Research workbench
Crystal structure of rat protein farnesyltransferase complexed with a bezoruran inhibitor and fpp
Analyse Crystal structure of rat protein farnesyltransferase complexed with a bezoruran… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2ZIS
- Type
- protein
- Length
- 715 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein farnesyltransferase subunit alpha; Protein farnesyltransferase subunit beta
- EC
- 2.5.1.58
- UniProt
- Q04631, Q02293
- Ligands
- FPP, NH8, ZN
- Pockets
- 13 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 59% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein farnesyltransferase subunit alpha (EC 2.5.1.58) | protein | 314 | 68% helix, 1% strand | Q04631 |
| B | Protein farnesyltransferase subunit beta (EC 2.5.1.58) | protein | 401 | 51% helix, 6% strand | Q02293 |
Ligands and binding sites
- FPP · Farnesyl diphosphate · ligand · chains A, B
- NH8 · 3-{2-[(S)-(4-cyanophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-5-nitro-1-benzofuran-7-yl}benzonitrile · ligand · chains A, B
- ZN · Zinc ion · metal · chains B
- GOL · Glycerol · additive · 3 copies · chains A, B
- ACY · Acetic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1157 | 0.80 | 0.81 | 101 | FPP, NH8 |
| 2 | 75 | 0.72 | 0.96 | 20 | empty |
| 3 | 189 | 0.62 | 0.83 | 27 | ACY |
| 4 | 231 | 0.54 | 0.77 | 27 | empty |
| 5 | 58 | 0.44 | 0.83 | 17 | GOL |
Interfaces
1 interface between chains.
- A–B · 3545 Ų buried · 69 hydrogen bonds · protein-protein
Compared structures
- 2ZIS · Crystal Structure of rat protein farnesyltransferase complexed with a bezoruran inhibitor… · 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 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 0.99
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 2ZIS · PDBe 2ZIS · UniProt Q04631 · UniProt Q02293
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.