Structure of PDB 7ana Chain BBB Binding Site BS01

Receptor Information
>7ana Chain BBB (length=475) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPNVIYILMDDLGYGDIGCFGQDKIETPHIDRLCSEGIKLTQHYSGSPVS
APARCVLMTGMHSGHAQIRFNNELAERGAVNNYDSVYVHKELEGQFPLQA
NTMTIGRMMQQAGYTTGCFGKWGLGYPGSEGTPNKQGFDRFYGYNCQRQS
HTYYPPFLYNDEERVYLSNKVTDPHRSPLDKGADPNDPASYAKYTQKEYA
NDLIFDELMGFVDANKRKPFFLMWTTPLPHVSLQAPERWVQHYVKKFGDE
KPYTGQAGYLPCRYPHATYAAMISYFDEQIGQLIEKLKAEHLYENTLIVF
TSDNGPTFNGGSDSPWFNSGGLFNSAYGWGKCFLHEGGIRVPAIITWPGK
IKPGTQSDHICAFQDVMPTLAELAGITCPPTDGISFLPTLLGKKGKQKEH
TYLYWEYPDPRIGNKAIRMGKWKGIITDIRKGNTQMQLYNLETDIREEHD
VAAQHPDIVKRFERLMKEARNGPDF
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 chain7ana Chain BBB Residue 604 [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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PDB7ana A single sulfatase is required to access colonic mucin by a gut bacterium.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D35 D36 S75 D328 N329
Binding residue
(residue number reindexed from 1)		D10 D11 S50 D303 N304
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7ana, PDBe:7ana, PDBj:7ana
PDBsum7ana
PubMed34616040
UniProtQ8A7A3

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