MolNFT v1 · #22456 · protein
Structure of the panton-valentine leucocidin S component from staphylococcus aureus
1T5R · Luks-pv: “Structure of the panton-valentine leucocidin S component from staphylococcus aureus”. X-ray diffraction, 11 pockets (best druggability 0.75). MolNFT v1 #22456 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1T5R
- Type
- protein
- Length
- 2,151 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Luks-pv
- UniProt
- O80066
- Pockets
- 11 · best druggability 0.75
Structure
x-ray diffraction · 8 distinct chains · 4% helix, 64% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Luks-pv | protein | 265 | 4% helix, 63% strand | O80066 |
| B | Luks-pv | protein | 271 | 4% helix, 62% strand | O80066 |
| C | Luks-pv | protein | 269 | 4% helix, 65% strand | O80066 |
| D | Luks-pv | protein | 267 | 4% helix, 64% strand | O80066 |
| E | Luks-pv | protein | 271 | 4% helix, 65% strand | O80066 |
| F | Luks-pv | protein | 269 | 4% helix, 65% strand | O80066 |
| G | Luks-pv | protein | 269 | 4% helix, 65% strand | O80066 |
| H | Luks-pv | protein | 270 | 4% helix, 65% strand | O80066 |
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1039 | 0.75 | 0.78 | 72 | empty |
| 2 | 939 | 0.74 | 0.78 | 69 | empty |
| 3 | 844 | 0.72 | 0.77 | 68 | empty |
| 4 | 1178 | 0.70 | 0.74 | 80 | empty |
| 5 | 154 | 0.40 | 0.73 | 23 | empty |
Interfaces
12 interfaces between chains.
- B–D · 523 Ų buried · 4 hydrogen bonds · protein-protein
- A–F · 476 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 303 Ų buried · 11 hydrogen bonds · protein-protein
- E–H · 286 Ų buried · 4 hydrogen bonds · protein-protein
- A–E · 280 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 1T5R · Structure of the panton-valentine leucocidin S component from staphylococcus aureus · 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 O80066
- Elsewhere: RCSB PDB 1T5R · PDBe 1T5R · UniProt O80066
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