MolNFT v1 · #180489 · protein
Crystal structure of HLA-A*03:01 in complex with a wild-type PIK3CA peptide
7L1B · HLA class I histocompatibility antigen, a alpha chain: “Crystal structure of HLA-A*03:01 in complex with a wild-type PIK3CA peptide”. X-ray diffraction, 4 pockets (best druggability 0.68). MolNFT v1 #180489 on GenesisL1: 3D…
- PDB
- 7L1B
- Type
- protein
- Length
- 382 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA class I histocompatibility antigen, a alpha chain; Beta-2-microglobulin; Wild-type…
- UniProt
- P04439, P61769, P42336
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 20% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HLA class I histocompatibility antigen, a alpha chain | protein | 274 | 28% helix, 40% strand | P04439 |
| B | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | P61769 |
| C | Wild-type PIK3CA peptide | protein | 9 | 0% helix, 0% strand | P42336 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 683 | 0.68 | 0.76 | 67 | empty |
| 2 | 109 | 0.47 | 0.80 | 20 | empty |
| 3 | 90 | 0.43 | 0.79 | 22 | GOL |
| 4 | 63 | 0.33 | 0.77 | 15 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1317 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 869 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 7L1B · Crystal structure of HLA-A*03:01 in complex with a wild-type PIK3CA peptide · 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 0.99
- 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 0.98
- P42336 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 4,5-bisphosphate 3-kinase… · a predicted model of the same protein · chain C against A, TM-score 0.31
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 7L1B · PDBe 7L1B · UniProt P04439 · UniProt P61769 · UniProt P42336
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