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MolNFT v1 · #62130 · protein

MHC class I H-2DD heavy chain complexed with beta-2 microglobulin and a variant peptide, PI10, from the human immunodeficiency virus (bal) envelope glycoprotein 120

3E6H · H-2 class I histocompatibility antigen, D-D alpha chain: “MHC class I H-2DD heavy chain complexed with beta-2 microglobulin and a variant peptide, PI10, from the human…”. X-ray diffraction, 5 pockets (best druggability 0.66). MolNFT…

PDB
3E6H
Type
protein
Length
383 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
H-2 class I histocompatibility antigen, D-D alpha chain; Putative uncharacterized…
UniProt
P01900, Q91XJ8, A4L8F7
Pockets
5 · best druggability 0.66

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AH-2 class I histocompatibility antigen, D-D alpha chainprotein27428% helix, 39% strandP01900
BPutative uncharacterized proteinprotein990% helix, 52% strandQ91XJ8
PEnvelope glycoprotein 10-residue peptideprotein100% helix, 0% strandA4L8F7

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14540.660.7953empty
21700.530.7925empty
3540.330.7814empty
4870.330.7418empty
5540.290.7514empty

Interfaces

2 interfaces between chains.

  • A–B · 1422 Ų buried · 16 hydrogen bonds · protein-protein
  • A–P · 881 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 3E6H · MHC CLASS I H-2Dd heavy chain complexed with Beta-2 Microglobulin and a variant peptide… · the same entry in another collection · chain A against A, TM-score 1.00
  • P01900 · AlphaFold monomer V2.0 prediction for H-2 class I histocompatibility antigen, D-D alpha… · a predicted model of the same protein · chain A against A, TM-score 0.97

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