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Crystal structure of an outer membrane protein, part of a putative carbohydrate binding complex (BT_1022) from bacteroides thetaiotaomicron vpi-5482 at 1.93 a resolution

Analyse Crystal structure of an outer membrane protein, part of a putative carbohydrate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3G6I
Type
protein
Length
200 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative outer membrane protein, part of carbohydrate binding complex
UniProt
Q8A8Z5
Ligands
SO4
Pockets
3 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative outer membrane protein, part of carbohydrate binding complexprotein20079% helix, 0% strandQ8A8Z5

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 2 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1830.430.7912empty
21220.390.7420empty
3580.340.7718empty

Modifications

Observed in the structure: 3 modified (engineered).

Compared structures

  • 3G6I · Crystal structure of an outer membrane protein, part of a putative carbohydrate binding… · the same entry in another collection · chain A against A, TM-score 1.00

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