MolNFT v1 · #187304 · protein
Crystal structure of HLA A*1101 in complex with ktngnafigk, an 10-mer epitope from influenza B
7S8Q · HLA class I histocompatibility antigen, a alpha chain: “Crystal structure of HLA A*1101 in complex with ktngnafigk, an 10-mer epitope from influenza B”. X-ray diffraction, 7 pockets (best druggability 0.78). MolNFT v1 #187304 on…
- PDB
- 7S8Q
- Type
- protein
- Length
- 769 residues
- Chains
- 6
- 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, P04666
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 22% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, a alpha chain | protein | 275 | 27% helix, 39% strand | U5YJK1 |
| B, E | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| C, F | Nucleoprotein peptide ktngnafigk | protein | 10 | 0% helix, 0% strand | P04666 |
| D | HLA class I histocompatibility antigen, a alpha chain | protein | 274 | 26% helix, 40% strand | U5YJK1 |
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1168 | 0.78 | 0.80 | 127 | empty |
| 2 | 633 | 0.68 | 0.77 | 53 | empty |
| 3 | 185 | 0.52 | 0.78 | 34 | empty |
| 4 | 123 | 0.51 | 0.81 | 23 | empty |
| 5 | 59 | 0.41 | 0.81 | 17 | empty |
Interfaces
7 interfaces between chains.
- D–E · 1429 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 1412 Ų buried · 24 hydrogen bonds · protein-protein
- D–F · 925 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 913 Ų buried · 18 hydrogen bonds · protein-protein
- A–E · 388 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 7S8Q · Crystal Structure of HLA A*1101 in complex with KTNGNAFIGK, an 10-mer epitope from… · the same entry in another collection · chain F against F, 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 0.98
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 P04666
- Elsewhere: RCSB PDB 7S8Q · PDBe 7S8Q · UniProt U5YJK1 · UniProt P61769 · UniProt P04666
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