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Ensemble refinement of the crystal structure of a lysine decarboxylase-like protein from arabidopsis thaliana gene AT2G37210

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

PDB
2Q4O
Type
protein
Length
348 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein AT2G37210/T2N18.3
UniProt
Q8L8B8
Ligands
MG, SO4
Pockets
2 · best druggability 0.55

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized protein AT2G37210/T2N18.3protein17547% helix, 18% strandQ8L8B8
BUncharacterized protein AT2G37210/T2N18.3protein17348% helix, 18% strandQ8L8B8

Ligands and binding sites

  • MG · Magnesium ion · metal · chains B
  • SO4 · Sulfate ion · ion · 2 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12120.550.7831SO4
21550.510.7930SO4

Interfaces

1 interface between chains.

  • A–B · 1885 Ų buried · 18 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 2Q4O · Ensemble refinement of the crystal structure of a lysine decarboxylase-like protein from… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8L8B8 · AlphaFold monomer V2.0 prediction for cytokinin riboside 5'-monophosphate… · a predicted model of the same protein · chain A against A, TM-score 0.99

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