MolNFT v1 · #82325 · protein
Crystal structure of the human squalene synthase
3VJB: “Crystal structure of the human squalene synthase”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #82325 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3VJB
- Type
- protein
- Length
- 1,973 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Squalene synthase
- EC
- 2.5.1.21
- UniProt
- P37268
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 6 distinct chains · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Squalene synthase (EC 2.5.1.21) | protein | 323 | 72% helix, 0% strand | P37268 |
| B | Squalene synthase (EC 2.5.1.21) | protein | 333 | 71% helix, 0% strand | P37268 |
| C | Squalene synthase (EC 2.5.1.21) | protein | 334 | 69% helix, 0% strand | P37268 |
| D | Squalene synthase (EC 2.5.1.21) | protein | 330 | 70% helix, 0% strand | P37268 |
| E | Squalene synthase (EC 2.5.1.21) | protein | 329 | 70% helix, 0% strand | P37268 |
| F | Squalene synthase (EC 2.5.1.21) | protein | 324 | 73% helix, 0% strand | P37268 |
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1068 | 0.81 | 0.83 | 102 | empty |
| 2 | 927 | 0.80 | 0.82 | 63 | empty |
| 3 | 895 | 0.77 | 0.80 | 81 | empty |
| 4 | 704 | 0.76 | 0.81 | 53 | empty |
| 5 | 768 | 0.75 | 0.80 | 68 | empty |
Interfaces
11 interfaces between chains.
- A–B · 1030 Ų buried · 16 hydrogen bonds · protein-protein
- D–E · 1025 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 1001 Ų buried · 9 hydrogen bonds · protein-protein
- E–F · 951 Ų buried · 7 hydrogen bonds · protein-protein
- D–F · 947 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
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 3VJB · PDBe 3VJB · UniProt P37268
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