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Complex structure of human poly-ADP-ribosyltransferase TNKS1 ARC2-ARC3 and P antigen family member 4 (PAGE4)

Analyse Complex structure of human poly-ADP-ribosyltransferase TNKS1 ARC2-ARC3 and P… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6URQ
Type
protein
Length
632 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Poly [ADP-ribose] polymerase tankyrase-1; P antigen family member 4
EC
2.4.2.30, 2.4.2.-
UniProt
O95271, O60829
Ligands
SO4
Pockets
2 · best druggability 0.66

Structure

x-ray diffraction · 3 distinct chains · 52% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APoly [ADP-ribose] polymerase tankyrase-1 (EC 2.4.2.30, 2.4.2.-)protein30953% helix, 0% strandO95271
BPoly [ADP-ribose] polymerase tankyrase-1 (EC 2.4.2.30, 2.4.2.-)protein30752% helix, 0% strandO95271
C, DP antigen family member 4protein80% helix, 0% strandO60829

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A, B
  • GOL · Glycerol · additive · chains 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15320.660.7743empty
2590.260.7215empty

Interfaces

3 interfaces between chains.

  • A–B · 2064 Ų buried · 6 hydrogen bonds · protein-protein
  • A–D · 592 Ų buried · 14 hydrogen bonds · protein-protein
  • B–C · 589 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 6URQ · Complex structure of human poly-ADP-ribosyltransferase TNKS1 ARC2-ARC3 and P antigen… · the same entry in another collection · chain A against A, TM-score 1.00
  • O60829 · AlphaFold monomer V2.0 prediction for P antigen family member 4 (O60829) · a predicted model of the same protein · chain C against A, TM-score 0.35

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