Structure of PDB 6e8y Chain A Binding Site BS01

Receptor Information
>6e8y Chain A (length=344) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASKKVCIVGSGNWGSAIAKIVGGNAAQLAQFDPRVTMWVFEEDILTEIIN
TQHENVKYLPGHKLPPNVVAVPDVVQAAEDADILIFVVPHQFIGKICDQL
KGHLKANATGISLIKGVDEGPNGLKLISEVIGERLGIPMSVLMGANIASE
VADEKFCETTIGCKDPAQGQLLKELMQTPNFRITVVQEVDTVEICGALKN
VVAVGAGFCDGLGFGDNTKAAVIRLGLMEMIAFAKLFCSGPVSSATFLES
CGVADLITTCYGGRNRKVAEAFARTGKSIEQLEKELLNGQKLQGPETARE
LYSILQHKGLVDKFPLFMAVYKVCYEGQPVGEFIHCLQNHPEHM
Ligand information
Ligand ID3SY
InChIInChI=1S/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2
InChIKeyWXZMFSXDPGVJKK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		OCC(CO)(CO)CO
OpenEye OEToolkits 1.7.6C(C(CO)(CO)CO)O
FormulaC5 H12 O4
Name2,2-bis(hydroxymethyl)propane-1,3-diol
ChEMBLCHEMBL3186112
DrugBankDB13526
ZINCZINC000000391843
PDB chain6e8y Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6e8y Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		L131 E134 D195 F242 C243 S244
Binding residue
(residue number reindexed from 1)		L126 E129 D190 F237 C238 S239
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.8: glycerol-3-phosphate dehydrogenase (NAD(+)).
Gene Ontology
Molecular Function
GO:0004368 glycerol-3-phosphate dehydrogenase (quinone) activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0042803 protein homodimerization activity
GO:0047952 glycerol-3-phosphate dehydrogenase [NAD(P)+] activity
GO:0051287 NAD binding
GO:0141152 glycerol-3-phosphate dehydrogenase (NAD+) activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006072 glycerol-3-phosphate metabolic process
GO:0006094 gluconeogenesis
GO:0006116 NADH oxidation
GO:0006127 glycerophosphate shuttle
GO:0006734 NADH metabolic process
GO:0045821 positive regulation of glycolytic process
GO:0046168 glycerol-3-phosphate catabolic process
GO:0046486 glycerolipid metabolic process
GO:0071320 cellular response to cAMP
GO:0071356 cellular response to tumor necrosis factor
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6e8y, PDBe:6e8y, PDBj:6e8y
PDBsum6e8y
PubMed30640445
UniProtP21695|GPDA_HUMAN Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic (Gene Name=GPD1)

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