Structure of PDB 1td1 Chain A Binding Site BS01

Receptor Information

>1td1 Chain A (length=282) Species: 6183 (Schistosoma mansoni)

ESVTANIENVKKVAHHIQKLTSIVPEIGIICGSGLGKLADGVKDKITIPY
TKIPNFPQTSHSGNLIFGTLSGRKVVVMQGRFHMYEGYSNDTVALPIRVM
KLLGVKILMVSNAAGGLNRSLKLGDFVILKDHIYLPGLGLNNILVGPNQE
AFGTRFPALSNAYDRDLRKLAVQVAEENGFGNLVHQGVYVMNGGPCYETP
AECTMLLNMGCDVVGMSTIPEVVIARHCGIQVFAVSLVTNISVLDVESDL
KPNHEEVLATGAQRAELMQSWFEKIIEKLPKD

Ligand information

• Ligand ID: ACT
• InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
• InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-M
• SMILES:
  ACDLabs 10.04: [O-]C(=O)C
  OpenEye OEToolkits 1.5.0: CC(=O)[O-]
  CACTVS 3.341: CC([O-])=O
• Formula: C2 H3 O2
• Name: ACETATE ION
• DrugBank: DB14511
• PDB chain: 1td1 Chain A Residue 700

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1td1 Structures for the Potential Drug Target Purine Nucleoside Phosphorylase from Schistosoma mansoni Causal Agent of Schistosomiasis.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): A119 Y202 E203 V219 N245
• Binding residue (residue number reindexed from 1): A114 Y197 E198 V214 N240
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S35 H66 H88 Y90 E91 A118 M221 S222 N245 S247 H259
• Catalytic site (residue number reindexed from 1): S33 H61 H83 Y85 E86 A113 M216 S217 N240 S242 H254
• 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:0047975 guanosine phosphorylase activity

Biological Process

• GO:0006139 nucleobase-containing compound metabolic process
• GO:0009116 nucleoside metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1td1, PDBe:1td1, PDBj:1td1
• PDBsum: 1td1
• PubMed: 16182308
• UniProt: Q9BMI9