MolNFT v1 · #51288 · protein
T cell cross-reactivity and conformational changes during TCR engagement
2V2W · HLA class I histocompatibility antigen, a-2 alpha chain: “T cell cross-reactivity and conformational changes during TCR engagement”. X-ray diffraction, 8 pockets (best druggability 0.68). MolNFT v1 #51288 on GenesisL1: 3D structure…
- PDB
- 2V2W
- Type
- protein
- Length
- 768 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; HIV P17
- UniProt
- P01892, P61769
- Pockets
- 8 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 20% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | HLA class I histocompatibility antigen, a-2 alpha chain | protein | 275 | 28% helix, 39% strand | P01892 |
| B, E | Beta-2 microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| C, F | HIV P17 | protein | 9 | 0% helix, 0% strand | — |
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 593 | 0.68 | 0.77 | 55 | empty |
| 2 | 508 | 0.66 | 0.78 | 52 | empty |
| 3 | 112 | 0.44 | 0.78 | 23 | empty |
| 4 | 118 | 0.44 | 0.77 | 19 | empty |
| 5 | 83 | 0.39 | 0.78 | 17 | empty |
Interfaces
4 interfaces between chains.
- D–E · 1390 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 1359 Ų buried · 22 hydrogen bonds · protein-protein
- D–F · 856 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 847 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 2V2W · T cell cross-reactivity and conformational changes during TCR engagement · 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 0.98
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 2V2W · PDBe 2V2W · UniProt P01892 · UniProt P61769
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