Structure of PDB 2isw Chain A Binding Site BS02

Receptor Information
>2isw Chain A (length=307) Species: 5741 (Giardia intestinalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLCTLRQMLGEARKHKYGVGAFNVNNMEQIQGIMKAVVQLKSPVILQCSR
GALKYSDMIYLKKLCEAALEKHPDIPICIHLDHGDTLESVKMAIDLGFSS
VMIDASHHPFDENVRITKEVVAYAHARSVSVEAELGTLVQLTEPQDAKKF
VELTGVDALAVAIGTSHGAYKFKSRLAIDRVKTISDLTGIPLVMHGSSSV
PKDVKDMINKYGGKMPDAVGVPIESIVHAIGEGVCKINVDSDSRMAMTGA
IRKVFVEHPEKFDPRDYLGPGRDAITEMLIPKIKAFGSAGHAGDYKVVSL
EEAKAWY
Ligand information
Ligand IDPGH
InChIInChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
InChIKeyBAXHHWZKQZIJID-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(=O)NO
OpenEye OEToolkits 1.5.0C(C(=O)NO)OP(=O)(O)O
CACTVS 3.341ONC(=O)CO[P](O)(O)=O
FormulaC2 H6 N O6 P
NamePHOSPHOGLYCOLOHYDROXAMIC ACID
ChEMBLCHEMBL371668
DrugBankDB03026
ZINC
PDB chain2isw Chain A Residue 325 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2isw Characterization, kinetics, and crystal structures of fructose-1,6-bisphosphate aldolase from the human parasite, Giardia lamblia.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D83 H178 G179 K182 H210 G211 S213 N253 D255 S256
Binding residue
(residue number reindexed from 1)		D82 H167 G168 K171 H195 G196 S198 N238 D240 S241
Annotation score2
Binding affinityMOAD: Ki=37nM
PDBbind-CN: -logKd/Ki=7.43,Ki=37nM
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2isw, PDBe:2isw, PDBj:2isw
PDBsum2isw
PubMed17166851
UniProtA8B2U2|ALF_GIAIC Fructose-bisphosphate aldolase (Gene Name=fba)

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