Structure of PDB 5nlm Chain B Binding Site BS01

Receptor Information
>5nlm Chain B (length=448) Species: 96455 (Persicaria tinctoria) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTTAPPPHVIIVPSAGMGHLIPLAEFAKRLLPRFTFTFAVPTSGPPSSSQ
RDFLSSLPASIDTSFLPEVDLSDAPSDAQIETLMSLMVVRSLPSLRDLIA
SYSASGRRVAALVVDLFATDAIDVALELGIRPFIFFPSTAMTLSFFLHLE
KLDETVSCEFAEPVQIPGCIPVHGKDLIDPVQDRKNDAYKWLLHHSKRYK
LAEGVIVNSFEGLEGGPIRELLHPEPGKPRVYPVGPLIQAARPECLKWLD
QQPRGSVLFVNFGSGGVLSTEQQNELAGVLAHSQQRFLWVVRPPNDGIAN
DPLKLLPEGFLEQTAGRGLVLPMWAPQIDVLSHESTGGFLTHCGWNSTLE
SVFHGVPLITWPLYAEQKMNAVMLTEGLRVGLRPSVGKDGIIRGAEIARV
IGELMEGEEGKRIRSKMQELKRAASAVLSKDGSSTRALEEVAKIWESK
Ligand information
Ligand IDIOS
InChIInChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
InChIKeyBXFFHSIDQOFMLE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)Oc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O
CACTVS 3.341O[S](=O)(=O)Oc1c[nH]c2ccccc12
FormulaC8 H7 N O4 S
Name3-SULFOOXY-1H-INDOLE
ChEMBLCHEMBL1233636
DrugBankDB07992
ZINCZINC000001997119
PDB chain5nlm Chain B Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5nlm Employing a biochemical protecting group for a sustainable indigo dyeing strategy.
Resolution2.14 Å
Binding residue
(original residue number in PDB)		E88 L123 F124
Binding residue
(residue number reindexed from 1)		E81 L116 F117
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5nlm, PDBe:5nlm, PDBj:5nlm
PDBsum5nlm
PubMed29309053
UniProtA0A2R2JFJ4

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