MolNFT v1 · #16662 · protein
Structure of fpt bound to the inhibitor SCH66336
1O5M · Protein farnesyltransferase alpha subunit: “Structure of fpt bound to the inhibitor SCH66336”. X-ray diffraction, 3 ligands (FPP, 336, ZN), 14 pockets (best druggability 0.76). MolNFT v1 #16662 on GenesisL1: 3D structure, binding…
- PDB
- 1O5M
- Type
- protein
- Length
- 716 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
- FPP, 336, ZN
- Pockets
- 14 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 59% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein farnesyltransferase alpha subunit (EC 2.5.1.-) | protein | 315 | 69% helix, 1% strand | Q04631 |
| B | Protein farnesyltransferase beta subunit (EC 2.5.1.-) | protein | 401 | 52% helix, 6% strand | Q02293 |
Ligands and binding sites
- FPP · Farnesyl diphosphate · ligand · chains A, B
- 336 · 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide · 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, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 842 | 0.76 | 0.80 | 52 | FPP, 336 |
| 2 | 176 | 0.75 | 0.92 | 31 | empty |
| 3 | 72 | 0.74 | 0.98 | 17 | empty |
| 4 | 230 | 0.63 | 0.82 | 26 | empty |
| 5 | 184 | 0.55 | 0.80 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 3489 Ų buried · 64 hydrogen bonds · protein-protein
Compared structures
- 1O5M · Structure of FPT bound to the inhibitor SCH66336 · 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 1O5M · PDBe 1O5M · UniProt Q04631 · UniProt Q02293
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