MolNFT v1 · #23329 · protein
Dihydropteroate synthetase, with bound substrate analogue ptpp, from bacillus anthracis
1TWW · Dhps, dihydropteroate synthase: “Dihydropteroate synthetase, with bound substrate analogue ptpp, from bacillus anthracis”. X-ray diffraction, 2 ligands (HH2, SO4), 2 pockets (best druggability 0.53). MolNFT v1 #23329 on GenesisL1…
- PDB
- 1TWW
- 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
- HH2, SO4
- Pockets
- 2 · best druggability 0.53
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 | 266 | 48% helix, 15% strand | Q81VW8 |
| B | Dhps, dihydropteroate synthase (EC 2.5.1.15) | protein | 260 | 49% helix, 15% strand | Q81VW8 |
Ligands and binding sites
- HH2 · 6-hydroxymethylpterin-diphosphate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 8 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 214 | 0.53 | 0.77 | 39 | HH2 |
| 2 | 106 | 0.43 | 0.78 | 26 | HH2 |
Interfaces
1 interface between chains.
- A–B · 339 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 1TWW · Dihydropteroate Synthetase, With Bound Substrate Analogue PtPP, 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 1TWW · PDBe 1TWW · UniProt Q81VW8
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