GL1X · GenesisL1 explorer

MolNFT v1 · #121084 · protein

Crystal structure of mouse TANKYRASE/HUMAN TRF1 complex

5HKP · Tankyrase-1: “Crystal structure of mouse TANKYRASE/HUMAN TRF1 complex”. X-ray diffraction, 2 pockets (best druggability 0.69). MolNFT v1 #121084 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5HKP
Type
protein
Length
647 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tankyrase-1; Telomeric repeat-binding factor 1
EC
2.4.2.30
UniProt
Q6PFX9, P54274
Pockets
2 · best druggability 0.69

Structure

x-ray diffraction · 4 distinct chains · 51% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATankyrase-1 (EC 2.4.2.30)protein31352% helix, 0% strandQ6PFX9
BTankyrase-1 (EC 2.4.2.30)protein31154% helix, 0% strandQ6PFX9
CTelomeric repeat-binding factor 1protein120% helix, 0% strandP54274
DTelomeric repeat-binding factor 1protein110% helix, 0% strandP54274

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14640.690.8041empty
2950.330.7316empty

Interfaces

3 interfaces between chains.

  • A–B · 2186 Ų buried · 9 hydrogen bonds · protein-protein
  • A–C · 668 Ų buried · 15 hydrogen bonds · protein-protein
  • B–D · 640 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 5HKP · Crystal structure of mouse Tankyrase/human TRF1 complex · the same entry in another collection · chain D against D, TM-score 1.00
  • Q6PFX9 · AlphaFold monomer V2.0 prediction for poly [ADP-ribose] polymerase tankyrase-1 (Q6PFX9) · a predicted model of the same protein · chain B against A, TM-score 0.70
  • P54274 · AlphaFold monomer V2.0 prediction for telomeric repeat-binding factor 1 (P54274) · a predicted model of the same protein · chain C against A, TM-score 0.32

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