Structure of PDB 7an1 Chain AAA Binding Site BS02

Receptor Information
>7an1 Chain AAA (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]
NTKPNILFILCDDMGYGDLGCYGQPFIRTPHLDAMASEGMRFTQAYAGSP
VSAPSRASFMTGQHTGHCEVRGNKEYWTNAPTVMYGNNKEYAVVGQHPYD
PDHVILPEIMKENGYTTGMFGKWAGGYEGSCSTPDKRGIDEYFGYICQFQ
AHLYYPNFLNRYSKALGDTGVVRVIMDENIKYPMYGADYQKRPQYSADMI
HQKAMEWLDEQDGKQPFFGVLTYTLPHAELVQPEDSILNEYKEKFNPDKS
YKGSEGSRYNAITHVHAQFAGMITRLDYYVGEVLKKLKEKGLDENTLVIF
SSDNGPHEEGGADPTFFGRDGKLRGLKRQCYEGGIRIPFIARWPGRVPAG
TVNDHICAFYDLMPTFCEIIGEKNYVKKYANKDKEVDYFDGISFAPTLLG
KKKQKEHDFLYWEFNETNQIGVRMGDWKMVVKKGIPFLYNLATDIHEDNN
VADQHPEIVEKMKAVIFAQHTPNPHFSVTLPEK
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 chain7an1 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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PDB7an1 A single sulfatase is required to access colonic mucin by a gut bacterium.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D37 D38 S77 D328 N329
Binding residue
(residue number reindexed from 1)		D12 D13 S52 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:7an1, PDBe:7an1, PDBj:7an1
PDBsum7an1
PubMed34616040
UniProtQ8A789

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