MolNFT v1 · #63478 · protein
Crystal structure of schistosoma mansoni purine nucleoside phosphorylase in complex with inosine
3FAZ · Purine-nucleoside phosphorylase: “Crystal structure of schistosoma mansoni purine nucleoside phosphorylase in complex with inosine”. X-ray diffraction, 2 ligands (NOS, SO4), 5 pockets (best druggability 0.74). MolNFT v1 #63478 on…
- PDB
- 3FAZ
- Type
- protein
- Length
- 850 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
- NOS, SO4
- Pockets
- 5 · best druggability 0.74
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 | 282 | 36% helix, 24% strand | Q9BMI9 |
| B | Purine-nucleoside phosphorylase (EC 2.4.2.1) | protein | 283 | 36% helix, 24% strand | Q9BMI9 |
| C | Purine-nucleoside phosphorylase (EC 2.4.2.1) | protein | 285 | 35% helix, 25% strand | Q9BMI9 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 64 | 0.74 | 0.98 | 20 | empty |
| 2 | 395 | 0.67 | 0.80 | 45 | NOS, SO4 |
| 3 | 402 | 0.66 | 0.79 | 42 | NOS |
| 4 | 314 | 0.63 | 0.79 | 35 | NOS, SO4 |
| 5 | 397 | 0.59 | 0.76 | 66 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1287 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 1273 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1232 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 3FAZ · Crystal structure of Schistosoma mansoni purine nucleoside phosphorylase in complex with… · 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 3FAZ · PDBe 3FAZ · UniProt Q9BMI9
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