Structure of PDB 3ls6 Chain B Binding Site BS02

Receptor Information
>3ls6 Chain B (length=203) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTPFERVELALDALREGRGVMVLDDEDRENEGDMIFPAETMTVEQMALTI
RHGSGIVCLCITEDRRKQLDLPMMVENNTSAYGTGFTVTIEAAEGVTTGV
SAADRVTTVRAAIKDGAKPSDLNRPGHVFPLRAQAGGVLTRGGHTEATID
LMTLAGFKPAGVLCELTNDDGTMARAPECIAFAGQHNMAVVTIEDLVAYR
QAH
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3ls6 Chain B Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ls6 Potential anti-bacterial drug target: structural characterization of 3,4-dihydroxy-2-butanone-4-phosphate synthase from Salmonella typhimurium LT2.
Resolution1.86 Å
Binding residue
(original residue number in PDB)		E38 H153
Binding residue
(residue number reindexed from 1)		E29 H144
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E38 D42 C67 Y91 F95 E100 H136 H153 E174
Catalytic site (residue number reindexed from 1) E29 D33 C58 Y82 F86 E91 H127 H144 E165
Enzyme Commision number 4.1.99.12: 3,4-dihydroxy-2-butanone-4-phosphate synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0008686 3,4-dihydroxy-2-butanone-4-phosphate synthase activity
GO:0016829 lyase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0009231 riboflavin biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ls6, PDBe:3ls6, PDBj:3ls6
PDBsum3ls6
PubMed20806221
UniProtP66032|RIBB_SALTY 3,4-dihydroxy-2-butanone 4-phosphate synthase (Gene Name=ribB)

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