Structure of PDB 2a3r Chain A Binding Site BS02

Receptor Information
>2a3r Chain A (length=287) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPPLEYVKGVPLIKYFAEALGPLQSFQARPDDLLINTYPKSGTTWVSQIL
DMIYQGGDLEKCNRAPIYVRVPFLEVNDPGEPSGLETLKDTPPPRLIKSH
LPLALLPQTLLDQKVKVVYVARNPKDVAVSYYHFHRMEKAHPEPGTWDSF
LEKFMAGEVSYGSWYQHVQEWWELSRTHPVLYLFYEDMKENPKREIQKIL
EFVGRSLPEETMDFMVQHTSFKEMKKNPMTNYTTVPQELMDHSISPFMRK
GMAGDWKTTFTVAQNERFDADYAEKMAGCSLSFRSEL
Ligand information
Ligand IDLDP
InChIInChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
InChIKeyVYFYYTLLBUKUHU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCCc1ccc(O)c(O)c1
OpenEye OEToolkits 1.5.0c1cc(c(cc1CCN)O)O
ACDLabs 10.04Oc1ccc(cc1O)CCN
FormulaC8 H11 N O2
NameL-DOPAMINE;
DOPAMINE
ChEMBLCHEMBL59
DrugBankDB00988
ZINCZINC000000033882
PDB chain2a3r Chain A Residue 297 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2a3r Crystal structure of human sulfotransferase SULT1A3 in complex with dopamine and 3'-phosphoadenosine 5'-phosphate
Resolution2.6 Å
Binding residue
(original residue number in PDB)		F24 P47 F81 D86 K106 H108 F142 E146 H149
Binding residue
(residue number reindexed from 1)		F16 P39 F73 D78 K98 H100 F134 E138 H141
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K48 H108 S138
Catalytic site (residue number reindexed from 1) K40 H100 S130
Enzyme Commision number 2.8.2.1: aryl sulfotransferase.
Gene Ontology
Molecular Function
GO:0004062 aryl sulfotransferase activity
GO:0005515 protein binding
GO:0008146 sulfotransferase activity
GO:0016740 transferase activity
GO:0043199 sulfate binding
GO:0047685 amine sulfotransferase activity
Biological Process
GO:0006068 ethanol catabolic process
GO:0006584 catecholamine metabolic process
GO:0006805 xenobiotic metabolic process
GO:0008202 steroid metabolic process
GO:0009812 flavonoid metabolic process
GO:0042417 dopamine metabolic process
GO:0042420 dopamine catabolic process
GO:0050427 3'-phosphoadenosine 5'-phosphosulfate metabolic process
GO:0051923 sulfation
GO:1903351 cellular response to dopamine
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:2a3r, PDBe:2a3r, PDBj:2a3r
PDBsum2a3r
PubMed16083857
UniProtP0DMM9|ST1A3_HUMAN Sulfotransferase 1A3 (Gene Name=SULT1A3)

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