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Crystal structures and KIR3DL1 recognition of three immunodominant viral peptides complexed to HLA-B2705

Analyse Crystal structures and KIR3DL1 recognition of three immunodominant viral… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2BST
Type
protein
Length
385 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HLA class I histocompatibility antigen, B-27 alpha chain precursor; Beta-2-microglobulin…
UniProt
P03989, P61769, Q8B2U6
Pockets
6 · best druggability 0.71

Structure

x-ray diffraction · 3 distinct chains · 19% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHLA class I histocompatibility antigen, B-27 alpha chain precursorprotein27626% helix, 39% strandP03989
BBeta-2-microglobulinprotein1000% helix, 49% strandP61769
CInfluenza nucleoproteinprotein90% helix, 0% strandQ8B2U6

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1870.710.9423empty
26400.700.7859empty
31340.500.8022empty
41170.480.8024empty
5590.360.7915empty

Interfaces

2 interfaces between chains.

  • A–B · 1376 Ų buried · 22 hydrogen bonds · protein-protein
  • A–C · 991 Ų buried · 25 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 2BST · Crystal structures and KIR3DL1 recognition of three immunodominant viral peptides… · the same entry in another collection · chain A against A, TM-score 1.00
  • P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain B against A, TM-score 0.99

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