MolNFT v1 · #97222 · protein
Newly identified epitope V60 from HBV core protein complexed with HLA- A*0201
4K7F · HLA class I histocompatibility antigen, a-2 alpha chain: “Newly identified epitope V60 from HBV core protein complexed with HLA- A*0201”. X-ray diffraction, 10 pockets (best druggability 0.77). MolNFT v1 #97222 on GenesisL1: 3D…
- PDB
- 4K7F
- Type
- protein
- Length
- 767 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, a-2 alpha chain; Beta-2-microglobulin; Core…
- UniProt
- P01892, P61769, Q9QAC5
- Pockets
- 10 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 23% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, a-2 alpha chain | protein | 274 | 28% helix, 40% strand | P01892 |
| B, E | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| C, F | Core protein | protein | 9 | 0% helix, 0% strand | Q9QAC5 |
| D | HLA class I histocompatibility antigen, a-2 alpha chain | protein | 275 | 27% helix, 40% strand | P01892 |
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1137 | 0.77 | 0.79 | 93 | empty |
| 2 | 461 | 0.70 | 0.81 | 48 | empty |
| 3 | 226 | 0.58 | 0.80 | 40 | empty |
| 4 | 98 | 0.48 | 0.81 | 23 | empty |
| 5 | 101 | 0.48 | 0.80 | 19 | empty |
Interfaces
5 interfaces between chains.
- D–E · 1451 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 1421 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 879 Ų buried · 11 hydrogen bonds · protein-protein
- D–F · 865 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 669 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 4K7F · Newly identified epitope V60 from HBV core protein complexed with HLA-A*0201 · 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 E 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 P01892
- Every structure of UniProt P61769
- Every structure of UniProt Q9QAC5
- Elsewhere: RCSB PDB 4K7F · PDBe 4K7F · UniProt P01892 · UniProt P61769 · UniProt Q9QAC5
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