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Ensemble refinement of the crystal structure of galt-like protein from arabidopsis thaliana AT5G18200

Analyse Ensemble refinement of the crystal structure of galt-like protein from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2Q4H
Type
protein
Length
616 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable galactose-1-phosphate uridyl transferase
EC
2.7.7.12
UniProt
Q9FK51
Ligands
AMP, ZN
Pockets
4 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProbable galactose-1-phosphate uridyl transferase (EC 2.7.7.12)protein31130% helix, 23% strandQ9FK51
BProbable galactose-1-phosphate uridyl transferase (EC 2.7.7.12)protein30529% helix, 23% strandQ9FK51

Ligands and binding sites

  • AMP · Adenosine monophosphate · ligand · 2 copies · chains A, B
  • ZN · Zinc ion · metal · 4 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 6 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111670.810.82117EDO, AMP
22900.550.7637AMP
3510.420.8313empty
4700.410.7913empty

Interfaces

1 interface between chains.

  • A–B · 1980 Ų buried · 26 hydrogen bonds · protein-protein

Compared structures

  • 2Q4H · Ensemble refinement of the crystal structure of GALT-like protein from Arabidopsis… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9FK51 · AlphaFold monomer V2.0 prediction for ADP-glucose phosphorylase (Q9FK51) · a predicted model of the same protein · chain B against A, TM-score 0.98

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