MolNFT v1 · #83322 · protein
Crystal structure of the human squalene synthase Y73A mutant in complex with presqualene pyrophosphate
3WEI: “Crystal structure of the human squalene synthase Y73A mutant in complex with presqualene pyrophosphate”. X-ray diffraction, 2 ligands (PS7, MN), 2 pockets (best druggability 0.79). MolNFT v1 #83322 on GenesisL1: 3D structure…
- PDB
- 3WEI
- 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
- PS7, MN
- Pockets
- 2 · best druggability 0.79
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
- PS7 · {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate · ligand · chains A
- MN · Manganese (II) 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 | 771 | 0.79 | 0.82 | 63 | MN, PS7 |
| 2 | 97 | 0.51 | 0.82 | 18 | empty |
Compared structures
- 3WEI · Crystal structure of the human squalene synthase Y73A mutant in complex with presqualene… · 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 3WEI · PDBe 3WEI · UniProt P37268
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.