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MolNFT v1 · #160792 · protein

Structure of human mait a-F7 TCR in complex with human MR1 3'D-5-op-ru

6PUL: “Structure of human mait a-F7 TCR in complex with human MR1 3'D-5-op-ru”. X-ray diffraction, 2 ligands (Q81, NA). MolNFT v1 #160792 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6PUL
Type
protein
Length
1,610 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q95460, P61769
Ligands
Q81, NA

Structure

x-ray diffraction · 8 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein265—Q95460
B—protein200——
C—protein267—Q95460
D—protein195——
E—protein241——
F—protein100—P61769
G—protein244——
H—protein98—P61769

Ligands and binding sites

  • Q81 · 1,3-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene) amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol · ligand · 2 copies · chains A, B, C, D
  • NA · Sodium ion · metal · 5 copies · chains E, F, G, H
  • GOL · Glycerol · additive · 7 copies · chains A, G, B, D, F
  • ACT · Acetate ion · additive · chains D, E

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

Compared structures

  • 6PUL · Structure of human MAIT A-F7 TCR in complex with human MR1 3'D-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 H against A, TM-score 0.98

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