Research workbench
Redj-thioesterase from the prodiginine biosynthetic pathway in streptomyces coelicolor
Analyse Redj-thioesterase from the prodiginine biosynthetic pathway in streptomyces… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QMV
- Type
- protein
- Length
- 1,032 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioesterase
- EC
- 3.1.2.-
- UniProt
- O54157
- Pockets
- 13 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 42% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioesterase (EC 3.1.2.-) | protein | 244 | 39% helix, 16% strand | O54157 |
| B | Thioesterase (EC 3.1.2.-) | protein | 254 | 44% helix, 15% strand | O54157 |
| C | Thioesterase (EC 3.1.2.-) | protein | 268 | 42% helix, 13% strand | O54157 |
| D | Thioesterase (EC 3.1.2.-) | protein | 266 | 42% helix, 13% strand | O54157 |
Pockets
13 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 125 | 0.76 | 0.95 | 25 | empty |
| 2 | 101 | 0.76 | 0.96 | 25 | empty |
| 3 | 116 | 0.76 | 0.95 | 24 | empty |
| 4 | 105 | 0.75 | 0.95 | 23 | empty |
| 5 | 629 | 0.68 | 0.77 | 92 | empty |
Interfaces
4 interfaces between chains.
- B–D · 2217 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 2160 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 261 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 27 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3QMV · RedJ-Thioesterase from the Prodiginine biosynthetic pathway in Streptomyces coelicolor · the same entry in another collection · chain A against A, TM-score 1.00
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 O54157
- Elsewhere: RCSB PDB 3QMV · PDBe 3QMV · UniProt O54157
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