
- 11 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 55% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein FARNESYLTRANSFERASE/GERANYLGERANYLTRANSFERASE type I alpha subunit (EC 2.5.1.58, 2.5.1.59) | protein | 315 | 62% helix, 0% strand | Q04631 |
| B | Protein farnesyltransferase beta subunit (EC 2.5.1.58) | protein | 397 | 49% helix, 6% strand | Q02293 |
Ligands and binding sites
- JAN · 6-[(S)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1H)-one · ligand · chains B
- ZN · Zinc ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 917 | 0.75 | 0.78 | 57 | JAN |
| 2 | 309 | 0.72 | 0.85 | 44 | empty |
| 3 | 62 | 0.71 | 0.97 | 16 | empty |
| 4 | 296 | 0.53 | 0.75 | 43 | empty |
| 5 | 115 | 0.50 | 0.81 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 3469 Ų buried · 64 hydrogen bonds · protein-protein
Compared structures
- 1X81 · Farnesyl transferase structure of Jansen compound · 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 1X81 · PDBe 1X81 · UniProt Q04631 · UniProt Q02293
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