Research workbench
Simvastatin synthase (lovd), from aspergillus terreus, LOVD9 mutant (SIMH9014)
Analyse Simvastatin synthase (lovd), from aspergillus terreus, LOVD9 mutant (SIMH9014) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4LCM
- 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
- 20 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Transesterase | protein | 393 | 38% helix, 18% strand | Q9Y7D1 |
Pockets
20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 900 | 0.69 | 0.74 | 60 | empty |
| 2 | 430 | 0.66 | 0.79 | 52 | empty |
| 3 | 508 | 0.65 | 0.77 | 57 | empty |
| 4 | 378 | 0.62 | 0.78 | 42 | empty |
| 5 | 272 | 0.58 | 0.78 | 33 | empty |
Interfaces
4 interfaces between chains.
- B–C · 885 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 871 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 816 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 179 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4LCM · Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD9 mutant (simh9014) · 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 0.97
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 4LCM · PDBe 4LCM · UniProt Q9Y7D1
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