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MolNFT v1 · #179569 · protein

Co-crystal structure of alpha glucosidase with compound 2

7K9N: “Co-crystal structure of alpha glucosidase with compound 2”. X-ray diffraction, 3 ligands (W9G, CA, SO4). MolNFT v1 #179569 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7K9N
Type
protein
Length
1,883 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
A1A4T2, O08795
Ligands
W9G, CA, SO4

Structure

x-ray diffraction · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein853—A1A4T2
B, D—protein87—O08795
C—protein856—A1A4T2

Ligands and binding sites

  • W9G · (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(9-methoxynonyl) amino]cyclohexane-1,2,3,4-tetrol · ligand · 2 copies · chains A, C
  • CA · Calcium ion · metal · 4 copies · chains B, D
  • SO4 · Sulfate ion · ion · 8 copies · chains A, C
  • EDO · 1,2-ethanediol · additive · 28 copies · chains A, B, C, D
  • PEG · Di(hydroxyethyl)ether · additive · 8 copies · chains A, B, C, D
  • PGE · Triethylene glycol · additive · 4 copies · chains A, B
  • PG4 · Tetraethylene glycol · additive · 3 copies · chains A, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 7K9N · Co-crystal structure of alpha glucosidase with compound 2 · the same entry in another collection · chain A against A, TM-score 1.00
  • O08795 · AlphaFold monomer V2.0 prediction for glucosidase 2 subunit beta (O08795) · a predicted model of the same protein · chain B against A, TM-score 0.92

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