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Crystal structures of the murine class I major histocompatibility complex H-2KB in complex with lcmv-derived GP33 index peptide and three of its escape variants

Analyse Crystal structures of the murine class I major histocompatibility complex H-2KB… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1S7T
Type
protein
Length
766 residues
Chains
6
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…
UniProt
P01901, P01887, P07399
Pockets
11 · best druggability 0.60

Structure

x-ray diffraction · 3 distinct chains · 20% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DH-2 class I histocompatibility antigen, K-B alpha chainprotein27628% helix, 40% strandP01901
B, EBeta-2-microglobulinprotein990% helix, 55% strandP01887
C, FGlycoprotein 9-residue peptideprotein80% helix, 0% strandP07399

Pockets

11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12240.600.8030empty
23200.600.7854empty
33540.580.7638empty
43120.580.7734empty
52290.550.7727empty

Interfaces

5 interfaces between chains.

  • D–E · 1369 Ų buried · 25 hydrogen bonds · protein-protein
  • A–B · 1365 Ų buried · 25 hydrogen bonds · protein-protein
  • A–C · 836 Ų buried · 16 hydrogen bonds · protein-protein
  • D–F · 828 Ų buried · 12 hydrogen bonds · protein-protein
  • A–D · 402 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 1S7T · Crystal structures of the murine class I major histocompatibility complex H-2Kb in… · the same entry in another collection · chain E against E, TM-score 1.00
  • P01887 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P01887) · a predicted model of the same protein · chain E against A, TM-score 0.97

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