Research workbench
Simvastatin synthase (lovd) from aspergillus terreus, unliganded
Analyse Simvastatin synthase (lovd) from aspergillus terreus, unliganded in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3HL9
- Type
- protein
- Length
- 1,572 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transesterase
- UniProt
- Q9Y7D1
- Pockets
- 15 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Transesterase | protein | 393 | 38% helix, 17% strand | Q9Y7D1 |
Pockets
15 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1097 | 0.80 | 0.82 | 119 | empty |
| 2 | 1137 | 0.76 | 0.78 | 86 | empty |
| 3 | 429 | 0.64 | 0.78 | 45 | empty |
| 4 | 57 | 0.53 | 0.88 | 20 | empty |
| 5 | 155 | 0.52 | 0.79 | 28 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1418 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 1037 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 750 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 168 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 39 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3HL9 · Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y7D1 · AlphaFold monomer V2.0 prediction for monacolin J acid methylbutanoyltransferase (Q9Y7D1) · 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 Q9Y7D1
- Elsewhere: RCSB PDB 3HL9 · PDBe 3HL9 · UniProt Q9Y7D1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.