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Crystal structure of sulfonamide resistance enzyme Sul2 in complex with 7,8-dihydropteroate, magnesium, and pyrophosphate
Analyse Crystal structure of sulfonamide resistance enzyme Sul2 in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7S2K
- Type
- protein
- Length
- 529 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.74
- Source
- uncultured bacterium
- Molecule
- Sul2
- Ligands
- 78H, POP, PAB, MG, CL
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · resolution 1.74 · 2 distinct chains · 49% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sul2 | protein | 268 | 48% helix, 13% strand | — |
| B | Sul2 | protein | 261 | 49% helix, 14% strand | — |
Ligands and binding sites
- 78H · 7,8-dihydropteroate · ligand · 2 copies · chains A, B
- POP · Pyrophosphate 2- · ligand · chains A
- PAB · 4-aminobenzoic acid · ligand · chains B
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 160 | 0.75 | 0.92 | 35 | 78H, POP, MG |
| 2 | 529 | 0.62 | 0.75 | 59 | empty |
| 3 | 187 | 0.62 | 0.83 | 28 | 78H, PAB |
| 4 | 86 | 0.41 | 0.78 | 20 | empty |
| 5 | 51 | 0.23 | 0.72 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 294 Ų buried · 4 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 7S2K · PDBe 7S2K
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