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Structure of HLA-A2:01 with peptide G9L

Analyse Structure of HLA-A2:01 with peptide G9L in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5ENW
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, a-2 alpha chain; Beta-2-microglobulin; Peptide G9L
UniProt
P01892, P61769
Pockets
4 · best druggability 0.68

Structure

x-ray diffraction · 3 distinct chains · 19% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHLA class I histocompatibility antigen, a-2 alpha chainprotein27427% helix, 40% strandP01892
BBeta-2-microglobulinprotein990% helix, 49% strandP61769
CPeptide G9Lprotein90% helix, 0% strand—

Ligands and binding sites

  • GOL · Glycerol · additive · 3 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16280.680.7755GOL
2950.440.7917empty
3730.420.8019GOL
4740.350.7615empty

Interfaces

2 interfaces between chains.

  • A–B · 1314 Ų buried · 20 hydrogen bonds · protein-protein
  • A–C · 796 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 5ENW · Structure of HLA-A2:01 with peptide G9L · 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 0.98

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