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Crystal structure of purine nucleoside phosphorylase isoform 2 from schistosoma mansoni in complex with 2-{[(S)- BENZENESULFINYL]METHYL}BENZOIC acid

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: 6BJ6
Type: protein
Length: 281 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: A0A0U3AGT1
Ligands: DTS
Pockets: 3 · best druggability 0.62

Structure

x-ray diffraction · 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	281	39% helix, 24% strand	A0A0U3AGT1

Ligands and binding sites

DTS · 2-{[(S)-phenylsulfinyl]methyl}benzoic acid · ligand · chains A
DMS · Dimethyl sulfoxide · additive · 4 copies · chains A

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

Pockets

3 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	292	0.62	0.80	46	DTS
2	53	0.32	0.77	13	empty
3	50	0.29	0.75	11	empty

Modifications

Observed in the structure: 1 modified (artifact).

Compared structures

6BJ6 · 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

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Every structure of UniProt A0A0U3AGT1
Elsewhere: RCSB PDB 6BJ6 · PDBe 6BJ6 · UniProt A0A0U3AGT1

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