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Mooring stone-like ARG114 pulls diverse bulged peptides: first insight into african swine fever virus-derived T cell epitopes presented by swine major histocompatibility complex class I

Analyse Mooring stone-like ARG114 pulls diverse bulged peptides: first insight into… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7EMD
Type
protein
Length
382 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Leucocyte antigen; Beta-2-microglobulin; Tyr-gly-asp-phe-phe-his-asp-met-val
UniProt
O19075, Q07717
Pockets
3 · best druggability 0.69

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ALeucocyte antigenprotein27527% helix, 40% strandO19075
BBeta-2-microglobulinprotein980% helix, 50% strandQ07717
CTyr-gly-asp-phe-phe-his-asp-met-valprotein90% helix, 0% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16210.690.7854empty
21500.460.7721empty
3500.270.7516empty

Interfaces

2 interfaces between chains.

  • A–B · 1422 Ų buried · 28 hydrogen bonds · protein-protein
  • A–C · 907 Ų buried · 25 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 7EMD · Mooring Stone-Like Arg114 Pulls Diverse Bulged Peptides: First Insight into African Swine… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q07717 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (Q07717) · a predicted model of the same protein · chain B against A, TM-score 0.99

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