MolNFT v1 · #22680 · protein
Crystal structure of the purine nucleoside phosphorylase from schistosoma mansoni in complex with non-detergent sulfobetaine 195 and acetate
1TCV · Purine-nucleoside phosphorylase: “Crystal structure of the purine nucleoside phosphorylase from schistosoma mansoni in complex with…”. X-ray diffraction, 1 ligand (NDS), 9 pockets (best druggability 0.76). MolNFT v1 #22680 on…
- PDB
- 1TCV
- Type
- protein
- Length
- 825 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Purine-nucleoside phosphorylase
- EC
- 2.4.2.1
- UniProt
- Q9BMI9
- Ligands
- NDS
- Pockets
- 9 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Purine-nucleoside phosphorylase (EC 2.4.2.1) | protein | 271 | 35% helix, 25% strand | Q9BMI9 |
| B | Purine-nucleoside phosphorylase (EC 2.4.2.1) | protein | 274 | 37% helix, 24% strand | Q9BMI9 |
| C | Purine-nucleoside phosphorylase (EC 2.4.2.1) | protein | 280 | 37% helix, 24% strand | Q9BMI9 |
Ligands and binding sites
- NDS · Ethyl dimethyl ammonio propane sulfonate · ligand · 3 copies · chains A, B, C
- ACT · Acetate ion · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 74 | 0.76 | 0.98 | 16 | empty |
| 2 | 292 | 0.62 | 0.80 | 35 | ACT, NDS |
| 3 | 252 | 0.56 | 0.78 | 30 | ACT, NDS |
| 4 | 103 | 0.52 | 0.83 | 18 | ACT, NDS |
| 5 | 88 | 0.45 | 0.80 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1300 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 1163 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1128 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 1TCV · Crystal Structure of the Purine Nucleoside Phosphorylase from Schistosoma mansoni in… · 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 Q9BMI9
- Elsewhere: RCSB PDB 1TCV · PDBe 1TCV · UniProt Q9BMI9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.