Structure of PDB 3t2b Chain A Binding Site BS02

Receptor Information
>3t2b Chain A (length=379) Species: 444157 (Pyrobaculum neutrophilum V24Sta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRVTVSIIKADVGGFPGHAHVHPKMLEYAAAKLKEAQKRGVIIDYFVYNV
GDDISLLMTHTKGEDNKDIHGLAWETFKEVTDQIAKRFKLYGAGQDLSGN
IRGMGPQVAEMEFEERPSEPIIAFAADKTEPGAFNLPLYKMFADPFTTAG
LVIDPSMHEGFIFEVLDVVEHKVYLLKTPEDAYSLLGLIGTTGRYIIRKV
FRRADGAPAAANSVERLSYVGKDDPVLLVRAQSGLPAVGEVLEAFAHPHL
VHGWMRGSHAGPLMPARFISVDPERRIAIGPKMTRFDGPPKVGALGFQLH
EGYLEGGVDLFDDPAFDYVRQTAAQIADYIRRMGPFQPHRLPPEEMEYTA
LPKILAKVKPYPADQYEKDRKKYIEAVVK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3t2b Chain A Residue 409 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3t2b Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.
Resolution1.52 Å
Binding residue
(original residue number in PDB)		D52 D53 D132 D234
Binding residue
(residue number reindexed from 1)		D52 D53 D127 D224
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.11: fructose-bisphosphatase.
4.1.2.13: fructose-bisphosphate aldolase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004332 fructose-bisphosphate aldolase activity
GO:0016787 hydrolase activity
GO:0016829 lyase activity
GO:0042132 fructose 1,6-bisphosphate 1-phosphatase activity
GO:0046872 metal ion binding
Biological Process
GO:0006094 gluconeogenesis

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3t2b, PDBe:3t2b, PDBj:3t2b
PDBsum3t2b
PubMed21983965
UniProtB1YAL1|FBPAP_PYRNV Fructose-1,6-bisphosphate aldolase/phosphatase (Gene Name=fbp)

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