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Crystal structure of type 1 ribosome inactivating protein from momordica balsamina with lipopolysaccharide at 1.6 ångström resolution

Analyse Crystal structure of type 1 ribosome inactivating protein from momordica… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4GUW
Type
protein
Length
246 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RRNA N-glycosidase
EC
3.2.2.22
UniProt
D9J2T9
Ligands
LP5, NAG
Pockets
3 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARRNA N-glycosidase (EC 3.2.2.22)protein24642% helix, 22% strandD9J2T9

Ligands and binding sites

  • LP5 · (R)-((2R,3S,4R,5R,6R)-3-hydroxy-2-(hydroxymethyl)-5-((R)-3-hydroxytetradecanamido)-6-(phosphonooxy) tetrahydro-2H-pyran-4-yl) 3-hydroxytetradecanoate · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 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
11230.480.7919LP5
2580.320.7613empty
3520.250.7314empty

Modifications

Observed in the structure: 1 glycan (N-glycosylation).

Compared structures

  • 4GUW · Crystal structure of type 1 Ribosome inactivating protein from Momordica balsamina with… · the same entry in another collection · chain A against A, TM-score 1.00

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