Structure of PDB 5mek Chain A Binding Site BS02

Receptor Information
>5mek Chain A (length=322) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESTEFEKNQKRYQDLISTFPHEKGWRPKEPLIEYGGYWWLPSLLEGCIHA
QEFFQARPSDFLVCSYPKTGTTWLKALTFAIANRSRFDDSSNPLLKRNPH
EFVPYIEIDFPFFPEVDVLKDKGNTLFSTHIPYELLPDSVVKSGCKMVYI
WREPKDTFISMWTFLHKERTELGPVSNLEESFDMFCRGLSGYGPYLNHIL
AYWKAYQENPDRILFLKYETMRADPLPYVKSLAEFMGHGFTAEEEEKGVV
EKVVNLCSFETLKNLEANKGEKDREDRPGVYANSAYFRKGKVGDWSNYLT
PEMAARIDGLMEEKFKGTGLLE
Ligand information
Ligand IDPOL
InChIInChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
InChIKeyBDERNNFJNOPAEC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCO
ACDLabs 10.04OCCC
FormulaC3 H8 O
NameN-PROPANOL;
1-PROPONOL
ChEMBLCHEMBL14687
DrugBankDB03175
ZINCZINC000000895969
PDB chain5mek Chain A Residue 424 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5mek Structural and biochemical studies of sulphotransferase 18 from Arabidopsis thaliana explain its substrate specificity and reaction mechanism.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		F138 P139 E140
Binding residue
(residue number reindexed from 1)		F113 P114 E115
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K93 H155 S185
Catalytic site (residue number reindexed from 1) K68 H130 S160
Enzyme Commision number 2.8.2.38: aliphatic desulfoglucosinolate sulfotransferase.
Gene Ontology
Molecular Function
GO:0008146 sulfotransferase activity
GO:0016740 transferase activity
GO:0047364 desulfoglucosinolate sulfotransferase activity
GO:0080066 3-methylthiopropyl-desulfoglucosinolate sulfotransferase activity
GO:0080067 4-methylthiobutyl-desulfoglucosinolate sulfotransferase activity
GO:0080068 5-methylthiopentyl-desulfoglucosinolate sulfotransferase activity
GO:0080069 7-methylthioheptyl-desulfoglucosinolate sulfotransferase activity
GO:0080070 8-methylthiooctyl-desulfoglucosinolate sulfotransferase activity
GO:0080071 indol-3-yl-methyl-desulfoglucosinolate sulfotransferase activity
Biological Process
GO:0019761 glucosinolate biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5mek, PDBe:5mek, PDBj:5mek
PDBsum5mek
PubMed28646214
UniProtQ9C9C9|SOT18_ARATH Cytosolic sulfotransferase 18 (Gene Name=SOT18)

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