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MolNFT v1 · #20607 · protein

MHC class I natural mutant H-2KBM8 heavy chain complexed with beta-2 microglobulin and herpies simplex virus mutant glycoprotein B peptide

1RJZ · H-2 class I histocompatibility antigen, K-B alpha chain: “MHC class I natural mutant H-2KBM8 heavy chain complexed with beta-2 microglobulin and herpies simplex virus…”. X-ray diffraction, 9 pockets (best druggability 0.65). MolNFT…

PDB
1RJZ
Type
protein
Length
772 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, P06436
Pockets
9 · best druggability 0.65

Structure

x-ray diffraction · 3 distinct chains · 19% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DH-2 class I histocompatibility antigen, K-B alpha chainprotein27827% helix, 38% strandP01901
B, EBeta-2-microglobulinprotein1000% helix, 49% strandP01887
P, QGlycoprotein Bprotein80% helix, 0% strandP06436

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16610.650.7559empty
26650.640.7458empty
31550.530.8029empty
41670.520.7934empty
51090.460.7925empty

Interfaces

5 interfaces between chains.

  • A–B · 1288 Ų buried · 20 hydrogen bonds · protein-protein
  • D–E · 1239 Ų buried · 17 hydrogen bonds · protein-protein
  • D–Q · 890 Ų buried · 17 hydrogen bonds · protein-protein
  • A–P · 890 Ų buried · 21 hydrogen bonds · protein-protein
  • A–D · 162 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 1RJZ · Mhc Class I Natural Mutant H-2Kbm8 Heavy Chain Complexed With beta-2 Microglobulin and… · the same entry in another collection · chain Q against Q, TM-score 1.00
  • P01887 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P01887) · a predicted model of the same protein · chain B against A, TM-score 0.99

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