MolNFT v1 · #93726 · protein
The structure of dihydropteroate synthase from staphylococcus aureus subsp. aureus MU50.
4HB7: “The structure of dihydropteroate synthase from staphylococcus aureus subsp. aureus MU50.”. X-ray diffraction, 2 pockets (best druggability 0.56). MolNFT v1 #93726 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4HB7
- Type
- protein
- Length
- 506 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydropteroate synthase
- EC
- 2.5.1.15
- UniProt
- P64141
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dihydropteroate synthase (EC 2.5.1.15) | protein | 253 | 49% helix, 15% strand | P64141 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 7 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 | 260 | 0.56 | 0.78 | 37 | empty |
| 2 | 176 | 0.55 | 0.80 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 1598 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4HB7 · The Structure of Dihydropteroate Synthase from Staphylococcus aureus subsp. aureus Mu50. · the same entry in another collection · chain A against A, TM-score 1.00
- P64141 · AlphaFold monomer V2.0 prediction for dihydropteroate synthase (P64141) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P64141
- Elsewhere: RCSB PDB 4HB7 · PDBe 4HB7 · UniProt P64141
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