MolNFT v1 · #59337 · protein
MHC-I in complex with peptide
3BUY · H-2 class I histocompatibility antigen, D-B alpha chain: “MHC-I in complex with peptide”. X-ray diffraction, 3 pockets (best druggability 0.63). MolNFT v1 #59337 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3BUY
- Type
- protein
- Length
- 383 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- H-2 class I histocompatibility antigen, D-B alpha chain; Beta-2-microglobulin; Epitope of…
- UniProt
- P01899, P01887, P0C0U1
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 3 distinct chains · 18% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | H-2 class I histocompatibility antigen, D-B alpha chain | protein | 275 | 25% helix, 40% strand | P01899 |
| B | Beta-2-microglobulin | protein | 99 | 0% helix, 49% strand | P01887 |
| C | Epitope of PB1-F2 | protein | 9 | 0% helix, 0% strand | P0C0U1 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 475 | 0.63 | 0.77 | 46 | empty |
| 2 | 158 | 0.48 | 0.77 | 37 | empty |
| 3 | 95 | 0.42 | 0.78 | 16 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1350 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 957 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
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 P01899
- Every structure of UniProt P01887
- Every structure of UniProt P0C0U1
- Elsewhere: RCSB PDB 3BUY · PDBe 3BUY · UniProt P01899 · UniProt P01887 · UniProt P0C0U1
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