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MolNFT v1 · #169910 · protein

Structure of human D462-E4 TCR in complex with human MR1-5-op-ru

6XQP: “Structure of human D462-E4 TCR in complex with human MR1-5-op-ru”. X-ray diffraction, 4 ligands (2LJ, NA, CL). MolNFT v1 #169910 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6XQP
Type
protein
Length
1,576 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q95460, P61769
Ligands
2LJ, NA, CL, BR

Structure

x-ray diffraction · 6 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein243—Q95460
B, D—protein100—P61769
C—protein254—Q95460
E—protein193——
F, H—protein246——
G—protein194——

Ligands and binding sites

  • 2LJ · 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol · ligand · 2 copies · chains A, C, H
  • NA · Sodium ion · metal · chains D, F
  • CL · Chloride ion · ion · 4 copies · chains F, A, H, C
  • BR · Bromide ion · ion · 2 copies · chains E, G
  • GOL · Glycerol · additive · 7 copies · chains A, F, C, E, H, B

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

Compared structures

  • 6XQP · Structure of human D462-E4 TCR in complex with human MR1-5-OP-RU · the same entry in another collection · chain H against H, TM-score 1.00
  • P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain D against A, TM-score 0.97

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