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Crystal structure of truncated exo-1,3/1,4-beta-glucanase (exop) from pseudoalteromonas sp. BB1

Analyse Crystal structure of truncated exo-1,3/1,4-beta-glucanase (exop) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3USZ
Type
protein
Length
622 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Exo-1,3/1,4-beta-glucanase
EC
3.2.1.-
UniProt
Q0QJA3
Ligands
CA, NA, K
Pockets
3 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AExo-1,3/1,4-beta-glucanase (EC 3.2.1.-)protein62238% helix, 14% strandQ0QJA3

Ligands and binding sites

  • CA · Calcium ion · metal · chains A
  • NA · Sodium ion · metal · chains A
  • K · Potassium ion · metal · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13090.670.8248EDO
21930.500.7631empty
3520.270.7416empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 3USZ · Crystal structure of truncated exo-1,3/1,4-beta-glucanase (EXOP) from Pseudoalteromonas… · the same entry in another collection · chain A against A, TM-score 1.00

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