Research workbench
Tsn15 in complex with substrate intermediate
Analyse Tsn15 in complex with substrate intermediate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6NNW
- Type
- protein
- Length
- 411 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.7
- Source
- Streptomyces longisporoflavus
- Molecule
- Tetronasin
- Ligands
- KUJ, PO4
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · resolution 1.7 · 2 distinct chains · 18% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tetronasin | protein | 208 | 18% helix, 43% strand | — |
| B | Tetronasin | protein | 203 | 18% helix, 44% strand | — |
Ligands and binding sites
- KUJ · (3E)-3-{(1s,4s,4as,5r,8as)-1-[(2E,4R,7S,8E,10S)-1,7-dihydroxy-10-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3H-2-benzopyran-3-ylidene}oxolane-2, 4-dione · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · chains B
- PPI · Propanoic acid · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 389 | 0.80 | 0.89 | 37 | KUJ |
| 2 | 429 | 0.79 | 0.87 | 36 | KUJ |
| 3 | 270 | 0.50 | 0.74 | 34 | empty |
| 4 | 56 | 0.41 | 0.82 | 23 | empty |
| 5 | 60 | 0.36 | 0.79 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1855 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6NNW · TSN15 in complex with substrate intermediate · 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
- Elsewhere: RCSB PDB 6NNW · PDBe 6NNW
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