MolNFT v1 · #73481 · protein
Human class I MHC HLA-A2 in complex with the peptidomimetic ela-1
3O3A · HLA class I histocompatibility antigen, a-2 alpha chain: “Human class I MHC HLA-A2 in complex with the peptidomimetic ela-1”. X-ray diffraction, 9 pockets (best druggability 0.77). MolNFT v1 #73481 on GenesisL1: 3D structure…
- PDB
- 3O3A
- Type
- protein
- Length
- 766 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…
- UniProt
- P01892, P61769
- Pockets
- 9 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 20% 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, 40% strand | P01892 |
| B, E | Beta-2-microglobulin | protein | 100 | 0% helix, 49% strand | P61769 |
| C, F | Peptidomimetic ela-1 | protein | 8 | 0% helix, 0% strand | — |
Ligands and binding sites
- GOL · Glycerol · additive · 9 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1153 | 0.77 | 0.79 | 102 | GOL |
| 2 | 807 | 0.73 | 0.78 | 70 | GOL |
| 3 | 146 | 0.53 | 0.80 | 25 | empty |
| 4 | 108 | 0.50 | 0.81 | 22 | empty |
| 5 | 128 | 0.46 | 0.78 | 21 | empty |
Interfaces
5 interfaces between chains.
- D–E · 1394 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 1386 Ų buried · 19 hydrogen bonds · protein-protein
- D–F · 805 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 804 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 532 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 6 modified (disulfide, nonstandard).
Compared structures
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
- Elsewhere: RCSB PDB 3O3A · PDBe 3O3A · UniProt P01892 · UniProt P61769
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