Structure of PDB 1tqx Chain A Binding Site BS01

Receptor Information

>1tqx Chain A (length=221) Species: 36329 (Plasmodium falciparum 3D7)

LKAIIAPSVLASNISKLAEETQRMESLGAEWIHLDVMDMHFVPNLSFGPP
VINNLKKYTKSIFFDVHLMVEYPEKYVPLLKTSNQLTFHFEALNEDTERC
IQLAKEIRDNNLWCGISIKPKTDVQKLVPILDTNLINTVLVMTVEPGFGG
QSFMHDMMGKVSFLRKKYKNLNIQVDGGLNIETTEISASHGANIIVAGTS
IFNAEDPKYVIDTMRVSVQKY

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[O-]
  CACTVS 3.341: [O-][S]([O-])(=O)=O
  ACDLabs 10.04: [O-]S([O-])(=O)=O
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 1tqx Chain A Residue 2224

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1tqx Structure of a ribulose 5-phosphate 3-epimerase from Plasmodium falciparum.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): G152 G181 G201 T202
• Binding residue (residue number reindexed from 1): G149 G178 G198 T199
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S11 H36 D38 M40 H70 M72 M145 D179
• Catalytic site (residue number reindexed from 1): S8 H33 D35 M37 H67 M69 M142 D176
• Enzyme Commision number: 5.1.3.1: ribulose-phosphate 3-epimerase.

Gene Ontology

Molecular Function

• GO:0004750 D-ribulose-phosphate 3-epimerase activity
• GO:0016853 isomerase activity
• GO:0016857 racemase and epimerase activity, acting on carbohydrates and derivatives
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0006098 pentose-phosphate shunt
• GO:0009052 pentose-phosphate shunt, non-oxidative branch

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:1tqx, PDBe:1tqx, PDBj:1tqx
• PDBsum: 1tqx
• PubMed: 16304640
• UniProt: Q8I5L3