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Structure of PDB 3u3k Chain A Binding Site BS02

Receptor Information >3u3k Chain A (length=289) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] TSRPPLEYVKGVPLIKYFAEALGPLQSFQARPDDLLISTYPKSGTTWVSQ ILDMIYQGGDLEKCHRAPIFMRVPFLEFKAPGIPSGMETLKDTPAPRLLK THLPLALLPQTLLDQKVKVVYVARNAKDVAVSYYHFYHMAKVHPEPGTWD SFLEKFMVGEVSYGSWYQHVQEWWELSRTHPVLYLFYEDMKENPKREIQK ILEFVGHSLPEETVDFMVQHTSFKEMKKNPMTNYTTVPQEFMDHSISPFM RKGMAGDWKTTFTVAQNERFDADYAEKMAGCSLSFRSEL

Ligand information Ligand ID 03V InChI InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H InChIKey JWAZRIHNYRIHIV-UHFFFAOYSA-N SMILES Software SMILES OpenEye OEToolkits 1.7.2 c1ccc2cc(ccc2c1)O CACTVS 3.370 Oc1ccc2ccccc2c1 ACDLabs 12.01 Oc2ccc1c(cccc1)c2 Formula C10 H8 O Name naphthalen-2-ol; 2-Naphtol ChEMBL CHEMBL14126 DrugBank ZINC ZINC000000967928 PDB chain 3u3k Chain A Residue 2002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 3u3k The molecular basis for the broad substrate specificity of human sulfotransferase 1A1. Resolution 2.36 Å Binding residue (original residue number in PDB) I21 F24 F81 K106 H108 F142 V148 H149 F247 M248 Binding residue (residue number reindexed from 1) I15 F18 F75 K100 H102 F136 V142 H143 F241 M242 Annotation score 1

Enzymatic activity Catalytic site (original residue number in PDB) K48 H108 S138 Catalytic site (residue number reindexed from 1) K42 H102 S132 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:0047894 flavonol 3-sulfotransferase activity GO:0050294 steroid sulfotransferase activity GO:0050656 3'-phosphoadenosine 5'-phosphosulfate binding

	Biological Process
GO:0006068	ethanol catabolic process
GO:0006584	catecholamine metabolic process
GO:0006805	xenobiotic metabolic process
GO:0008202	steroid metabolic process
GO:0008210	estrogen metabolic process
GO:0009308	amine metabolic process
GO:0009812	flavonoid metabolic process
GO:0050427	3'-phosphoadenosine 5'-phosphosulfate metabolic process
GO:0051923	sulfation

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

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