MolNFT v1 · #83320 · protein
Crystal structure of the human squalene synthase in complex with farnesyl thiopyrophosphate and magnesium ion
3WEG: “Crystal structure of the human squalene synthase in complex with farnesyl thiopyrophosphate and magnesium ion”. X-ray diffraction, 2 ligands (FPS, MG), 2 pockets (best druggability 0.77). MolNFT v1 #83320 on GenesisL1: 3D structure…
- PDB
- 3WEG
- Type
- protein
- Length
- 334 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Squalene synthase
- EC
- 2.5.1.21
- UniProt
- P37268
- Ligands
- FPS, MG
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Squalene synthase (EC 2.5.1.21) | protein | 334 | 74% helix, 0% strand | P37268 |
Ligands and binding sites
- FPS · S-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] trihydrogen thiodiphosphate · ligand · 2 copies · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 720 | 0.77 | 0.82 | 60 | MG, FPS |
| 2 | 155 | 0.57 | 0.81 | 18 | empty |
Compared structures
- 3WEG · Crystal structure of the human squalene synthase in complex with farnesyl… · the same entry in another collection · chain A against A, TM-score 1.00
- P37268 · AlphaFold monomer V2.0 prediction for squalene synthase (P37268) · a predicted model of the same protein · chain A 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 P37268
- Elsewhere: RCSB PDB 3WEG · PDBe 3WEG · UniProt P37268
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