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Crystal structure of D48V mutant of human gltp bound with 12:0 disulfatide

Analyse Crystal structure of D48V mutant of human gltp bound with 12:0 disulfatide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4GXD
Type
protein
Length
200 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycolipid transfer protein
UniProt
Q9NZD2
Ligands
0SG
Pockets
1 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 71% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlycolipid transfer proteinprotein20071% helix, 1% strandQ9NZD2

Ligands and binding sites

  • 0SG · N-{(2S,3R,4E)-1-[(3,6-di-O-sulfo-beta-D-galactopyranosyl)oxy]-3-hydroxyoctadec-4-en-2-yl}dodecanamide · ligand · chains A

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
16690.790.83580SG

Compared structures

  • 4GXD · Crystal structure of D48V mutant of human GLTP bound with 12:0 disulfatide · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NZD2 · AlphaFold monomer V2.0 prediction for glycolipid transfer protein (Q9NZD2) · a predicted model of the same protein · chain A against A, TM-score 0.98

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