Structure of PDB 1g58 Chain A Binding Site BS01

Receptor Information
>1g58 Chain A (length=196) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLSSFGTPFERVENALAALREGRGVMVLDNEGDMIFPAETMTVEQMALTI
RHGSGIVCLCITEDRRKQLDLPMMVEGFTVTIEAAEGVTTGVSAADRITT
VRAAIADGAKPSDLNRPGHVFPLRAQAGGVLTRGGHTEATIDLMTLAGFK
PAGVLCELTNDDGTMARAPECIEFANKHNMALVTIEDLVAYRQAHE
Ligand information
Ligand IDAU
InChIInChI=1S/Au/q+1
InChIKeyZBKIUFWVEIBQRT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Au+]
FormulaAu
NameGOLD ION
ChEMBL
DrugBankDB14534
ZINC
PDB chain1g58 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1g58 Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase of riboflavin biosynthesis.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		G41 A185 C188
Binding residue
(residue number reindexed from 1)		G32 A168 C171
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D42 C67 F95 E100 H136 H153 E174
Catalytic site (residue number reindexed from 1) D33 C58 F78 E83 H119 H136 E157
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:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0009231 riboflavin biosynthetic process
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1g58, PDBe:1g58, PDBj:1g58
PDBsum1g58
PubMed11342130
UniProtP0A7J0|RIBB_ECOLI 3,4-dihydroxy-2-butanone 4-phosphate synthase (Gene Name=ribB)

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