MolNFT v1 · #143221 · protein
Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the human major histocompatibility complex class I molecule HLA-A*0101
6AT9 · HLA class I histocompatibility antigen, a-1 alpha chain: “Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen bound to the human…”. X-ray diffraction, 4 pockets (best druggability 0.65). MolNFT v1…
- PDB
- 6AT9
- Type
- protein
- Length
- 384 residues
- Chains
- 3
- 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; ALK
- UniProt
- P30443, P61769
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, a-1 alpha chain | protein | 274 | 26% helix, 38% strand | P30443 |
| B | Beta-2-microglobulin | protein | 100 | 0% helix, 51% strand | P61769 |
| C | ALK | protein | 10 | 0% helix, 0% strand | — |
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 419 | 0.65 | 0.78 | 45 | empty |
| 2 | 171 | 0.49 | 0.77 | 32 | empty |
| 3 | 71 | 0.39 | 0.79 | 15 | empty |
| 4 | 50 | 0.24 | 0.73 | 14 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1414 Ų buried · 25 hydrogen bonds · protein-protein
- A–C · 1015 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 6AT9 · Crystal structure of an anaplastic lymphoma kinase-derived neuroblastoma tumor antigen… · 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 P30443
- Every structure of UniProt P61769
- Elsewhere: RCSB PDB 6AT9 · PDBe 6AT9 · UniProt P30443 · UniProt P61769
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