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Plasmodium falciparum purine nucleoside phosphorylase in complex with mefloquine

Analyse Plasmodium falciparum purine nucleoside phosphorylase in complex with mefloquine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5ZNI
Type: protein
Length: 231 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Purine nucleoside phosphorylase
EC: 2.4.2.1
UniProt: Q8T9Z7
Ligands: YMZ, PO4
Pockets: 1 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Purine nucleoside phosphorylase (EC 2.4.2.1)	protein	231	32% helix, 31% strand	Q8T9Z7

Ligands and binding sites

YMZ · (11R,12S)- Mefloquine · ligand · chains A
PO4 · Phosphate ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	187	0.49	0.76	27	PO4, YMZ

Compared structures

5ZNI · Plasmodium falciparum purine nucleoside phosphorylase in complex with mefloquine · 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 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 Q8T9Z7
Elsewhere: RCSB PDB 5ZNI · PDBe 5ZNI · UniProt Q8T9Z7

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