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MolNFT v1 · #159337 · protein

Structure of mouse CD1D- glc-dag (sn-1 C18:0, sn-2 C18:1C9)-inkt TCR ternary complex

6OMG: “Structure of mouse CD1D- glc-dag (sn-1 C18:0, sn-2 C18:1C9)-inkt TCR ternary complex”. X-ray diffraction, 4 ligands (MVV, NAG, FUC). MolNFT v1 #159337 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6OMG
Type
protein
Length
811 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
A0A0R4J090, P01887
Ligands
MVV, NAG, FUC, NA

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
C—protein201——
D—protein239——
A—protein274—A0A0R4J090
B—protein97—P01887

Ligands and binding sites

  • MVV · (2R)-1-(alpha-D-glucopyranosyloxy)-3-(octadecanoyloxy) propan-2-yl (9Z)-octadec-9-enoate · ligand · chains C, A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
  • FUC · alpha-L-fucopyranose · sugar · chains A
  • NA · Sodium ion · metal · 5 copies · chains C, D, A
  • GOL · Glycerol · additive · 4 copies · chains C, D, A, B

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

Compared structures

  • 6OMG · Structure of mouse CD1D- Glc-DAG (sn-1 C18:0, sn-2 C18:1c9)-iNKT TCR Ternary complex · the same entry in another collection · chain C against C, 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 0.98

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