MolNFT v1 · #82789 · protein
The complex between H27-14 TCR and HLA-A24 bound to HIV-1 NEF134- 10(6L) peptide
3VXS · HLA class I histocompatibility antigen, a-24 alpha chain: “The complex between H27-14 TCR and HLA-A24 bound to HIV-1 NEF134- 10(6L) peptide”. X-ray diffraction, 12 pockets (best druggability 0.74). MolNFT v1 #82789 on GenesisL1: 3D…
- PDB
- 3VXS
- Type
- protein
- Length
- 830 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, a-24 alpha chain; Beta-2-microglobulin; H27-14…
- UniProt
- P05534, P61769, Q9WPU2
- Pockets
- 12 · best druggability 0.74
Structure
x-ray diffraction · 5 distinct chains · 12% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, a-24 alpha chain | protein | 274 | 26% helix, 39% strand | P05534 |
| B | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| D | H27-14 TCR alpha chain | protein | 204 | 5% helix, 47% strand | — |
| E | H27-14 TCR beta chain | protein | 242 | 6% helix, 50% strand | — |
| C | 10-mer peptide from protein nef | protein | 10 | 0% helix, 0% strand | Q9WPU2 |
Pockets
12 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1057 | 0.74 | 0.77 | 86 | empty |
| 2 | 539 | 0.67 | 0.78 | 50 | empty |
| 3 | 239 | 0.52 | 0.76 | 32 | empty |
| 4 | 162 | 0.50 | 0.78 | 30 | empty |
| 5 | 152 | 0.44 | 0.75 | 23 | empty |
Interfaces
7 interfaces between chains.
- D–E · 2300 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 1408 Ų buried · 27 hydrogen bonds · protein-protein
- A–C · 924 Ų buried · 16 hydrogen bonds · protein-protein
- A–E · 422 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 394 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 3VXS · The complex between H27-14 TCR and HLA-A24 bound to HIV-1 Nef134-10(6L) peptide · 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 P05534
- Every structure of UniProt P61769
- Every structure of UniProt Q9WPU2
- Elsewhere: RCSB PDB 3VXS · PDBe 3VXS · UniProt P05534 · UniProt P61769 · UniProt Q9WPU2
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