Structure of PDB 3big Chain A Binding Site BS01

Receptor Information
>3big Chain A (length=321) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRRELAIEFSRVTESAALAGYKWLGRGDKNTADGAAVNAMRIMLNQVNID
GTIVIGEGEIAEAPMLYIGEKVGTGRGDAVDIAVDPIEGTRMTAMGQANA
LAVLAVGDKGCFLNAPDMYMEKLIVGPGAKGTIDLNLPLADNLRNVAAAL
GKPLSELTVTILAKPRHDAVIAEMQQLGVRVFAIPDGDVAASILTCMPDS
EVDVLYGIGGAPEGVVSAAVIRALDGDMNGRLLARHDVKNEENRRIGEQE
LARCKAMGIEAGKVLRLGDMARSDNVIFSATGITKGDLLEGISRKGNIAT
TETLLIRGKSTIRRIQSIHYL
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3big Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3big Structural and Biochemical Characterization of the Type II Fructose-1,6-bisphosphatase GlpX from Escherichia coli.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		Y119 K164 R166 K239
Binding residue
(residue number reindexed from 1)		Y119 K164 R166 K239
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.11: fructose-bisphosphatase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0030145 manganese ion binding
GO:0042132 fructose 1,6-bisphosphate 1-phosphatase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0006071 glycerol metabolic process
GO:0006094 gluconeogenesis
GO:0030388 fructose 1,6-bisphosphate metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3big, PDBe:3big, PDBj:3big
PDBsum3big
PubMed19073594
UniProtP0A9C9|GLPX_ECOLI Fructose-1,6-bisphosphatase 1 class 2 (Gene Name=glpX)

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