MolNFT v1 · #141147 · protein
A T cell receptor in complex with HLA-A0201 restricted hepatitis C virus NS3 peptide (klvalginav)
5YXN · T cell receptor alpha chain: “A T cell receptor in complex with HLA-A0201 restricted hepatitis C virus NS3 peptide (klvalginav)”. X-ray diffraction, 9 pockets (best druggability 0.70). MolNFT v1 #141147 on GenesisL1: 3D structure…
- PDB
- 5YXN
- Type
- protein
- Length
- 818 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- T cell receptor alpha chain; T cell receptor beta chain; HLA class I histocompatibility…
- UniProt
- P01892
- Pockets
- 9 · best druggability 0.70
Structure
x-ray diffraction · 5 distinct chains · 11% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | T cell receptor alpha chain | protein | 192 | 3% helix, 45% strand | — |
| B | T cell receptor beta chain | protein | 241 | 6% helix, 49% strand | — |
| C | HLA class I histocompatibility antigen, a-2 alpha chain | protein | 275 | 27% helix, 40% strand | P01892 |
| D | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | — |
| I | NS3 peptide | protein | 10 | 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 | 811 | 0.70 | 0.76 | 75 | empty |
| 2 | 557 | 0.67 | 0.77 | 53 | empty |
| 3 | 210 | 0.49 | 0.75 | 39 | empty |
| 4 | 54 | 0.45 | 0.84 | 16 | empty |
| 5 | 72 | 0.45 | 0.82 | 17 | empty |
Interfaces
7 interfaces between chains.
- A–B · 2369 Ų buried · 29 hydrogen bonds · protein-protein
- C–D · 1362 Ų buried · 16 hydrogen bonds · protein-protein
- C–I · 849 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 515 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 479 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 5YXN · A T cell receptor in complex with HLA-A0201 restricted Hepatitis C virus NS3 peptide… · the same entry in another collection · chain A against A, TM-score 1.00
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
- Elsewhere: RCSB PDB 5YXN · PDBe 5YXN · UniProt P01892
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