Structure of PDB 3ohi Chain B Binding Site BS01

Receptor Information

>3ohi Chain B (length=318) Species: 5741 (Giardia intestinalis)

PLCTLRQMLGEARKHKYGVGAFNVNNMEQIQGIMKAVVQLKSPVILQCSR
GALKYSDMIYLKKLCEAALEKHPDIPICIHLDHGDTLESVKMAIDLGFSS
VMIDASHHPFDENVRITKEVVAYAHARSVSVEAELGTLGGIENTVQLTEP
QDAKKFVELTGVDALAVAIGTSHGAYKFKSESDIRLAIDRVKTISDLTGI
PLVMHGSSSVPKDVKDMINKYGGKMPDAVGVPIESIVHAIGEGVCKINVD
SDSRMAMTGAIRKVFVEHPEKFDPRDYLGPGRDAITEMLIPKIKAFGSAG
HAGDYKVVSLEEAKAWYK

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 3ohi Chain B Residue 342

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ohi Rational design, synthesis and evaluation of first generation inhibitors of the Giardia lamblia fructose-1,6-biphosphate aldolase.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): H84 H178 H210
• Binding residue (residue number reindexed from 1): H83 H173 H205
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.1.2.13: fructose-bisphosphate aldolase.

Gene Ontology

Molecular Function

• GO:0004332 fructose-bisphosphate aldolase activity
• GO:0005515 protein binding
• GO:0008270 zinc ion binding
• GO:0016829 lyase activity
• GO:0016832 aldehyde-lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0006096 glycolytic process

External links

• PDB: RCSB:3ohi, PDBe:3ohi, PDBj:3ohi
• PDBsum: 3ohi
• PubMed: 21333622
• UniProt: A8B2U2|ALF_GIAIC Fructose-bisphosphate aldolase (Gene Name=fba)