Research workbench
Specificity pockets for the side chains of peptide antigens in HLA- AW68
Analyse Specificity pockets for the side chains of peptide antigens in HLA- AW68 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2HLA
- Type
- protein
- Length
- 369 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Class I histocompatibility antigen (HLA-AW68); Beta 2-microglobulin
- UniProt
- P01891, P61769
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 20% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Class I histocompatibility antigen (HLA-AW68) | protein | 270 | 27% helix, 41% strand | P01891 |
| B | Beta 2-microglobulin | protein | 99 | 0% helix, 49% strand | P61769 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 642 | 0.67 | 0.76 | 56 | empty |
| 2 | 364 | 0.65 | 0.79 | 41 | empty |
| 3 | 63 | 0.42 | 0.81 | 16 | empty |
| 4 | 113 | 0.40 | 0.76 | 17 | empty |
| 5 | 52 | 0.29 | 0.75 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 1275 Ų buried · 26 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 2HLA · Specificity pockets for the side chains of peptide antigens in HLA-AW68 · 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 P01891
- Every structure of UniProt P61769
- Elsewhere: RCSB PDB 2HLA · PDBe 2HLA · UniProt P01891 · UniProt P61769
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