Structure of PDB 1iuq Chain A Binding Site BS04

Receptor Information
>1iuq Chain A (length=357) Species: 3662 (Cucurbita moschata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASHSRKFLDVRSEEELLSCIKKETEAGKLPPNVAAGMEELYQNYRNAVIE
SGNPKADEIVLSNMTVALDRILLDVEDPFVFSSHHKAIREPFDYYIFGQN
YIRPLIDFGNSFVGNLSLFKDIEEKLQQGHNVVLISNHQTEADPAIISLL
LEKTNPYIAENTIFVAGDRVLADPLCKPFSIGRNLICVYSKKHMFDIPEL
TETKRKANTRSLKEMALLLRGGSQLIWIAPSGGRDRPDPSTGEWYPAPFD
ASSVDNMRRLIQHSDVPGHLFPLALLCHDIMPPPRVIAFNGAGLSVAPEI
SFEEIAATHKNPEEVREAYSKALFDSVAMQYNVLKTAISGKQGLGASTAD
VSLSQPW
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 chain1iuq Chain A Residue 1005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1iuq Substrate recognition and selectivity of plant glycerol-3-phosphate acyltransferases (GPATs) from Cucurbita moscata and Spinacea oleracea.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		E142 D169 R170 H194
Binding residue
(residue number reindexed from 1)		E141 D168 R169 H193
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) H139 D144
Catalytic site (residue number reindexed from 1) H138 D143
Enzyme Commision number 2.3.1.15: glycerol-3-phosphate 1-O-acyltransferase.
2.3.1.n5: glycerol-3-phosphate acyltransferase (acyl-[acyl-carrier-protein]- transferring).
Gene Ontology
Molecular Function
GO:0004366 glycerol-3-phosphate O-acyltransferase activity
GO:0016746 acyltransferase activity
Biological Process
GO:0006650 glycerophospholipid metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1iuq, PDBe:1iuq, PDBj:1iuq
PDBsum1iuq
PubMed14684887
UniProtP10349|GPAT2_CUCMO Glycerol-3-phosphate acyltransferase ATS12, chloroplastic (Gene Name=ATS1;2)

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