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MolNFT v1 · #18727 · protein

BETA2 microglobulin mutant H31Y displays hints for amyloid formations

1PY4 · Beta-2-microglobulin precursor: “BETA2 microglobulin mutant H31Y displays hints for amyloid formations”. X-ray diffraction, 4 pockets (best druggability 0.64). MolNFT v1 #18727 on GenesisL1: 3D structure, binding sites and pockets…

PDB
1PY4
Type
protein
Length
388 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-2-microglobulin precursor
UniProt
P61769
Pockets
4 · best druggability 0.64

Structure

x-ray diffraction · 3 distinct chains · 0% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-2-microglobulin precursorprotein980% helix, 52% strandP61769
B, DBeta-2-microglobulin precursorprotein970% helix, 53% strandP61769
CBeta-2-microglobulin precursorprotein960% helix, 49% strandP61769

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14030.640.7835empty
2900.560.8615empty
32560.470.7229empty
4590.310.7614empty

Interfaces

4 interfaces between chains.

  • A–C · 492 Ų buried · 5 hydrogen bonds · protein-protein
  • B–D · 421 Ų buried · 6 hydrogen bonds · protein-protein
  • A–D · 268 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 189 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 1PY4 · Beta2 microglobulin mutant H31Y displays hints for amyloid formations · the same entry in another collection · chain D against D, 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 0.98

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