MolNFT v1 · #187306 · protein
Crystal structure of HLA A*1101 in complex with rvlvngtflk, an 10-mer epitope from influenza B
7S8S · HLA class I histocompatibility antigen, a alpha chain: “Crystal structure of HLA A*1101 in complex with rvlvngtflk, an 10-mer epitope from influenza B”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.68). MolNFT…
- PDB
- 7S8S
- Type
- protein
- Length
- 384 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, a alpha chain; Beta-2-microglobulin…
- UniProt
- U5YJK1, P61769, P12601
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, a alpha chain | protein | 274 | 27% helix, 40% strand | U5YJK1 |
| B | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| C | Non-structural protein 1 peptide rvlvngtflk | protein | 10 | 0% helix, 0% strand | P12601 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 657 | 0.68 | 0.77 | 63 | empty |
| 2 | 153 | 0.48 | 0.78 | 27 | empty |
| 3 | 74 | 0.36 | 0.76 | 15 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1363 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 976 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7S8S · Crystal Structure of HLA A*1101 in complex with RVLVNGTFLK, an 10-mer epitope from… · the same entry in another collection · chain A against A, TM-score 1.00
- P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · 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 U5YJK1
- Every structure of UniProt P61769
- Every structure of UniProt P12601
- Elsewhere: RCSB PDB 7S8S · PDBe 7S8S · UniProt U5YJK1 · UniProt P61769 · UniProt P12601
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