GL1X · GenesisL1 explorer

MolNFT v1 · #179639 · protein

Co-crystal structure of alpha glucosidase with compound 10

7KBR: “Co-crystal structure of alpha glucosidase with compound 10”. X-ray diffraction, 3 ligands (WAS, CA, SO4). MolNFT v1 #179639 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7KBR
Type
protein
Length
1,876 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q8BHN3, O08795
Ligands
WAS, CA, SO4

Structure

x-ray diffraction · 7 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
G—protein151—Q8BHN3
H—protein105—Q8BHN3
A, C—protein597—Q8BHN3
B—protein83—O08795
I—protein152—Q8BHN3
J—protein107—Q8BHN3
D—protein84—O08795

Ligands and binding sites

  • WAS · 2-{[2-nitro-4-(triazan-1-yl)phenyl]amino}ethyl (2-{[(1S,2S,3R,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}ethyl)carbamate · ligand · 2 copies · chains H, A, C, J
  • CA · Calcium ion · metal · 4 copies · chains B, D
  • SO4 · Sulfate ion · ion · 8 copies · chains H, A, C, B
  • EDO · 1,2-ethanediol · additive · 31 copies · chains G, H, A, B, C, I, J, D
  • PEG · Di(hydroxyethyl)ether · additive · 14 copies · chains G, A, B, C, D
  • PGE · Triethylene glycol · additive · 5 copies · chains A, B, G
  • PG4 · Tetraethylene glycol · additive · 3 copies · chains A, B, C, D

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

Compared structures

  • 7KBR · Co-crystal structure of alpha glucosidase with compound 10 · the same entry in another collection · chain D against D, TM-score 1.00
  • Q8BHN3 · AlphaFold monomer V2.0 prediction for neutral alpha-glucosidase ab (Q8BHN3) · a predicted model of the same protein · chain A against A, TM-score 1.00

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