Structure of PDB 2r45 Chain A Binding Site BS07

Receptor Information
>2r45 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 ID2PG
InChIInChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChIKeyGXIURPTVHJPJLF-UWTATZPHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(=O)O)OP(=O)(O)O)O
ACDLabs 10.04O=P(O)(O)OC(C(=O)O)CO
OpenEye OEToolkits 1.5.0C([C@H](C(=O)O)OP(=O)(O)O)O
CACTVS 3.341OC[C@@H](O[P](O)(O)=O)C(O)=O
CACTVS 3.341OC[CH](O[P](O)(O)=O)C(O)=O
FormulaC3 H7 O7 P
Name2-PHOSPHOGLYCERIC ACID
ChEMBL
DrugBankDB01709
ZINCZINC000003869232
PDB chain2r45 Chain A Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2r45 Structure of glycerol-3-phosphate dehydrogenase, an essential monotopic membrane enzyme involved in respiration and metabolism
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R54 Y55 R254 I255 T270 R317 R332
Binding residue
(residue number reindexed from 1)		R54 Y55 R254 I255 T270 R317 R332
Annotation score2
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
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Biological Process
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Cellular Component
External links
PDB RCSB:2r45, PDBe:2r45, PDBj:2r45
PDBsum2r45
PubMed18296637
UniProtP13035|GLPD_ECOLI Aerobic glycerol-3-phosphate dehydrogenase (Gene Name=glpD)

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