Structure of PDB 2gq1 Chain A Binding Site BS04

Receptor Information
>2gq1 Chain A (length=310) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTLGEFIVEKQHEFSHATGELTALLSAIKLGAKIIHRDINKLDLFANEK
LKAALKARDIVAGIASEEEDEIVVFEGCEHAKYVVLMDPLDGSSNIDVNV
SVGTIFSIYRRVTPVGTPVTEEDFLQPGNKQVAAGYVVYGSSTMLVYTTG
CGVHAFTYDPSLGVFCLCQERMRFPEKGKTYSINEGNYIKFPNGVKKYIK
FCQEEDKSTNRPYTSRYIGSLVADFHRNLLKGGIYLYPSTASHPDGKLRL
LYECNPMAFLAEQAGGKASDGKERILDIIPETLHQRRSFFVGNDHMVEDV
ERFIREFPDA
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
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
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain2gq1 Chain A Residue 346 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gq1 Novel Allosteric Activation Site in Escherichia coli Fructose-1,6-bisphosphatase.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		A18 G20 E21
Binding residue
(residue number reindexed from 1)		A18 G20 E21
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D66 E89 E90 D110 L112 D113 E275
Catalytic site (residue number reindexed from 1) D44 E67 E68 D88 L90 D91 E253
Enzyme Commision number 3.1.3.11: fructose-bisphosphatase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0042132 fructose 1,6-bisphosphate 1-phosphatase activity
GO:0042578 phosphoric ester hydrolase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005986 sucrose biosynthetic process
GO:0006000 fructose metabolic process
GO:0006002 fructose 6-phosphate metabolic process
GO:0006094 gluconeogenesis
GO:0030388 fructose 1,6-bisphosphate metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2gq1, PDBe:2gq1, PDBj:2gq1
PDBsum2gq1
PubMed16670087
UniProtP0A993|F16PA_ECOLI Fructose-1,6-bisphosphatase class 1 (Gene Name=fbp)

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