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Receptor Information

>7oz9 Chain BBB (length=483) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ERPNIIVFLVDDMGLMDTSVPFIADESGQPVRHPLNDWYHTPNMERLAKQ
GICFSTFYAQSVSSPSRASIMTGQNATRHGVTNWINAESNNRNPFGPPQW
NWKGLRKDMPTMPRVLQQAGYKTIHVGKAHFGCMGSEGENPLNIGFDVNI
AGSGIGHPGSYYGEWGYGHIKGQKIRAVPDLEKYHGTDTFLSEALTIEAN
REITKAVEEKRPFYLNMAHYAVHSPFQADKRFLSRYTDPDKNEQARAFAT
LIEGMDKSLGDIMDQLEKLGIAENTLILFLGDNGGDAPLGDERGYGSSAP
LRGKKGTEFEGGMRVPFIAAWAKPEKKSKVQKNLPIEVGSMQTQLGTIMD
IYPTVLSVAGCEVPQNYVIDGFDLKKQLSGKVDKKRPESFLMHFPHAHRG
SYFTTYRMGDWKLIYYYLPETPKQPKALLYNLKDDPEERNELSAAHPDQC
REMIREMSARLEKEGALYPVDKQGNELKPFVYF

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

7oz9 Chain BBB Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7oz9 Sulfated glycan recognition by carbohydrate sulfatases of the human gut microbiota.
Resolution	1.907 Å
Binding residue (original residue number in PDB)	D36 D37 S88 D307 N308
Binding residue (residue number reindexed from 1)	D11 D12 S63 D282 N283
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0004065	arylsulfatase activity
GO:0016491	oxidoreductase activity
GO:0016787	hydrolase activity
GO:0046872	metal ion binding

PDB	RCSB:7oz9, PDBe:7oz9, PDBj:7oz9
PDBsum	7oz9
PubMed	35710619
UniProt	Q8A397

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Structure of PDB 7oz9 Chain BBB Binding Site BS03