MolNFT v1 · #95709 · protein
Structure of the T244A mutant of the panton-valentine leucocidin component from staphylococcus aureus
4IYC · Luks-pv: “Structure of the T244A mutant of the panton-valentine leucocidin component from staphylococcus aureus”. X-ray diffraction, 9 pockets (best druggability 0.79). MolNFT v1 #95709 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4IYC
- Type
- protein
- Length
- 1,113 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Luks-pv
- UniProt
- O80066
- Pockets
- 9 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 4% helix, 64% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Luks-pv | protein | 277 | 4% helix, 64% strand | O80066 |
| B | Luks-pv | protein | 278 | 4% helix, 64% strand | O80066 |
| C | Luks-pv | protein | 280 | 4% helix, 64% strand | O80066 |
| D | Luks-pv | protein | 278 | 4% helix, 64% strand | O80066 |
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 812 | 0.79 | 0.82 | 63 | empty |
| 2 | 580 | 0.71 | 0.80 | 69 | empty |
| 3 | 441 | 0.66 | 0.79 | 60 | empty |
| 4 | 225 | 0.51 | 0.76 | 36 | empty |
| 5 | 78 | 0.44 | 0.80 | 19 | empty |
Interfaces
5 interfaces between chains.
- A–C · 617 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 498 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 251 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 250 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 234 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4IYC · Structure of the T244A mutant of the PANTON-VALENTINE LEUCOCIDIN component from… · 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 4IYC · PDBe 4IYC · UniProt O80066
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