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MolNFT v1 · #11125 · protein

Mutant (E219Q) maltotetraose-forming exo-amylase cocrystallized with maltotetraose (crystal type 1)

1JDC · 1,4-alpha maltotetrahydrolase: “Mutant (E219Q) maltotetraose-forming exo-amylase cocrystallized with maltotetraose (crystal type 1)”. X-ray diffraction, 2 ligands (GLC, CA), 2 pockets (best druggability 0.63). MolNFT v1 #11125 on…

PDB
1JDC
Type
protein
Length
418 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
1,4-alpha maltotetrahydrolase
EC
3.2.1.60
UniProt
P13507
Ligands
GLC, CA
Pockets
2 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A1,4-alpha maltotetrahydrolase (EC 3.2.1.60)protein41834% helix, 18% strandP13507

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A
  • CA · Calcium ion · metal · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13420.630.7937GLC
21310.510.8124empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 1JDC · Mutant (E219Q) maltotetraose-forming exo-amylase cocrystallized with maltotetraose… · the same entry in another collection · chain A against A, TM-score 1.00
  • P13507 · AlphaFold monomer V2.0 prediction for glucan 1,4-alpha- maltotetraohydrolase (P13507) · a predicted model of the same protein · chain A against A, TM-score 1.00

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