Structure of PDB 7all Chain AAA Binding Site BS02

Receptor Information
>7all Chain AAA (length=498) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPPNIVLILCDDMGFSDLGCYGSEIQTPNIDRLAENGVRFSLFKNTGRCC
PSRAALLTGHYQHEAGMGWMTAVDEHRPGYRGQITKNIPTIAEVMKANGY
STYMSGKWHVTVDGAFDTPNGSYPAQRGFDKYYGCLSGGGSYYKPTPVYS
NLTRIKEFPDDYYYTTAITDSAVSFVKQHPTDKPMFMYVAHYAPHLPLQA
PADRVEKCRDRYKVGYDMLRKQRFDRLKELKFISDEMDYPVYQKEFDGKR
PSWETLTPKQQEQWITDMATYAAMIEIVDSGIGELVETIKEKGMLDNTVF
IFLSDNGATKEGGYLGQLMADLSNTPYRSYKSQCFQGGTSTPFILSYGDA
EKNKMKGQICRQPAHIIDILPTCMDIATATYPSEFKENLPGKSLLPPIHG
KKIKPRELYFEHQSSCAIISNHWKLVRGSRNEPWELIDLSADPFETKDLS
AQYPKLVKKLEAKWNKWAKQCNVFPLENKPWTERINYYLKQNPDQSGI
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 chain7all Chain AAA Residue 601 [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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PDB7all A single sulfatase is required to access colonic mucin by a gut bacterium.
Resolution1.63 Å
Binding residue
(original residue number in PDB)		D35 D36 C73 D329 N330
Binding residue
(residue number reindexed from 1)		D11 D12 C49 D305 N306
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004065 arylsulfatase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7all, PDBe:7all, PDBj:7all
PDBsum7all
PubMed34616040
UniProtQ89YP8

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