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Recognition of the MHC class ib molecule H2-Q10 by the natural killer cell receptor LY49C

Analyse Recognition of the MHC class ib molecule H2-Q10 by the natural killer cell… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5J6H
Type
protein
Length
382 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
H-2 class I histocompatibility antigen, Q10 alpha chain; Beta-2-microglobulin…
UniProt
P01898, P01887
Ligands
NCA, NA
Pockets
4 · best druggability 0.67

Structure

x-ray diffraction · 3 distinct chains · 18% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AH-2 class I histocompatibility antigen, Q10 alpha chainprotein27525% helix, 39% strandP01898
BBeta-2-microglobulinprotein990% helix, 49% strandP01887
FVal-gly-ile-thr-asn-val-asp-leuprotein80% helix, 0% strand—

Ligands and binding sites

  • NCA · Nicotinamide · ligand · chains A
  • NA · Sodium ion · metal · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15800.670.7758empty
21700.520.7829empty
3550.400.8218empty
4550.330.7714empty

Interfaces

2 interfaces between chains.

  • A–B · 1234 Ų buried · 21 hydrogen bonds · protein-protein
  • A–F · 783 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 5J6H · Recognition of the MHC class Ib molecule H2-Q10 by the natural killer cell receptor Ly49C · the same entry in another collection · chain A against A, TM-score 1.00
  • P01898 · AlphaFold monomer V2.0 prediction for H-2 class I histocompatibility antigen, Q10 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 0.98

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