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F11 T-cell receptor recognising pkyvkqntlklat peptide presented by HLA-DR*0101

Analyse F11 T-cell receptor recognising pkyvkqntlklat peptide presented by HLA-DR*0101 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6FR9
Type
protein
Length
442 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
T-cell receptor F11 alpha chain; T-cell receptor F11 beta chain
Ligands
SO4
Pockets
5 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AT-cell receptor F11 alpha chainprotein2028% helix, 45% strand—
BT-cell receptor F11 beta chainprotein2407% helix, 53% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains B
  • EDO · 1,2-ethanediol · additive · 8 copies · chains A, B
  • GOL · Glycerol · additive · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110820.730.7676EDO, GOL, SO4
21100.420.7724EDO
3640.320.7618empty
4530.290.7515empty
5550.270.7411empty

Interfaces

1 interface between chains.

  • A–B · 2178 Ų buried · 24 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 6FR9 · F11 T-Cell Receptor Recognising PKYVKQNTLKLAT Peptide Presented by HLA-DR*0101 · the same entry in another collection · chain A against A, TM-score 1.00

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