MolNFT v1 · #56195 · protein
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with inhibitor bph-742
2Z7I · Geranylgeranyl pyrophosphate synthetase: “S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with inhibitor bph-742”. X-ray diffraction, 2 ligands (742, MG), 9 pockets (best druggability 0.81). MolNFT v1 #56195 on…
- PDB
- 2Z7I
- Type
- protein
- Length
- 630 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Geranylgeranyl pyrophosphate synthetase
- EC
- 2.5.1.30, 2.5.1.1, 2.5.1.10, 2.5.1.29
- UniProt
- Q12051
- Ligands
- 742, MG
- Pockets
- 9 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 76% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Geranylgeranyl pyrophosphate synthetase (EC 2.5.1.30, 2.5.1.1, 2.5.1.10, 2.5.1.29) | protein | 313 | 76% helix, 1% strand | Q12051 |
| B | Geranylgeranyl pyrophosphate synthetase (EC 2.5.1.30, 2.5.1.1, 2.5.1.10, 2.5.1.29) | protein | 317 | 76% helix, 1% strand | Q12051 |
Ligands and binding sites
- 742 · (2,2-diphosphonoethyl)(dodecyl)dimethylphosphonium · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 607 | 0.81 | 0.86 | 61 | 742, MG |
| 2 | 562 | 0.79 | 0.85 | 53 | 742, MG |
| 3 | 102 | 0.55 | 0.84 | 16 | empty |
| 4 | 108 | 0.52 | 0.82 | 14 | empty |
| 5 | 98 | 0.39 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 3425 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 2Z7I · S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with inhibitor BPH-742 · 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 A 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 2Z7I · PDBe 2Z7I · UniProt Q12051
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