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MolNFT v1 · #17021 · protein

Crystal structure of the eucaryotic mono-ADP-ribosyltransferase ART2.2 in complex with tad

1OG1 · T-cell ecto-ADP-ribosyltransferase 2: “Crystal structure of the eucaryotic mono-ADP-ribosyltransferase ART2.2 in complex with tad”. X-ray diffraction, 1 ligand (TAD), 3 pockets (best druggability 0.62). MolNFT v1 #17021 on…

PDB
1OG1
Type
protein
Length
223 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
T-cell ecto-ADP-ribosyltransferase 2
EC
2.4.2.31
UniProt
P20974
Ligands
TAD
Pockets
3 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AT-cell ecto-ADP-ribosyltransferase 2 (EC 2.4.2.31)protein22335% helix, 22% strandP20974

Ligands and binding sites

  • TAD · Beta-methylene-thiazole-4-carboxyamide-adenine dinucleotide · ligand · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13250.620.7939TAD
2590.340.7713empty
3510.280.7515empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 1OG1 · Crystal structure of the eucaryotic mono-ADP-ribosyltransferase ART2.2 in complex with tad · the same entry in another collection · chain A against A, TM-score 1.00
  • P20974 · AlphaFold monomer V2.0 prediction for T-cell ecto-ADP- ribosyltransferase 2 (P20974) · a predicted model of the same protein · chain A against A, TM-score 0.98

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