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MolNFT v1 · #21198 · protein

Purine 2'DEOXYRIBOSYLTRANSFERASE native structure

1S2L · Purine trans deoxyribosylase: “Purine 2'DEOXYRIBOSYLTRANSFERASE native structure”. X-ray diffraction, 13 pockets (best druggability 0.73). MolNFT v1 #21198 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1S2L
Type
protein
Length
485 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Purine trans deoxyribosylase
EC
2.4.2.6
UniProt
Q8RLY5
Pockets
13 · best druggability 0.73

Structure

x-ray diffraction · 3 distinct chains · 35% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APurine trans deoxyribosylase (EC 2.4.2.6)protein16534% helix, 19% strandQ8RLY5
BPurine trans deoxyribosylase (EC 2.4.2.6)protein16734% helix, 19% strandQ8RLY5
CPurine trans deoxyribosylase (EC 2.4.2.6)protein15337% helix, 20% strandQ8RLY5

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12180.730.8927empty
2800.620.9016empty
32070.520.7732empty
42190.500.7631empty
5760.390.7818empty

Interfaces

3 interfaces between chains.

  • B–C · 955 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 846 Ų buried · 12 hydrogen bonds · protein-protein
  • A–C · 744 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 1S2L · Purine 2'deoxyribosyltransferase native structure · the same entry in another collection · chain A against A, TM-score 1.00

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