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MolNFT v1 · #37363 · protein

The role of T cell receptor alpha genes in directing human MHC restriction

2FYY · HLA class I histocompatibility antigen, B-35 alpha chain: “The role of T cell receptor alpha genes in directing human MHC restriction”. X-ray diffraction, 5 pockets (best druggability 0.68). MolNFT v1 #37363 on GenesisL1: 3D…

PDB
2FYY
Type
protein
Length
382 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HLA class I histocompatibility antigen, B-35 alpha chain; Beta-2-microglobulin; 11-mer…
UniProt
P30474, P61769, P03211
Pockets
5 · best druggability 0.68

Structure

x-ray diffraction · 3 distinct chains · 19% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHLA class I histocompatibility antigen, B-35 alpha chainprotein27626% helix, 39% strandP30474
BBeta-2-microglobulinprotein990% helix, 49% strandP61769
C11-mer peptide from epstein-barr nuclear antigen 1protein70% helix, 0% strandP03211

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16290.680.7754empty
21380.580.8322empty
31970.540.7835empty
41070.420.7723empty
5610.370.7916empty

Interfaces

2 interfaces between chains.

  • A–B · 1326 Ų buried · 26 hydrogen bonds · protein-protein
  • A–C · 754 Ų buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 2FYY · The role of T cell receptor alpha genes in directing human MHC restriction · the same entry in another collection · chain A against A, TM-score 1.00
  • P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain B against A, TM-score 0.99

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