MolNFT v1 · #74472 · protein
Crystal structure of HLA A*02:06 bound to HBV core 18-27
3OXR · MHC class I antigen: “Crystal structure of HLA A*02:06 bound to HBV core 18-27”. X-ray diffraction, 4 pockets (best druggability 0.68). MolNFT v1 #74472 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3OXR
- Type
- protein
- Length
- 385 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MHC class I antigen; Beta-2-microglobulin; 10MER peptide from pre-core-protein
- UniProt
- Q5MAG5, P61769, Q9YJW5
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MHC class I antigen | protein | 275 | 27% helix, 40% strand | Q5MAG5 |
| B | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| C | 10MER peptide from pre-core-protein | protein | 10 | 0% helix, 0% strand | Q9YJW5 |
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 642 | 0.68 | 0.77 | 58 | empty |
| 2 | 116 | 0.42 | 0.77 | 19 | empty |
| 3 | 50 | 0.31 | 0.77 | 15 | empty |
| 4 | 50 | 0.27 | 0.74 | 15 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1434 Ų buried · 27 hydrogen bonds · protein-protein
- A–C · 915 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
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 Q5MAG5
- Every structure of UniProt P61769
- Every structure of UniProt Q9YJW5
- Elsewhere: RCSB PDB 3OXR · PDBe 3OXR · UniProt Q5MAG5 · UniProt P61769 · UniProt Q9YJW5
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