MolNFT v1 · #1398 · protein
Class I histocompatibility antigen (HLA-A2.1)/BETA 2- MICROGLOBULIN/PEPTIDE P1049 complex
1B0G: “Class I histocompatibility antigen (HLA-A2.1)/BETA 2- MICROGLOBULIN/PEPTIDE P1049 complex”. X-ray diffraction, 9 pockets (best druggability 0.69). MolNFT v1 #1398 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1B0G
- Type
- protein
- Length
- 768 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Class I histocompatibility antigen; Beta 2-microglobulin; Peptide P1049 (alwgffpvl)
- UniProt
- P01892, P61769
- Pockets
- 9 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 20% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Class I histocompatibility antigen | protein | 275 | 28% helix, 40% strand | P01892 |
| B, E | Beta 2-microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| C, F | Peptide P1049 (alwgffpvl) | protein | 9 | 0% helix, 0% strand | — |
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 648 | 0.69 | 0.77 | 55 | empty |
| 2 | 622 | 0.68 | 0.77 | 54 | empty |
| 3 | 158 | 0.47 | 0.77 | 26 | empty |
| 4 | 135 | 0.46 | 0.77 | 25 | empty |
| 5 | 63 | 0.43 | 0.82 | 17 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1441 Ų buried · 22 hydrogen bonds · protein-protein
- D–E · 1408 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 853 Ų buried · 12 hydrogen bonds · protein-protein
- D–F · 851 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1B0G · Class I histocompatibility antigen (HLA-A2.1)/BETA 2-MICROGLOBULIN/PEPTIDE P1049 complex · 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 P01892
- Every structure of UniProt P61769
- Elsewhere: RCSB PDB 1B0G · PDBe 1B0G · UniProt P01892 · UniProt P61769
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