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Crystal structure of asch domain from zymomonas mobilis

Analyse Crystal structure of asch domain from zymomonas mobilis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5GUS
Type
protein
Length
287 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Helix-turn-helix domain-containing protein
UniProt
A0A0H3G0N3
Ligands
CL, SO4
Pockets
1 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHelix-turn-helix domain-containing proteinprotein14331% helix, 36% strandA0A0H3G0N3
BHelix-turn-helix domain-containing proteinprotein14431% helix, 36% strandA0A0H3G0N3

Ligands and binding sites

  • CL · Chloride ion · ion · 3 copies · chains A, B
  • SO4 · Sulfate ion · ion · 3 copies · chains A, B
  • PE8 · 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110040.830.8377PE8, CL

Interfaces

1 interface between chains.

  • A–B · 1124 Ų buried · 26 hydrogen bonds · protein-protein

Compared structures

  • 5GUS · Crystal structure of ASCH domain from Zymomonas mobilis · the same entry in another collection · chain A against A, TM-score 1.00

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