Structure of PDB 7zsq Chain A Binding Site BS02

Receptor Information

>7zsq Chain A (length=262) Species: 1773 (Mycobacterium tuberculosis)

DPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAE
LPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRA
ARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDL
TDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVG
MSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATR
MGALLADVIARF

Ligand information

• Ligand ID: TEW
• InChI: InChI=1S/O6Te.H2O.17O.6W/c1-7(2,3,4,5)6;;;;;;;;;;;;;;;;;;;;;;;;/h;1H2;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;6*-1;;;;;;+1/p-1
• InChIKey: JDLYBIMRCSJRQJ-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 1.7.6: [O-]=[W]123(O[W]45(=O)(O1[Te]6789O2[W]1(=O)(O3)(O6[W]2(=O)(O1)(O7[W]1(=O)(O2)(O8[W](=O)(O94)(O5)(O1)[O-])[O-])[O-])[O-])[O-])[O]
• Formula: O24 Te W6
• Name: 6-tungstotellurate(VI)
• PDB chain: 7zsq Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7zsq Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
• Resolution: 1.77 Å
• Binding residue (original residue number in PDB): S36 H68 R88 H90 Y92 H243
• Binding residue (residue number reindexed from 1): S30 H62 R82 H84 Y86 H237
• Annotation score: 1

Enzymatic activity

• 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:0016757 glycosyltransferase activity
• GO:0016763 pentosyltransferase activity

Biological Process

• GO:0006139 nucleobase-containing compound metabolic process
• GO:0006154 adenosine catabolic process
• GO:0006161 deoxyguanosine catabolic process
• GO:0009116 nucleoside metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:7zsq, PDBe:7zsq, PDBj:7zsq
• PDBsum: 7zsq
• PubMed: 37134237
• UniProt: P9WP01|PUNA_MYCTU Purine nucleoside phosphorylase (Gene Name=punA)