Research workbench
Crystal structure of human 0606T1-2 TCR bound to HLA-A*03:01 in complex with a mutant PIK3CA peptide
Analyse Crystal structure of human 0606T1-2 TCR bound to HLA-A*03:01 in complex with a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7RRG
- Type
- protein
- Length
- 803 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, a alpha chain; Beta-2-microglobulin; T cell…
- UniProt
- P04439, P61769, P42336
- Pockets
- 9 · best druggability 0.73
Structure
x-ray diffraction · 5 distinct chains · 12% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, a alpha chain | protein | 272 | 26% helix, 39% strand | P04439 |
| B | Beta-2-microglobulin | protein | 100 | 0% helix, 51% strand | P61769 |
| D | T cell receptor, alpha chain | protein | 185 | 3% helix, 43% strand | — |
| E | T cell receptor, beta chain | protein | 237 | 9% helix, 46% strand | — |
| C | Mutant PIK3CA peptide | protein | 9 | 0% helix, 0% strand | P42336 |
Ligands and binding sites
- GOL · Glycerol · additive · 13 copies · chains A, B, D, E, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1024 | 0.73 | 0.76 | 81 | empty |
| 2 | 678 | 0.69 | 0.77 | 57 | GOL |
| 3 | 50 | 0.66 | 0.96 | 19 | GOL |
| 4 | 254 | 0.51 | 0.75 | 38 | empty |
| 5 | 182 | 0.50 | 0.77 | 31 | empty |
Interfaces
4 interfaces between chains.
- D–E · 2012 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 1286 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 892 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 421 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 7RRG · Crystal structure of human 0606T1-2 TCR bound to HLA-A*03:01 in complex with a mutant… · the same entry in another collection · chain B against B, TM-score 1.00
- P04439 · AlphaFold monomer V2.0 prediction for HLA class I histocompatibility antigen, a alpha… · a predicted model of the same protein · chain A against A, TM-score 0.99
- 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 P04439
- Every structure of UniProt P61769
- Every structure of UniProt P42336
- Elsewhere: RCSB PDB 7RRG · PDBe 7RRG · UniProt P04439 · UniProt P61769 · UniProt P42336
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