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Crystal structures of murine MHC class I H-2 db and kb molecules in complex with ctl epitopes from influenza a virus: implications for TCR repertoire selection and immunodominance

Analyse Crystal structures of murine MHC class I H-2 db and kb molecules in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1WBY
Type
protein
Length
384 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-2MICROGLOBULIN; Influenza a…
UniProt
P01899, P01887, Q8QLZ6
Pockets
4 · best druggability 0.66

Structure

x-ray diffraction · 3 distinct chains · 19% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AH-2 class I histocompatibility antigen, D-B alpha chainprotein27526% helix, 41% strandP01899
BBeta-2MICROGLOBULINprotein990% helix, 49% strandP01887
CInfluenza a peptideprotein100% helix, 0% strandQ8QLZ6

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16170.660.7651empty
21590.530.7932empty
3520.480.8618empty
4590.320.7618empty

Interfaces

2 interfaces between chains.

  • A–B · 1288 Ų buried · 21 hydrogen bonds · protein-protein
  • A–C · 885 Ų buried · 28 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 1WBY · CRYSTAL STRUCTURES OF MURINE MHC CLASS I H-2 Db AND Kb MOLECULES IN COMPLEX WITH CTL… · the same entry in another collection · chain A against A, TM-score 1.00
  • P01887 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P01887) · a predicted model of the same protein · chain B against A, TM-score 0.99

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