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Marsupial T cell receptor SPL_145

Analyse Marsupial T cell receptor SPL_145 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7K0X
Type
protein
Length
1,094 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
T cell receptor mu chain; T cell receptor gamma chain
Ligands
NAG, BMA
Pockets
14 · best druggability 0.64

Structure

x-ray diffraction · 4 distinct chains · 3% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CT cell receptor mu chainprotein3281% helix, 52% strand—
DT cell receptor gamma chainprotein2196% helix, 53% strand—
AT cell receptor mu chainprotein3301% helix, 52% strand—
BT cell receptor gamma chainprotein2176% helix, 52% strand—

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains C, D, A, B
  • BMA · beta-D-mannopyranose · sugar · chains D

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

Pockets

14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11710.640.8427empty
23610.640.7939empty
35100.620.7555empty
43400.610.7846empty
54440.570.7344empty

Interfaces

4 interfaces between chains.

  • C–D · 1952 Ų buried · 23 hydrogen bonds · protein-protein
  • A–B · 1861 Ų buried · 17 hydrogen bonds · protein-protein
  • C–B · 557 Ų buried · 8 hydrogen bonds · protein-protein
  • C–A · 58 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide, 6 glycan (disulfide, N-glycosylation).

Compared structures

  • 7K0X · Marsupial T cell receptor Spl_145 · the same entry in another collection · chain C against C, TM-score 1.00

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