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Crystal structure of the lcmv derived peptide GP34 in complex with the murine MHC class I H-2 kb

Analyse Crystal structure of the lcmv derived peptide GP34 in complex with the murine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3TID
Type
protein
Length
384 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
H-2 class I histocompatibility antigen, K-B alpha chain; Beta-2-microglobulin; Lcmv…
UniProt
P01901, P61769
Pockets
3 · best druggability 0.65

Structure

x-ray diffraction · 3 distinct chains · 20% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AH-2 class I histocompatibility antigen, K-B alpha chainprotein27728% helix, 39% strandP01901
BBeta-2-microglobulinprotein990% helix, 49% strandP61769
CLcmv derived octamer peptideprotein80% helix, 0% strand—

Ligands and binding sites

  • ACT · Acetate ion · additive · 3 copies · chains B, A, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16530.650.7557ACT
2730.360.7716empty
3730.330.7518empty

Interfaces

2 interfaces between chains.

  • A–B · 1293 Ų buried · 26 hydrogen bonds · protein-protein
  • A–C · 813 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 3TID · Crystal structure of the LCMV derived peptide GP34 in complex with the murine mhc class I… · 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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