Structure of PDB 6e90 Chain D Binding Site BS01

Receptor Information
>6e90 Chain D (length=336) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASKKVCIVGSGNWGSAIAKIVGGNAAQLAQFDPRVTMWVFEELTEIINHE
NVKYLPGHKLPPNVVAVPDVVQAAEDADILIFVVPHQFIGKICDQLKGHL
KANATGISLIKGVDEGPLKLISEVIGERLGIPMSVLMGANIASEVADEKF
CETTIGCKDPAQGQLLKELMQTPNFRITVVQEVDTVEICGALKNVVAVGA
GFCDGLGFGDNTKAAVIRLGLMEMIAFAKLFCSGPVSSATFLESCGVADL
ITTCYGGRNRKVAEAFARTGKSIEQLEKELLNGQKLQGPETARELYSILQ
HKGLVDKFPLFMAVYKVCYEGQPVGEFIHCLQNHPE
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 chain6e90 Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6e90 Human Glycerol 3-Phosphate Dehydrogenase: X-ray Crystal Structures That Guide the Interpretation of Mutagenesis Studies.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		E134 D195 F242 C243
Binding residue
(residue number reindexed from 1)		E123 D184 F231 C232
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:6e90, PDBe:6e90, PDBj:6e90
PDBsum6e90
PubMed30640445
UniProtP21695|GPDA_HUMAN Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic (Gene Name=GPD1)

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