MolNFT v1 · #145370 · protein
Staphylococcus aureus dihydropteroate synthase (sadhps) F17L E208K double mutant structure
6CLU: “Staphylococcus aureus dihydropteroate synthase (sadhps) F17L E208K double mutant structure”. X-ray diffraction, 7 pockets (best druggability 0.62). MolNFT v1 #145370 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6CLU
- Type
- protein
- Length
- 946 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydropteroate synthase
- EC
- 2.5.1.15
- UniProt
- O05701
- Pockets
- 7 · best druggability 0.62
Structure
x-ray diffraction · 4 distinct chains · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dihydropteroate synthase (EC 2.5.1.15) | protein | 253 | 49% helix, 14% strand | O05701 |
| B | Dihydropteroate synthase (EC 2.5.1.15) | protein | 212 | 53% helix, 17% strand | O05701 |
| C | Dihydropteroate synthase (EC 2.5.1.15) | protein | 230 | 54% helix, 15% strand | O05701 |
| D | Dihydropteroate synthase (EC 2.5.1.15) | protein | 251 | 50% helix, 14% strand | O05701 |
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 510 | 0.62 | 0.75 | 64 | empty |
| 2 | 194 | 0.52 | 0.78 | 31 | empty |
| 3 | 155 | 0.49 | 0.78 | 31 | empty |
| 4 | 108 | 0.47 | 0.80 | 19 | empty |
| 5 | 118 | 0.37 | 0.73 | 20 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1289 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 1096 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 203 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 96 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6CLU · Staphylococcus aureus Dihydropteroate Synthase (saDHPS) F17L E208K double mutant structure · the same entry in another collection · chain D against D, TM-score 1.00
- O05701 · AlphaFold monomer V2.0 prediction for dihydropteroate synthase (O05701) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 O05701
- Elsewhere: RCSB PDB 6CLU · PDBe 6CLU · UniProt O05701
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