MolNFT v1 · #144094 · protein

Crystal structure of purine nucleoside phosphorylase isoform 2 from schistosoma mansoni in complex with 4-chloro-6-methylpyrimidin-2- amine

6BJ7: “Crystal structure of purine nucleoside phosphorylase isoform 2 from schistosoma mansoni in complex with…”. X-ray diffraction, 1 ligand (DU7), 2 pockets (best druggability 0.65). MolNFT v1 #144094 on GenesisL1: 3D structure, binding…

PDB: 6BJ7
Type: protein
Length: 282 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: DU7
Pockets: 2 · best druggability 0.65

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	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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