Research workbench
Crystal structure of HLA-A*0201 complexed with a peptide with the carboxyl-terminal group substituted by a methyl group
Analyse Crystal structure of HLA-A*0201 complexed with a peptide with the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1B0R
- Type
- protein
- Length
- 376 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (HLA-A*0201); Protein (influenza matrix peptide)
- UniProt
- P01892, P61769
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 20% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (HLA-A*0201) | protein | 269 | 28% helix, 38% strand | P01892 |
| B | Protein (HLA-A*0201) | protein | 100 | 0% helix, 52% strand | P61769 |
| C | Protein (influenza matrix peptide) | protein | 7 | 0% helix, 0% strand | — |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 687 | 0.69 | 0.77 | 64 | empty |
| 2 | 88 | 0.43 | 0.79 | 23 | empty |
| 3 | 90 | 0.37 | 0.76 | 20 | empty |
| 4 | 70 | 0.37 | 0.78 | 17 | empty |
| 5 | 70 | 0.35 | 0.76 | 16 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1405 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 728 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 1 modified (disulfide, nonstandard).
Compared structures
- 1B0R · Crystal structure of HLA-A*0201 complexed with a peptide with the carboxyl-terminal group… · 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 0.98
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 P01892
- Every structure of UniProt P61769
- Elsewhere: RCSB PDB 1B0R · PDBe 1B0R · UniProt P01892 · UniProt P61769
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