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Diversity in the type II natural killer T cell receptor repertoire and antigen specificity leads to differing CD1D docking strategies

Analyse Diversity in the type II natural killer T cell receptor repertoire and antigen… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6MRA
Type
protein
Length
420 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
TCR alpha chain; TCR beta-chain
Pockets
3 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATCR alpha chainprotein1793% helix, 54% strand—
BTCR beta-chainprotein2417% helix, 48% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110570.720.7675empty
2700.360.7718empty
3540.290.7514empty

Interfaces

1 interface between chains.

  • A–B · 2003 Ų buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 6MRA · Diversity in the type II Natural Killer T cell receptor repertoire and antigen… · the same entry in another collection · chain A against A, TM-score 1.00

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