Structure of PDB 2zyu Chain X Binding Site BS02

Receptor Information
>2zyu Chain X (length=289) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVFRRELVDVEGIPLFWSIAEHWSQVESFEARPDDILISTYPKSGTTWVS
EILDLIYNNGDAEKCKRDAIYKRVPFMELIIPGITNGVEMLNNMPSPRIV
KTHLPVQLLPSSFWKNDCKIIYVARNAKDVVVSYYYFYQMAKIHPEPGTW
EEFLEKFMAGQVSFGPWYDHVKSWWEKRKEYRILYLFYEDMKENPKCEIQ
KILKFLEKDIPEEILNKILYHSSFSVMKENPSANYTTMMKEEMDHSVSPF
MRKGISGDWKNQFTVAQYEKFEEDYVKKMEDSTLKFRSE
Ligand information
Ligand ID4NS
InChIInChI=1S/C6H5NO6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,10,11,12)
InChIKeyJBGHTSSFSSUKLR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1[N+](=O)[O-])OS(=O)(=O)O
CACTVS 3.341O[S](=O)(=O)Oc1ccc(cc1)[N+]([O-])=O
ACDLabs 10.04O=S(=O)(Oc1ccc(cc1)[N+]([O-])=O)O
FormulaC6 H5 N O6 S
Name4-nitrophenyl sulfate;
4-nitrophenyl hydrogen sulfate
ChEMBLCHEMBL609695
DrugBank
ZINCZINC000001633996
PDB chain2zyu Chain X Residue 859 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zyu Snapshot of a Michaelis complex in a sulfuryl transfer reaction: Crystal structure of a mouse sulfotransferase, mSULT1D1, complexed with donor substrate and accepter substrate
Resolution1.8 Å
Binding residue
(original residue number in PDB)		L84 T90 F142 I148 M243 E247 M248
Binding residue
(residue number reindexed from 1)		L79 T85 F137 I143 M238 E242 M243
Annotation score1
Enzymatic activity
Enzyme Commision number 2.8.2.-
Gene Ontology
Molecular Function
GO:0004062 aryl sulfotransferase activity
GO:0008146 sulfotransferase activity
GO:0016740 transferase activity
Biological Process
GO:0000103 sulfate assimilation
GO:0006584 catecholamine metabolic process
GO:0006629 lipid metabolic process
GO:0051923 sulfation
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:2zyu, PDBe:2zyu, PDBj:2zyu
PDBsum2zyu
PubMed19344693
UniProtQ3UZZ6|ST1D1_MOUSE Sulfotransferase 1 family member D1 (Gene Name=Sult1d1)

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