Research workbench
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and bph-364
Analyse S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2E94
- Type
- protein
- Length
- 609 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
- 364, MG
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Geranylgeranyl pyrophosphate synthetase (EC 2.5.1.30) | protein | 303 | 77% helix, 1% strand | Q12051 |
| B | Geranylgeranyl pyrophosphate synthetase (EC 2.5.1.30) | protein | 306 | 76% helix, 1% strand | Q12051 |
Ligands and binding sites
- 364 · 3-biphenyl-3-yl-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · chains A
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 | 725 | 0.77 | 0.82 | 62 | 364 |
| 2 | 726 | 0.76 | 0.81 | 54 | MG, 364 |
| 3 | 73 | 0.37 | 0.77 | 16 | empty |
| 4 | 82 | 0.34 | 0.74 | 17 | empty |
| 5 | 97 | 0.33 | 0.73 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 3497 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 2E94 · S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-364 · 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 0.96
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 2E94 · PDBe 2E94 · UniProt Q12051
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