Structure of PDB 8k9y Chain A Binding Site BS01

Receptor Information
>8k9y 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]
TEFEKTQKKYQDFIATLPKSKGWRPDEILTQYGGHWWQECLLEGLFHAKD
HFEARPTDFLVCSYPKTGTTWLKALTYAIVNRSRYDDAANPLLKRNPHEF
VPYVEIDFAFYPTVDVLQDRKNPLFSTHIPNGLLPDSIVNSGCKMVYIWR
DPKDTFISMWTFLHKEKSQEGQLASLEDSFDMFCKGLSVYGPYLDHVLGY
WKAYQENPDRILFLRYETMRANPLPFVKRLAEFMGYGFTDEEEENGVAEK
VVKLCSFETLKNLEANKGDKEREDRPAVYANSAYFRKGKVGDWANYLTPE
MAARIDGLVEEKFKDTGLLQHD
Ligand information
Ligand IDA3P
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
InChIKeyWHTCPDAXWFLDIH-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H]3O
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
FormulaC10 H15 N5 O10 P2
NameADENOSINE-3'-5'-DIPHOSPHATE
ChEMBLCHEMBL574817
DrugBankDB01812
ZINCZINC000004228234
PDB chain8k9y Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8k9y Crystal structure of Arabidopsis thaliana sulfotransferase SOT16 involved in glucosinolate biosynthesis.
Resolution1.82 Å
Binding residue
(original residue number in PDB)		K81 G83 T84 T85 W86 R165 S173 Y231 F272 Y299 F300 R301 K302 G303
Binding residue
(residue number reindexed from 1)		K66 G68 T69 T70 W71 R150 S158 Y216 F257 Y284 F285 R286 K287 G288
Annotation score5
Enzymatic activity
Enzyme Commision number 2.8.2.24: aromatic desulfoglucosinolate sulfotransferase.
Gene Ontology
Molecular Function
GO:0008146 sulfotransferase activity
GO:0016740 transferase activity
GO:0047364 desulfoglucosinolate sulfotransferase activity
Biological Process
GO:0019761 glucosinolate biosynthetic process
GO:0032260 response to jasmonic acid stimulus involved in jasmonic acid and ethylene-dependent systemic resistance
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8k9y, PDBe:8k9y, PDBj:8k9y
PDBsum8k9y
PubMed37586213
UniProtQ9C9D0|SOT16_ARATH Cytosolic sulfotransferase 16 (Gene Name=SOT16)

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