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11MER structure of an MHC class I molecule from B21 chickens illustrate promiscuous peptide binding

Analyse 11MER structure of an MHC class I molecule from B21 chickens illustrate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3BEV
Type
protein
Length
384 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Major histocompatibility complex class I glycoprotein haplotype B21…
UniProt
Q95601, P21611, P01994
Pockets
2 · best druggability 0.68

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AMajor histocompatibility complex class I glycoprotein haplotype B21protein27426% helix, 39% strandQ95601
BBeta-2-microglobulinprotein990% helix, 49% strandP21611
CHemoglobin subunit alpha-aprotein1136% helix, 0% strandP01994

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16070.680.7754empty
2530.500.8722empty

Interfaces

2 interfaces between chains.

  • A–B · 1614 Ų buried · 20 hydrogen bonds · protein-protein
  • A–C · 913 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 3BEV · 11mer Structure of an MHC class I molecule from B21 chickens illustrate promiscuous… · the same entry in another collection · chain A against A, TM-score 1.00
  • P21611 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P21611) · a predicted model of the same protein · chain B against A, TM-score 0.97
  • P01994 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha-a (P01994) · a predicted model of the same protein · chain C against A, TM-score 0.35

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