Structure of PDB 3mb8 Chain B Binding Site BS02

Receptor Information

>3mb8 Chain B (length=248) Species: 5811 (Toxoplasma gondii)

LMQGMEVQPHIRLRKEDVEPVVIIVGDPARTEEVANMCEKKQELAYNREY
RSFRVVYDSQPITVISHGIGCPGTSIAIEELAYLGAKVIIRAGTCGSLKP
KTLKQGDVCVTYAAVNETGLISNILPEGFPCVATPHVYQALMDAAKELGI
EAASGIGVTQDYFYQNGILPSKLEMYSKCCDVIDMEMSGVLGLCQARGIA
TCGILAVDGSPLQWDEGDYDATGVKATTGKENMVKITLKACANLRRQY

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 3mb8 Chain B Residue 281

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3mb8 Inhibition and Structure of Toxoplasma gondii Purine Nucleoside Phosphorylase.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): G28 R32 R93 T96
• Binding residue (residue number reindexed from 1): G26 R30 R91 T94
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H12 G28 R32 R50 E82 R93 T96 D210 G211 P213 V226
• Catalytic site (residue number reindexed from 1): H10 G26 R30 R48 E80 R91 T94 D208 G209 P211 V224
• Enzyme Commision number: 2.4.2.1: purine-nucleoside phosphorylase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004731 purine-nucleoside phosphorylase activity
• GO:0004850 uridine phosphorylase activity
• GO:0016757 glycosyltransferase activity

Biological Process

• GO:0006218 uridine catabolic process
• GO:0009116 nucleoside metabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:3mb8, PDBe:3mb8, PDBj:3mb8
• PDBsum: 3mb8
• PubMed: 24585883
• UniProt: Q2HXR2