Structure of PDB 6s20 Chain C Binding Site BS02

Receptor Information
>6s20 Chain C (length=480) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQKPNIIYIFADDLGIGDLSCYGATKVSTPHIDRLAGQGVQFTNAYATSA
TSTPSRFGLLTGMYPWRQENTGIAPGNSELIIDTACVTMADMLKEAGYAT
GVVGKWHLGLGPKGGTDFNGHITPNAQSIGFDYEFVIPATVDRVPCVFVE
NGHVVGLDPNDPITVNYEHKVGDWPTGEENPELVKLKPSQGHNNTIINGI
PRIGWMTGGKSALWKDEDIADIITNKAKSFIVSHKEEPFFLYMGTQDVHV
PRVPHPRFAGKSGLGTRGDVILQLDWTIGEIMNTLDSLQLTDNTILIFTS
DNGPVIDDGYQDQAFERLNGHTPMGIYRGGKYSAYEAGTRIPFIVRWPAK
VKPNKQQALFSQIDIFASLAALLKQPLPEDAAPDSQEHLNTLLGKDYTSR
EYIVQQNLNNTLAIVKGQWKYIEPSDAPAIEYWTKMELGNDRHPQLYDLS
ADPSEKNNVAKQHPEVVRELSELLESVKTR
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 chain6s20 Chain C Residue 603 [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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PDB6s20 Metabolism of multiple glycosaminoglycans by Bacteroides thetaiotaomicron is orchestrated by a versatile core genetic locus.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		D43 D44 D332 N333
Binding residue
(residue number reindexed from 1)		D12 D13 D301 N302
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D43 D44 S83 R87 K136 H138 T171 H280 D332 N333 K362
Catalytic site (residue number reindexed from 1) D12 D13 S52 R56 K105 H107 T140 H249 D301 N302 K331
Enzyme Commision number 3.1.6.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:6s20, PDBe:6s20, PDBj:6s20
PDBsum6s20
PubMed32005816
UniProtQ8A2H2|GALSF_BACTN N-acetylgalactosamine-6-O-sulfatase (Gene Name=BT_3333)

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