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).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Purine trans deoxyribosylase (EC 2.4.2.6) | protein | 165 | 34% helix, 19% strand | Q8RLY5 |
| B | Purine trans deoxyribosylase (EC 2.4.2.6) | protein | 167 | 34% helix, 19% strand | Q8RLY5 |
| C | Purine trans deoxyribosylase (EC 2.4.2.6) | protein | 153 | 37% helix, 20% strand | Q8RLY5 |
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 218 | 0.73 | 0.89 | 27 | empty |
| 2 | 80 | 0.62 | 0.90 | 16 | empty |
| 3 | 207 | 0.52 | 0.77 | 32 | empty |
| 4 | 219 | 0.50 | 0.76 | 31 | empty |
| 5 | 76 | 0.39 | 0.78 | 18 | empty |
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
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q8RLY5
- Elsewhere: RCSB PDB 1S2L · PDBe 1S2L · UniProt Q8RLY5
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