Research workbench
Structural and mechanistic studies of catalysis and sulfa drug resistance in dihydropteroate synthase
Analyse Structural and mechanistic studies of catalysis and sulfa drug resistance in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3V5O
- Type
- protein
- Length
- 520 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydropteroate synthase
- EC
- 2.5.1.15
- UniProt
- C3P9L8
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.30
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydropteroate synthase (EC 2.5.1.15) | protein | 262 | 48% helix, 15% strand | C3P9L8 |
| B | Dihydropteroate synthase (EC 2.5.1.15) | protein | 258 | 50% helix, 15% strand | C3P9L8 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 11 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 55 | 0.30 | 0.75 | 12 | empty |
| 2 | 68 | 0.29 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 329 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3V5O · Structural and Mechanistic Studies of Catalysis and Sulfa Drug Resistance in… · 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 C3P9L8
- Elsewhere: RCSB PDB 3V5O · PDBe 3V5O · UniProt C3P9L8
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