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Crystal structure suse from bacteroides thetaiotaomicron with maltoheptaose

Analyse Crystal structure suse from bacteroides thetaiotaomicron with maltoheptaose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4FCH
Type
protein
Length
426 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Outer membrane protein suse
UniProt
G8JZT0
Ligands
GLC, SO4
Pockets
2 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BOuter membrane protein suseprotein2138% helix, 44% strandG8JZT0

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 7 copies · chains A
  • SO4 · Sulfate ion · ion · 4 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 10 copies · chains A, B

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
13790.600.7637EDO
21170.370.7419empty

Interfaces

1 interface between chains.

  • A–B · 491 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 4FCH · Crystal Structure SusE from Bacteroides thetaiotaomicron with maltoheptaose · the same entry in another collection · chain A against A, TM-score 1.00
  • G8JZT0 · AlphaFold monomer V2.0 prediction for outer membrane protein suse (G8JZT0) · a predicted model of the same protein · chain A against A, TM-score 0.99

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