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Crystal structure of the three-domain cyclomaltodextrin glucanotransferase clda in the monomeric form

Analyse Crystal structure of the three-domain cyclomaltodextrin glucanotransferase clda… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6WNU
Type
protein
Length
494 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cyclomaltodextrin glucanotransferase
EC
2.4.1.19
UniProt
U5CJP3
Ligands
CA
Pockets
2 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACyclomaltodextrin glucanotransferase (EC 2.4.1.19)protein49431% helix, 24% strandU5CJP3

Ligands and binding sites

  • CA · Calcium ion · metal · 3 copies · chains A
  • ACT · Acetate ion · additive · 4 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 4 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14170.650.7952ACT, PEG
21260.450.7726empty

Compared structures

  • 6WNU · Crystal structure of the three-domain cyclomaltodextrin glucanotransferase CldA in the… · the same entry in another collection · chain A against A, TM-score 1.00

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