Structure of PDB 2r4j Chain B Binding Site BS01

Receptor Information
>2r4j Chain B (length=497) Species: 83333 (Escherichia coli K-12) [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
LKYLVDHEWVRRADDALWRRTKQGMWLNADQQSRVSQWLVEYTQQRL
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 chain2r4j Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2r4j Structure of glycerol-3-phosphate dehydrogenase, an essential monotopic membrane enzyme involved in respiration and metabolism.
Resolution1.96 Å
Binding residue
(original residue number in PDB)		Y398 R401 R405
Binding residue
(residue number reindexed from 1)		Y398 R401 R405
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

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2r4j, PDBe:2r4j, PDBj:2r4j
PDBsum2r4j
PubMed18296637
UniProtP13035|GLPD_ECOLI Aerobic glycerol-3-phosphate dehydrogenase (Gene Name=glpD)

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