MolNFT v2 · #156118 · protein
Crystal structure of pSLA-1*1301 complex with mutant epitope ESDTVGWSW
6KWO · MHC class I antigen: “Crystal structure of pSLA-1*1301 complex with mutant epitope ESDTVGWSW”. X-ray diffraction at 1.803, 3 pockets (best druggability 0.70). MolNFT v2 #156118 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6KWO
- Type
- protein
- Length
- 378 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.803
- Source
- Sus scrofa; SYNTHETIC CONSTRUCT
- Molecule
- MHC class I antigen; Beta-2-microglobulin; peptide
- UniProt
- B1PJU7, Q07717
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · resolution 1.803 · 3 distinct chains · 20% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MHC class I antigen | protein | 272 | 27% helix, 40% strand | B1PJU7 |
| B | Beta-2-microglobulin | protein | 97 | 0% helix, 51% strand | Q07717 |
| C | peptide | protein | 9 | 0% helix, 0% strand | — |
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 | 607 | 0.70 | 0.78 | 54 | empty |
| 2 | 52 | 0.49 | 0.87 | 16 | empty |
| 3 | 144 | 0.45 | 0.76 | 26 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1393 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 927 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 6KWO · Crystal structure of psla-1*1301 complex with mutant epitope esdtvgwsw · the same entry in another collection · chain A against A, TM-score 1.00
- Q07717 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (Q07717) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 B1PJU7
- Every structure of UniProt Q07717
- Elsewhere: RCSB PDB 6KWO · PDBe 6KWO · UniProt B1PJU7 · UniProt Q07717
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