MolNFT v1 · #5340 · protein
Crystal structure determination of HLA A2 complexed to peptide GP2 with the substitution (I2L/V5L/L9V)
1EEY · HLA-A2.1 MHC class I (heavy chain): “Crystal structure determination of HLA A2 complexed to peptide GP2 with the substitution (I2L/V5L/L9V)”. X-ray diffraction, 10 pockets (best druggability 0.70). MolNFT v1 #5340 on GenesisL1: 3D…
- PDB
- 1EEY
- Type
- protein
- Length
- 768 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HLA-A2.1 MHC class I (heavy chain); Beta-2-microglobulin (light chain); GP2 peptide
- UniProt
- P01892, P01884
- Pockets
- 10 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 20% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | HLA-A2.1 MHC class I (heavy chain) | protein | 275 | 28% helix, 39% strand | P01892 |
| B, E | Beta-2-microglobulin (light chain) | protein | 100 | 0% helix, 49% strand | P01884 |
| C, F | GP2 peptide | protein | 9 | 0% helix, 0% strand | — |
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 | 663 | 0.70 | 0.78 | 61 | empty |
| 2 | 626 | 0.69 | 0.78 | 53 | empty |
| 3 | 107 | 0.44 | 0.78 | 24 | empty |
| 4 | 73 | 0.43 | 0.81 | 18 | empty |
| 5 | 62 | 0.43 | 0.82 | 17 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1430 Ų buried · 24 hydrogen bonds · protein-protein
- D–E · 1418 Ų buried · 21 hydrogen bonds · protein-protein
- D–F · 780 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 779 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1EEY · Crystal Structure Determination Of HLA A2 Complexed to Peptide GP2 with the substitution… · the same entry in another collection · chain A against A, TM-score 1.00
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 P01884
- Elsewhere: RCSB PDB 1EEY · PDBe 1EEY · UniProt P01892 · UniProt P01884
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