Research workbench
The crystal structure of PloI4-C16M/D46A/I137V
Analyse The crystal structure of PloI4-C16M/D46A/I137V in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7X80
- Type
- protein
- Length
- 290 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.97
- Source
- Micromonospora sp.
- Molecule
- PloI4
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · resolution 1.97 · 2 distinct chains · 5% helix, 63% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PloI4 | protein | 148 | 5% helix, 61% strand | — |
| B | PloI4 | protein | 142 | 5% helix, 65% strand | — |
Ligands and binding sites
- GOL · Glycerol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 305 | 0.76 | 0.87 | 31 | GOL |
| 2 | 266 | 0.72 | 0.86 | 33 | GOL |
| 3 | 166 | 0.48 | 0.77 | 29 | empty |
| 4 | 82 | 0.36 | 0.76 | 22 | GOL |
Interfaces
1 interface between chains.
- A–B · 1796 Ų buried · 21 hydrogen bonds · protein-protein
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 7X80 · PDBe 7X80
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