Structure of PDB 3glc Chain F Binding Site BS01

Receptor Information
>3glc Chain F (length=276) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKDFRTDQPQKNIPFTLKGCGALDWGMQSRLSRIFNPKTGKTVMLAFDHG
YFQGPTTGLERIDINIAPLFEHADVLMCTRGILRSVVPPATNRPVVLRAS
GANSILAELSNEAVALSMDDAVRLNSCAVAAQVYIGSEYEHQSIKNIIQL
VDAGMKVGMPTMAVTGVVRDQRYFSLATRIAAEMGAQIIKTYYVEKGFER
IVAGCPVPIVIAGGKKLPEREALEMCWQAIDQGASGVDMGRNIFQSDHPV
AMMKAVQAVVHHNETADRAYELYLSE
Ligand information
Ligand IDR5P
InChIInChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1
InChIKeyPPQRONHOSHZGFQ-LMVFSUKVSA-N
SMILES
SoftwareSMILES
CACTVS 3.370O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)C=O
CACTVS 3.370O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C=O
ACDLabs 12.01O=P(OCC(O)C(O)C(O)C=O)(O)O
OpenEye OEToolkits 1.7.6C(C(C(C(C=O)O)O)O)OP(=O)(O)O
FormulaC5 H11 O8 P
NameRIBOSE-5-PHOSPHATE
ChEMBL
DrugBankDB02053
ZINCZINC000022116391
PDB chain3glc Chain F Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3glc The crystal structure of the Escherichia coli autoinducer-2 processing protein LsrF.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D57 H58 K203 G226 G227 G253 R254
Binding residue
(residue number reindexed from 1)		D48 H49 K190 G213 G214 G240 R241
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.245: 3-hydroxy-5-phosphooxypentane-2,4-dione thiolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004332 fructose-bisphosphate aldolase activity
GO:0016740 transferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0016829 lyase activity
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3glc, PDBe:3glc, PDBj:3glc
PDBsum3glc
PubMed19714241
UniProtP76143|LSRF_ECOLI 3-hydroxy-5-phosphonooxypentane-2,4-dione thiolase (Gene Name=lsrF)

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