Research workbench
Dihydropteroate synthetase, with bound product analogue pteroic acid, from bacillus anthracis
Analyse Dihydropteroate synthetase, with bound product analogue pteroic acid, from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1TX0
- Type
- protein
- Length
- 526 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dhps, dihydropteroate synthase
- EC
- 2.5.1.15
- UniProt
- Q81VW8
- Ligands
- PT1, SO4
- Pockets
- 4 · best druggability 0.40
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dhps, dihydropteroate synthase (EC 2.5.1.15) | protein | 265 | 49% helix, 15% strand | Q81VW8 |
| B | Dhps, dihydropteroate synthase (EC 2.5.1.15) | protein | 261 | 49% helix, 15% strand | Q81VW8 |
Ligands and binding sites
- PT1 · Pteroic acid · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 10 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 85 | 0.40 | 0.78 | 22 | SO4, PT1 |
| 2 | 51 | 0.36 | 0.80 | 14 | SO4, PT1 |
| 3 | 55 | 0.30 | 0.75 | 11 | empty |
| 4 | 66 | 0.28 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 329 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 1TX0 · Dihydropteroate Synthetase, With Bound Product Analogue Pteroic Acid, From Bacillus… · 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 Q81VW8
- Elsewhere: RCSB PDB 1TX0 · PDBe 1TX0 · UniProt Q81VW8
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