MolNFT v1 · #98901 · protein
Aspergillus fumigatus protein farnesyltransferase complex with farnesyldiphosphate and tipifarnib
4LNG · Caax farnesyltransferase alpha subunit RAM2: “Aspergillus fumigatus protein farnesyltransferase complex with farnesyldiphosphate and tipifarnib”. X-ray diffraction, 4 ligands (JAN, FPP, ZN), 9 pockets (best druggability 0.79).…
- PDB
- 4LNG
- Type
- protein
- Length
- 781 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Caax farnesyltransferase alpha subunit RAM2; Caax farnesyltransferase beta subunit RAM1
- EC
- 2.5.1.-, 2.5.1.58
- UniProt
- Q4WP27, Q4WPS9
- Ligands
- JAN, FPP, ZN, K
- Pockets
- 9 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Caax farnesyltransferase alpha subunit RAM2 (EC 2.5.1.-) | protein | 335 | 64% helix, 0% strand | Q4WP27 |
| B | Caax farnesyltransferase beta subunit RAM1 (EC 2.5.1.58) | protein | 446 | 46% helix, 7% strand | Q4WPS9 |
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 A, B
- FPP · Farnesyl diphosphate · ligand · chains A, B
- ZN · Zinc ion · metal · chains B
- K · Potassium ion · metal · chains A, B
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1058 | 0.79 | 0.81 | 84 | JAN, FPP, EDO, K |
| 2 | 512 | 0.79 | 0.86 | 54 | empty |
| 3 | 371 | 0.70 | 0.83 | 49 | empty |
| 4 | 63 | 0.58 | 0.90 | 24 | EDO |
| 5 | 87 | 0.52 | 0.84 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 3676 Ų buried · 72 hydrogen bonds · protein-protein
Compared structures
- 4LNG · Aspergillus fumigatus protein farnesyltransferase complex with farnesyldiphosphate and… · the same entry in another collection · chain B against B, TM-score 1.00
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 Q4WP27
- Every structure of UniProt Q4WPS9
- Elsewhere: RCSB PDB 4LNG · PDBe 4LNG · UniProt Q4WP27 · UniProt Q4WPS9
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