MolNFT v1 · #35353 · protein
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium, fspp and ipp
2E8T · Geranylgeranyl pyrophosphate synthetase: “S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium, fspp and ipp”. X-ray diffraction, 3 ligands (IPE, FPS, MG), 6 pockets (best druggability 0.75). MolNFT v1…
- PDB
- 2E8T
- Type
- protein
- Length
- 594 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Geranylgeranyl pyrophosphate synthetase
- EC
- 2.5.1.30
- UniProt
- Q12051
- Ligands
- IPE, FPS, MG
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 75% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Geranylgeranyl pyrophosphate synthetase (EC 2.5.1.30) | protein | 299 | 75% helix, 1% strand | Q12051 |
| B | Geranylgeranyl pyrophosphate synthetase (EC 2.5.1.30) | protein | 295 | 75% helix, 1% strand | Q12051 |
Ligands and binding sites
- IPE · 3-methylbut-3-enyl trihydrogen diphosphate · ligand · 2 copies · chains A, B
- FPS · S-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] trihydrogen thiodiphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 562 | 0.75 | 0.82 | 52 | MG, IPE, FPS |
| 2 | 440 | 0.75 | 0.84 | 43 | MG, IPE, FPS |
| 3 | 74 | 0.38 | 0.77 | 15 | empty |
| 4 | 67 | 0.31 | 0.75 | 16 | empty |
| 5 | 75 | 0.30 | 0.73 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 3441 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 2E8T · S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium, FsPP and… · the same entry in another collection · chain A against A, TM-score 1.00
- Q12051 · AlphaFold monomer V2.0 prediction for geranylgeranyl pyrophosphate synthase (Q12051) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q12051
- Elsewhere: RCSB PDB 2E8T · PDBe 2E8T · UniProt Q12051
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