Structure of PDB 1txg Chain A Binding Site BS01

Receptor Information
>1txg Chain A (length=335) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIVSILGAGAMGSALSVPLVDNGNEVRIWGTEFDTEILKSISAGREHPRL
GVKLNGVEIFWPEQLEKCLENAEVVLLGVSTDGVLPVMSRILPYLKDQYI
VLISKGLIDFDNSVLTVPEAVWRLKHDLRERTVAITGPAIAREVAKRMPT
TVVFSSPSESSANKMKEIFETEYFGVEVTTDIIGTEITSALKNVYSIAIA
WIRGYESRKNVEMSNAKGVIATRAINEMAELIEILGGDRETAFGLSGFGD
LIATFRGGRNGMLGELLGKGLSIDEAMEELERRGVGVVEGYKTAEKAYRL
SSKINADTKLLDSIYRVLYEGLKVEEVLFELATFK
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain1txg Chain A Residue 1009 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1txg Structural and functional analysis of the gpsA gene product of Archaeoglobus fulgidus: A glycerol-3-phosphate dehydrogenase with an unusual NADP+ preference
Resolution1.7 Å
Binding residue
(original residue number in PDB)		R203 K217 F255
Binding residue
(residue number reindexed from 1)		R203 K217 F255
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) K192 T254
Catalytic site (residue number reindexed from 1) K192 T254
Enzyme Commision number 1.1.1.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0051287 NAD binding
GO:0141153 glycerol-3-phosphate dehydrogenase (NADP+) activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006072 glycerol-3-phosphate metabolic process
GO:0006650 glycerophospholipid metabolic process
GO:0046167 glycerol-3-phosphate biosynthetic process
GO:0046168 glycerol-3-phosphate catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1txg, PDBe:1txg, PDBj:1txg
PDBsum1txg
PubMed15557260
UniProtO29390|GPDA_ARCFU NADP(+)-dependent glycerol-3-phosphate dehydrogenase (Gene Name=gpsA)

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