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Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 4-chloro-6-methylpyrimidin-2-amine

Analyse Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6BJ7
Type: protein
Length: 282 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.56
Source: Schistosoma mansoni
Molecule: Purine nucleoside phosphorylase
EC: 2.4.2.1
UniProt: A0A0U3AGT1
Ligands: DU7
Pockets: 2 · best druggability 0.65

Structure

x-ray diffraction · resolution 1.56 · 1 distinct chain · 39% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Purine nucleoside phosphorylase (EC 2.4.2.1)	protein	282	39% helix, 24% strand	A0A0U3AGT1

Ligands and binding sites

DU7 · 4-chloro-6-methylpyrimidin-2-amine · ligand · chains A
DMS · Dimethyl sulfoxide · additive · 5 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	323	0.65	0.81	44	DMS, DU7
2	61	0.33	0.76	13	DMS

Modifications

Observed in the structure: 1 modified (artifact).

Compared structures

6BJ7 · Crystal structure of purine nucleoside phosphorylase isoform 2 from schistosoma mansoni… · 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 A0A0U3AGT1
Elsewhere: RCSB PDB 6BJ7 · PDBe 6BJ7 · UniProt A0A0U3AGT1

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