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MolNFT v1 · #163698 · protein

Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH tolerance

6SAO: “Structural and functional characterisation of three novel fungal amylases with enhanced stability and pH…”. X-ray diffraction, 6 ligands (AC1, GLC, BGC), 1 pocket (best druggability 0.49). MolNFT v1 #163698 on GenesisL1: 3D…

PDB
6SAO
Type
protein
Length
438 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Amylase
Ligands
AC1, GLC, BGC, NAG, CA, SO4
Pockets
1 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAmylaseprotein43835% helix, 19% strand—

Ligands and binding sites

  • AC1 · 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose · ligand · 2 copies · chains A
  • GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
  • BGC · beta-D-glucopyranose · sugar · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
  • CA · Calcium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 6 copies · chains A
  • EDO · 1,2-ethanediol · additive · 2 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11710.490.7725AC1, GLC

Modifications

Observed in the structure: 2 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 6SAO · Structural and functional characterisation of three novel fungal amylases with enhanced… · the same entry in another collection · chain A against A, TM-score 1.00

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