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MolNFT v1 · #177289 · protein

First insight into marsupial MHC I peptide presentation: immune features of lower mammals paralleled with bats

7EDO · MHC class I antigen: “First insight into marsupial MHC I peptide presentation: immune features of lower mammals paralleled with bats”. X-ray diffraction, 10 pockets (best druggability 0.73). MolNFT v1 #177289 on GenesisL1: 3D…

PDB
7EDO
Type
protein
Length
771 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
MHC class I antigen; Beta-2-microglobulin; Cys-asn-val-thr-leu-asn-tyr-pro
UniProt
Q95IT0, P61769
Pockets
10 · best druggability 0.73

Structure

x-ray diffraction · 4 distinct chains · 16% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DMHC class I antigenprotein27828% helix, 40% strandQ95IT0
BBeta-2-microglobulinprotein1000% helix, 49% strandP61769
C, FCys-asn-val-thr-leu-asn-tyr-proprotein80% helix, 0% strand—
EBeta-2-microglobulinprotein990% helix, 52% strandP61769

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1610.730.9821empty
25570.720.8171empty
37410.710.7857empty
45060.680.7860empty
55280.670.7749empty

Interfaces

7 interfaces between chains.

  • A–B · 1434 Ų buried · 20 hydrogen bonds · protein-protein
  • D–E · 1384 Ų buried · 21 hydrogen bonds · protein-protein
  • D–F · 839 Ų buried · 15 hydrogen bonds · protein-protein
  • A–C · 795 Ų buried · 14 hydrogen bonds · protein-protein
  • A–E · 251 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 7EDO · First insight into marsupial MHC I peptide presentation: immune features of lower mammals… · 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 B against A, TM-score 0.99

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