MolNFT v1 · #7193 · protein
MHC class I natural mutant H-2KBM1 heavy chain complexed with beta-2 microglobulin and vesicular stomatitis virus nucleoprotein
1FZJ · H-2 class I histocompatibility antigen, K-B alpha chain: “MHC class I natural mutant H-2KBM1 heavy chain complexed with beta-2 microglobulin and vesicular stomatitis…”. X-ray diffraction, 3 ligands (NAG, FUL, PO4), 5 pockets (best…
- PDB
- 1FZJ
- Type
- protein
- Length
- 381 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- H-2 class I histocompatibility antigen, K-B alpha chain; Beta-2-microglobulin…
- UniProt
- P01901, P01887, P11212
- Ligands
- NAG, FUL, PO4
- Pockets
- 5 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 21% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | H-2 class I histocompatibility antigen, K-B alpha chain | protein | 274 | 29% helix, 39% strand | P01901 |
| B | Beta-2-microglobulin | protein | 99 | 0% helix, 53% strand | P01887 |
| P | Nucleocapsid protein | protein | 8 | 0% helix, 0% strand | P11212 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
- FUL · beta-L-fucopyranose · sugar · chains A
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 283 | 0.60 | 0.79 | 49 | PO4, MPD |
| 2 | 87 | 0.54 | 0.85 | 17 | MPD |
| 3 | 247 | 0.53 | 0.76 | 26 | empty |
| 4 | 109 | 0.47 | 0.80 | 22 | empty |
| 5 | 93 | 0.40 | 0.77 | 15 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1350 Ų buried · 28 hydrogen bonds · protein-protein
- A–P · 857 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 2 glycan, 1 modified (disulfide, N-glycosylation, oxidation).
Compared structures
- 1FZJ · MHC class I natural mutant H-2KBM1 heavy chain complexed with beta-2 microglobulin and… · the same entry in another collection · chain A against A, TM-score 1.00
- P01901 · AlphaFold monomer V2.0 prediction for H-2 class I histocompatibility antigen, K-B alpha… · a predicted model of the same protein · chain A against A, TM-score 0.99
- P01887 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P01887) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P01901
- Every structure of UniProt P01887
- Every structure of UniProt P11212
- Elsewhere: RCSB PDB 1FZJ · PDBe 1FZJ · UniProt P01901 · UniProt P01887 · UniProt P11212
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