Research workbench
Dihydropteroate synthetase, with bound inhibitor manic, from bacillus anthracis
Analyse Dihydropteroate synthetase, with bound inhibitor manic, from bacillus anthracis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1TX2
- Type
- protein
- Length
- 530 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
- 680, SO4
- Pockets
- 3 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dhps, dihydropteroate synthase (EC 2.5.1.15) | protein | 269 | 48% helix, 15% strand | Q81VW8 |
| B | Dhps, dihydropteroate synthase (EC 2.5.1.15) | protein | 261 | 49% helix, 16% strand | Q81VW8 |
Ligands and binding sites
- 680 · 6-methylamino-5-nitroisocytosine · 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
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 169 | 0.49 | 0.77 | 31 | SO4, 680 |
| 2 | 54 | 0.35 | 0.79 | 14 | SO4, 680 |
| 3 | 80 | 0.32 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 368 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1TX2 · Dihydropteroate Synthetase, With Bound Inhibitor MANIC, From Bacillus anthracis · 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 1TX2 · PDBe 1TX2 · UniProt Q81VW8
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