Structure of PDB 2ox3 Chain A Binding Site BS02

Receptor Information
>2ox3 Chain A (length=315) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTLGEFIVEKQHEFSHATGELTALLSAIKLGAKIIHRDINKAGLQKLDL
FANEKLKAALKARDIVAGIASEEEDEIVVFEGCEHAKYVVLMDPLDGSSN
IDVNVSVGTIFSIYRRVTPVGTPVTEEDFLQPGNKQVAAGYVVYGSSTML
VYTTGCGVHAFTYDPSLGVFCLCQERMRFPEKGKTYSINEGNYIKFPNGV
KKYIKFCQEEDKSTNRPYTSRYIGSLVADFHRNLLKGGIYLYPSTASHPD
GKLRLLYECNPMAFLAEQAGGKASDGKERILDIIPETLHQRRSFFVGNDH
MVEDVERFIREFPDA
Ligand information
Ligand IDPEP
InChIInChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChIKeyDTBNBXWJWCWCIK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=C(C(=O)O)OP(=O)(O)O
CACTVS 3.341OC(=O)C(=C)O[P](O)(O)=O
ACDLabs 10.04O=C(O)C(\OP(=O)(O)O)=C
FormulaC3 H5 O6 P
NamePHOSPHOENOLPYRUVATE
ChEMBLCHEMBL1235228
DrugBankDB01819
ZINCZINC000003870145
PDB chain2ox3 Chain A Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ox3 Structures of activated fructose-1,6-bisphosphatase from Escherichia coli. Coordinate regulation of bacterial metabolism and the conservation of the R-state.
Resolution2.18 Å
Binding residue
(original residue number in PDB)		T3 L4 G5 K30 V186
Binding residue
(residue number reindexed from 1)		T3 L4 G5 K30 V169
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) D49 E72 E73 D93 L95 D96 E258
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:2ox3, PDBe:2ox3, PDBj:2ox3
PDBsum2ox3
PubMed17314096
UniProtP0A993|F16PA_ECOLI Fructose-1,6-bisphosphatase class 1 (Gene Name=fbp)

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