GL1X · GenesisL1 explorer

MolNFT v1 · #144395 · protein

Susg with mixed linkage amylosaccharide

6BS6 · Alpha-amylase susg: “Susg with mixed linkage amylosaccharide”. X-ray diffraction, 2 ligands (GLC, CA), 10 pockets (best druggability 0.77). MolNFT v1 #144395 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6BS6
Type
protein
Length
1,297 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alpha-amylase susg
EC
3.2.1.1
UniProt
Q8A1G3
Ligands
GLC, CA
Pockets
10 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 29% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAlpha-amylase susg (EC 3.2.1.1)protein64828% helix, 23% strandQ8A1G3
BAlpha-amylase susg (EC 3.2.1.1)protein64929% helix, 23% strandQ8A1G3

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 32 copies · chains A, B
  • CA · Calcium ion · metal · 4 copies · chains A, B
  • GOL · Glycerol · additive · chains A
  • ACT · Acetate ion · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18530.770.8167empty
21360.440.7620GLC
31300.440.7622GLC
4770.390.7817empty
5650.360.7816empty

Interfaces

1 interface between chains.

  • A–B · 625 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 6BS6 · SusG with mixed linkage amylosaccharide · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8A1G3 · AlphaFold monomer V2.0 prediction for alpha-amylase susg (Q8A1G3) · a predicted model of the same protein · chain B against A, TM-score 1.00

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