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MolNFT v1 · #36487 · protein

Murine MHC class I H-2DB in complex with human B2-microglobulin and lcmv-derived immunodminant peptide GP33

2F74 · H-2 class I histocompatibility antigen, D-B alpha chain: “Murine MHC class I H-2DB in complex with human B2-microglobulin and lcmv-derived immunodminant peptide GP33”. X-ray diffraction, 6 pockets (best druggability 0.65). MolNFT v1…

PDB
2F74
Type
protein
Length
768 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
H-2 class I histocompatibility antigen, D-B alpha chain; Beta-2-microglobulin; Nonameric…
UniProt
P01899, P61769
Pockets
6 · best druggability 0.65

Structure

x-ray diffraction · 5 distinct chains · 18% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AH-2 class I histocompatibility antigen, D-B alpha chainprotein27525% helix, 41% strandP01899
BBeta-2-microglobulinprotein1000% helix, 49% strandP61769
C, FNonameric peptide, GP33, derived from lymphocytic choriomeningitis virusprotein90% helix, 0% strand—
DH-2 class I histocompatibility antigen, D-B alpha chainprotein27625% helix, 42% strandP01899
EBeta-2-microglobulinprotein990% helix, 49% strandP61769

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16140.650.7555empty
23430.640.8038empty
35910.640.7555empty
4720.350.7617empty
5800.350.7615empty

Interfaces

5 interfaces between chains.

  • A–B · 1428 Ų buried · 24 hydrogen bonds · protein-protein
  • D–E · 1356 Ų buried · 26 hydrogen bonds · protein-protein
  • A–C · 929 Ų buried · 26 hydrogen bonds · protein-protein
  • D–F · 908 Ų buried · 25 hydrogen bonds · protein-protein
  • A–E · 304 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 2F74 · Murine MHC class I H-2Db in complex with human b2-microglobulin and LCMV-derived… · the same entry in another collection · chain F against F, TM-score 1.00
  • P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain E against A, TM-score 0.98

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