Structure of PDB 2r46 Chain A Binding Site BS01

Receptor Information
>2r46 Chain A (length=495) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
METKDLIVIGGGINGAGIAADAAGRGLSVLMLEAQDLACATSSASSKLIH
GGLRYLEHYEFRLVSEALAEREVLLKMAPHIAFPMRFRLPHRPHLRPAWM
IRIGLFMYDHLGKRTSLPGSTGLRFGANSVLKPEIKRGFEYSDCWVDDAR
LVLANAQMVVRKGGEVLTRTRATSARRENGLWIVEAEDIDTGKKYSWQAR
GLVNATGPWVKQFFDDGMHLPSPYGIRLIKGSHIVVPRVHTQKQAYILQN
EDKRIVFVIPWMDEFSIIGTTDVEYKGDPKAVKIEESEINYLLNVYNTHF
KKQLSRDDIVWTYSGVRPLCDDESDSPQAITRDYTLDIHDENGKAPLLSV
FGGKLTTYRKLAEHALEKLTPYYQGIGPAWTKESVLPGGAIEGDRDDYAA
RLRRRYPFLTESLARHYARTYGSNSELLLGNAGTVSDLGEDFGHEFYEAE
LKYLVDHEWVRRADDALWRRTKQGMWLNADQQSRVSQWLVEYTQQ
Ligand information
Ligand IDT3A
InChIInChI=1S/C7H17NO6S/c9-4-7(5-10,6-11)8-2-1-3-15(12,13)14/h8-11H,1-6H2,(H,12,13,14)
InChIKeyYNLCVAQJIKOXER-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CNC(CO)(CO)CO)CS(=O)(=O)O
CACTVS 3.341OCC(CO)(CO)NCCC[S](O)(=O)=O
ACDLabs 10.04O=S(=O)(O)CCCNC(CO)(CO)CO
FormulaC7 H17 N O6 S
NameN-(TRIS(HYDROXYMETHYL)METHYL)-3-AMINOPROPANESULFONIC ACID
ChEMBL
DrugBank
ZINCZINC000001611594
PDB chain2r46 Chain A Residue 7066 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2r46 Structure of glycerol-3-phosphate dehydrogenase, an essential monotopic membrane enzyme involved in respiration and metabolism
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Q157 V455 D456 H457 W459
Binding residue
(residue number reindexed from 1)		Q157 V455 D456 H457 W459
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.5.3: glycerol-3-phosphate dehydrogenase.
Gene Ontology
Molecular Function
GO:0004368 glycerol-3-phosphate dehydrogenase (quinone) activity
GO:0005515 protein binding
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0042803 protein homodimerization activity
GO:0071949 FAD binding
Biological Process
GO:0006071 glycerol metabolic process
GO:0006072 glycerol-3-phosphate metabolic process
GO:0006796 phosphate-containing compound metabolic process
GO:0009060 aerobic respiration
GO:0009061 anaerobic respiration
GO:0019563 glycerol catabolic process
GO:0019637 organophosphate metabolic process
GO:0046168 glycerol-3-phosphate catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0009331 glycerol-3-phosphate dehydrogenase (FAD) complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2r46, PDBe:2r46, PDBj:2r46
PDBsum2r46
PubMed18296637
UniProtP13035|GLPD_ECOLI Aerobic glycerol-3-phosphate dehydrogenase (Gene Name=glpD)

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