MolNFT v1 · #69265 · protein
CA2+ release from the endoplasmic reticulum of ny-eso-1 specific T cells is modulated by the affinity of T cell receptor and by the use of the CD8 co-receptor
3KLA · HLA class I histocompatibility antigen, a-2 alpha chain: “CA2+ release from the endoplasmic reticulum of ny-eso-1 specific T cells is modulated by the affinity of T…”. X-ray diffraction, 9 pockets (best druggability 0.76). MolNFT v1…
- PDB
- 3KLA
- 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; Nyeso-1…
- UniProt
- P01892, P61769, P78358
- Pockets
- 9 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | HLA class I histocompatibility antigen, a-2 alpha chain | protein | 275 | 27% helix, 39% strand | P01892 |
| B, E | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| C, F | Nyeso-1 peptide analogue | protein | 9 | 0% helix, 0% strand | P78358 |
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 | 1105 | 0.76 | 0.78 | 90 | empty |
| 2 | 577 | 0.67 | 0.77 | 54 | empty |
| 3 | 63 | 0.47 | 0.84 | 17 | empty |
| 4 | 120 | 0.46 | 0.78 | 25 | empty |
| 5 | 66 | 0.46 | 0.83 | 17 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1426 Ų buried · 20 hydrogen bonds · protein-protein
- D–E · 1424 Ų buried · 21 hydrogen bonds · protein-protein
- D–F · 883 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 863 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 300 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 3KLA · Ca2+ release from the endoplasmic reticulum of NY-ESO-1 specific T cells is modulated by… · 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 B against A, TM-score 0.98
- P78358 · AlphaFold monomer V2.0 prediction for CANCER/TESTIS antigen 1 (P78358) · a predicted model of the same protein · chain F against A, TM-score 0.34
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
- Every structure of UniProt P78358
- Elsewhere: RCSB PDB 3KLA · PDBe 3KLA · UniProt P01892 · UniProt P61769 · UniProt P78358
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