Research workbench
Crystal structure of plasmodium falciparum purine nucleoside phosphorylase: the M183L mutant
Analyse Crystal structure of plasmodium falciparum purine nucleoside phosphorylase: the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6AQU
- Type
- protein
- Length
- 442 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Purine nucleoside phosphorylase
- EC
- 2.4.2.1
- UniProt
- Q8T9Z7
- Ligands
- PO4
- Pockets
- 4 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Purine nucleoside phosphorylase (EC 2.4.2.1) | protein | 219 | 33% helix, 32% strand | Q8T9Z7 |
| B | Purine nucleoside phosphorylase (EC 2.4.2.1) | protein | 223 | 32% helix, 31% strand | Q8T9Z7 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 279 | 0.60 | 0.79 | 25 | empty |
| 2 | 273 | 0.60 | 0.79 | 27 | empty |
| 3 | 130 | 0.52 | 0.81 | 30 | PO4 |
| 4 | 98 | 0.44 | 0.79 | 19 | PO4 |
Interfaces
1 interface between chains.
- A–B · 1269 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 6AQU · Crystal Structure of Plasmodium falciparum purine nucleoside phosphorylase: The M183L… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8T9Z7 · AlphaFold monomer V2.0 prediction for purine nucleoside phosphorylase (Q8T9Z7) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q8T9Z7
- Elsewhere: RCSB PDB 6AQU · PDBe 6AQU · UniProt Q8T9Z7
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