Structure of PDB 6s21 Chain B Binding Site BS04

Receptor Information

>6s21 Chain B (length=485) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HPNIIYVFPDQYRNQAMGFWNQEGFRDKVNFRGDPVHTPNIDTFARESMV
LTSAQSNCPLSSPHRGMLLTGMYPNRSGVPLNCNSTRPISSLRDDAECIG
DVFSKAGYDCAYFGKLHADFPTPNDPENPGQYVETQRPVWDAYTPKEQRH
GFNYWYSYGTFDEHKNPHYWDTDGKRHDPKEWSPLHESGKVVSYLKNEGN
VRDTKKPFFIMVGMNPPHSPYRSLNDCEEQDFNLYKDQPLDSLLIRPNVD
LNMKKAESVRYYFASVTGVDRAFGQILEALKQLGLDKNTVVIFASDHGET
MCSQRTDDPKNSPYSESMNIPFLVRFPGKIQPRVDDLLLSAPDIMPTVLG
LCGLGDSIPSEVQGRNFAPLFFDEKAEIVRPAGALYIQNLDGEKDKDGLV
QSYFPSSRGIKTARYTLALYIDRKTKQLKKSLLFDDVNDPYQLNNLPLDE
NKEVVEQLYREMGTMLKEIDDPWYTEKILSDRIPY

Ligand information

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

6s21 Chain B Residue 601 [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	6s21 Metabolism of multiple glycosaminoglycans by Bacteroides thetaiotaomicron is orchestrated by a versatile core genetic locus.
Resolution	2.8 Å
Binding residue (original residue number in PDB)	D33 S84 D319 H320
Binding residue (residue number reindexed from 1)	D10 S61 D296 H297
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.6.-

Gene Ontology

	Molecular Function
GO:0004065	arylsulfatase activity
GO:0016787	hydrolase activity

View graph for
Molecular Function

External links

PDB	RCSB:6s21, PDBe:6s21, PDBj:6s21
PDBsum	6s21
PubMed	32005816
UniProt	Q8A2F6\|ENDSF_BACTN Endo-4-O-sulfatase (Gene Name=BT_3349)

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