Structure of PDB 6u7j Chain D Binding Site BS01

Receptor Information
>6u7j Chain D (length=569) Species: 59620 (uncultured Clostridium sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DMLFPVDNEARQIKELNGIWKFKRDNYYKQGFEEKWFEKPLEDVIDMPVP
SSYNDITTDQELRDHVGWVWYERKFAVPRLWKDQRLVLRFGSVTHHAVIY
LNGKEITRHKGGFLPFEADVTEMANEGENRLTVAVGNILEWDCLPVGHIE
YMEQKFDFDFFNYSGIHRPVRLYCTPKEYIEDISVRTTVDDKDGMVHYEI
KTNAEEKFIKVYIRDEKNQVVAESNEMKDMVLVKDAQLWQPGSAYLYKLD
IYFGQDHYTLPFGIRTIQLTEKQFLINGKPFYFKGFGKHEDSDIRGKGLD
EALNVRDCELLKWIGANSFRTSHYPYAEEMMQMADQKGIVVIDEVPAVGM
NFGIFTEDKVNEKTLAYHKQVLKELYQRDKNHPCVVMWSITNEPHSSEEA
SRNYFEEVTKYIRKLDSERPITGTMNVDVEEDKISQFFDVVCINRYFGWY
VGAGKIERIYPSLKTDLIKWHEKYGKPVIVTEYGADTIAGLHKLPEVIFS
EEYQKRCIEENNKAMDECDFVIGEHIWAFADFMTAFGLKRVDGNKKGIFT
RERQPKTAAFAIRERWRKM
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6u7j Chain D Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6u7j Gut microbial beta-glucuronidases reactivate estrogens as components of the estrobolome that reactivate estrogens.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E346 E347
Binding residue
(residue number reindexed from 1)		E328 E329
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.31: beta-glucuronidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0004565 beta-galactosidase activity
GO:0004566 beta-glucuronidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6u7j, PDBe:6u7j, PDBj:6u7j
PDBsum6u7j
PubMed31636122
UniProtA0A1C5YG41

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