Research workbench
Crystal structure of dihydropteroate synthetase with PRODUCT1
Analyse Crystal structure of dihydropteroate synthetase with PRODUCT1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TYU
- Type
- protein
- Length
- 503 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 7,8-dihydropteroate synthase
- EC
- 2.5.1.15
- UniProt
- Q7CKJ1
- Ligands
- PT1
- Pockets
- 5 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 7,8-dihydropteroate synthase (EC 2.5.1.15) | protein | 265 | 47% helix, 16% strand | Q7CKJ1 |
| B | 7,8-dihydropteroate synthase (EC 2.5.1.15) | protein | 238 | 48% helix, 18% strand | Q7CKJ1 |
Ligands and binding sites
- PT1 · Pteroic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 222 | 0.58 | 0.80 | 36 | PT1 |
| 2 | 96 | 0.44 | 0.79 | 23 | empty |
| 3 | 60 | 0.30 | 0.75 | 12 | empty |
| 4 | 50 | 0.28 | 0.74 | 10 | empty |
| 5 | 61 | 0.27 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1176 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3TYU · Crystal Structure of Dihydropteroate synthetase with Product1 · 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 Q7CKJ1
- Elsewhere: RCSB PDB 3TYU · PDBe 3TYU · UniProt Q7CKJ1
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