MolNFT v1 · #101780 · protein
Crystal structure of staphylococcal superantigen-like protein SAOUHSC_00383
4O1N: “Crystal structure of staphylococcal superantigen-like protein SAOUHSC_00383”. X-ray diffraction, 7 pockets (best druggability 0.73). MolNFT v1 #101780 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4O1N
- Type
- protein
- Length
- 1,136 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Superantigen-like protein
- UniProt
- Q2G0X9
- Pockets
- 7 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 18% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, E | Superantigen-like protein | protein | 189 | 18% helix, 43% strand | Q2G0X9 |
| D, F | Superantigen-like protein | protein | 190 | 18% helix, 45% strand | Q2G0X9 |
Ligands and binding sites
- GOL · Glycerol · additive · 3 copies · chains A, B, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1004 | 0.73 | 0.76 | 82 | empty |
| 2 | 926 | 0.70 | 0.75 | 60 | empty |
| 3 | 297 | 0.61 | 0.79 | 38 | empty |
| 4 | 158 | 0.42 | 0.74 | 21 | empty |
| 5 | 76 | 0.30 | 0.73 | 11 | empty |
Interfaces
7 interfaces between chains.
- A–B · 693 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 673 Ų buried · 9 hydrogen bonds · protein-protein
- C–E · 185 Ų buried · 3 hydrogen bonds · protein-protein
- E–F · 158 Ų buried · 2 hydrogen bonds · protein-protein
- B–E · 118 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4O1N · Crystal structure of Staphylococcal superantigen-like protein SAOUHSC_00383 · the same entry in another collection · chain F against F, TM-score 1.00
- Q2G0X9 · AlphaFold monomer V2.0 prediction for staphylococcal superantigen- like 1 (Q2G0X9) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q2G0X9
- Elsewhere: RCSB PDB 4O1N · PDBe 4O1N · UniProt Q2G0X9
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