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Crystal structure of dihydropteroate synthase from thermus thermophilus HB8 in complex with 6HMPPP
Analyse Crystal structure of dihydropteroate synthase from thermus thermophilus HB8 in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2DZB
- Type
- protein
- Length
- 498 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydropteroate synthase
- EC
- 2.5.1.15
- UniProt
- Q5SLV2
- Ligands
- HH2
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydropteroate synthase (EC 2.5.1.15) | protein | 251 | 47% helix, 17% strand | Q5SLV2 |
| B | Dihydropteroate synthase (EC 2.5.1.15) | protein | 247 | 43% helix, 17% strand | Q5SLV2 |
Ligands and binding sites
- HH2 · 6-hydroxymethylpterin-diphosphate · ligand · 2 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 241 | 0.55 | 0.78 | 35 | HH2 |
| 2 | 209 | 0.54 | 0.78 | 37 | HH2 |
Interfaces
1 interface between chains.
- A–B · 1197 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2DZB · Crystal Structure of Dihydropteroate Synthase from Thermus thermophilus HB8 in complex… · 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 Q5SLV2
- Elsewhere: RCSB PDB 2DZB · PDBe 2DZB · UniProt Q5SLV2
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