MolNFT v1 · #13796 · protein
Crystal structure of the D227A variant of staphylococcal enterotoxin a in complex with human MHC class II
1LO5 · HLA class II histocompatibility antigen, dr alpha chain: “Crystal structure of the D227A variant of staphylococcal enterotoxin a in complex with human MHC class II”. X-ray diffraction, 6 pockets (best druggability 0.50). MolNFT v1…
- PDB
- 1LO5
- Type
- protein
- Length
- 613 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class II histocompatibility antigen, dr alpha chain; HLA class II histocompatibility…
- UniProt
- P01903, P04229, P0A0L2
- Pockets
- 6 · best druggability 0.50
Structure
x-ray diffraction · 4 distinct chains · 17% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class II histocompatibility antigen, dr alpha chain | protein | 179 | 14% helix, 46% strand | P01903 |
| B | HLA class II histocompatibility antigen, dr-1 beta chain | protein | 188 | 18% helix, 38% strand | P04229 |
| C | Hemagglutinin peptide | protein | 13 | 0% helix, 8% strand | — |
| D | Enterotoxin a | protein | 233 | 20% helix, 27% strand | P0A0L2 |
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 242 | 0.50 | 0.75 | 25 | empty |
| 2 | 59 | 0.48 | 0.85 | 21 | empty |
| 3 | 191 | 0.47 | 0.74 | 22 | empty |
| 4 | 173 | 0.46 | 0.76 | 27 | empty |
| 5 | 86 | 0.37 | 0.76 | 13 | empty |
Interfaces
4 interfaces between chains.
- A–B · 2481 Ų buried · 45 hydrogen bonds · protein-protein
- B–C · 691 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 686 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 585 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1LO5 · Crystal structure of the D227A variant of Staphylococcal enterotoxin A in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A0L2 · AlphaFold monomer V2.0 prediction for enterotoxin type a (P0A0L2) · a predicted model of the same protein · chain D against A, TM-score 0.96
- P01903 · AlphaFold monomer V2.0 prediction for HLA class II histocompatibility antigen, dr alpha… · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P01903
- Every structure of UniProt P04229
- Every structure of UniProt P0A0L2
- Elsewhere: RCSB PDB 1LO5 · PDBe 1LO5 · UniProt P01903 · UniProt P04229 · UniProt P0A0L2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.