Research workbench
Mage-A3 reactive TCR in complex with titin epitope in HLA-A1
Analyse Mage-A3 reactive TCR in complex with titin epitope in HLA-A1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5BS0
- Type
- protein
- Length
- 822 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, a-1 alpha chain; Beta-2-microglobulin; Titin…
- EC
- 2.7.11.1
- UniProt
- P30443, P61769, Q8WZ42, A0A0B4J279, P01848, A0A578, K7N5M4
- Ligands
- SO4
- Pockets
- 10 · best druggability 0.72
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-1 alpha chain | protein | 275 | 28% helix, 39% strand | P30443 |
| B | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| C | Titin (EC 2.7.11.1) | protein | 9 | 0% helix, 0% strand | Q8WZ42 |
| D | Protein TRAV21,T-cell receptor alpha chain C region | protein | 197 | 4% helix, 47% strand | A0A0B4J279, P01848 |
| E | Protein TRBV5-1,HUMAN nkt TCR beta chain | protein | 241 | 7% helix, 50% strand | A0A578, K7N5M4 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1108 | 0.72 | 0.76 | 105 | SO4 |
| 2 | 597 | 0.69 | 0.78 | 56 | SO4 |
| 3 | 84 | 0.50 | 0.84 | 23 | empty |
| 4 | 91 | 0.45 | 0.80 | 22 | empty |
| 5 | 97 | 0.43 | 0.79 | 17 | empty |
Interfaces
7 interfaces between chains.
- D–E · 2060 Ų buried · 27 hydrogen bonds · protein-protein
- A–B · 1355 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 869 Ų buried · 20 hydrogen bonds · protein-protein
- A–D · 628 Ų buried · 10 hydrogen bonds · protein-protein
- A–E · 292 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 5BS0 · MAGE-A3 Reactive TCR in complex with Titin Epitope in HLA-A1 · the same entry in another collection · chain E against E, 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
- P01848 · AlphaFold monomer V2.0 prediction for T cell receptor alpha chain constant (P01848) · a predicted model of the same protein · chain D against A, TM-score 0.40
- A0A578 · AlphaFold monomer V2.0 prediction for T cell receptor beta variable 5-1 (A0A578) · a predicted model of the same protein · chain E against A, TM-score 0.38
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 P30443
- Every structure of UniProt P61769
- Every structure of UniProt Q8WZ42
- Every structure of UniProt A0A0B4J279
- Every structure of UniProt P01848
- Every structure of UniProt A0A578
- Every structure of UniProt K7N5M4
- Elsewhere: RCSB PDB 5BS0 · PDBe 5BS0 · UniProt P30443 · UniProt P61769 · UniProt Q8WZ42 · UniProt A0A0B4J279 · UniProt P01848 · UniProt A0A578 · UniProt K7N5M4
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.