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Crystal structure of equine MHC I(EQCA-N*00601) in complexed with equine infectious anaemia virus (eiav) derived peptide gag-GW12

Analyse Crystal structure of equine MHC I(EQCA-N*00601) in complexed with equine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4ZUW
Type
protein
Length
385 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Classical MHC class I antigen; Beta-2-microglobulin…
UniProt
Q860N6, P01887
Pockets
6 · best druggability 0.69

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AClassical MHC class I antigenprotein27427% helix, 40% strandQ860N6
BBeta-2-microglobulinprotein990% helix, 48% strandP01887
CGly-ser-gln-lys-leu-thr-thr-gly-asn-cys-asn-TRPprotein120% helix, 0% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15120.690.7949empty
2550.440.8318empty
3790.340.7516empty
4610.300.7516empty
5520.290.7514empty

Interfaces

2 interfaces between chains.

  • A–B · 1336 Ų buried · 20 hydrogen bonds · protein-protein
  • A–C · 889 Ų buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 4ZUW · Crystal structure of Equine MHC I(Eqca-N*00601) in complexed with equine infectious… · the same entry in another collection · chain A against A, TM-score 1.00
  • P01887 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P01887) · a predicted model of the same protein · chain B against A, TM-score 0.99

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