Structure of PDB 6t2n Chain BBB Binding Site BS01

Receptor Information
>6t2n Chain BBB (length=278) Species: 239935 (Akkermansia muciniphila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPRTLPGGWVYVWGDEFNGSRIDAKKWKPELGVIRNQGSQQTYTGRPKNM
RLEDGCLVLETHFEKFANVNYKKSSADWIKNTKFMPYTSGSVTTIKTKNF
MFGRLEVRAKVPKTKGIWPAIWLLGKNKWGWPVNGEIDMLENISQQPDVV
YSTFHLSPDGVSTRDASRGGTVKIENLSDDFHTYVMEWDKDSIKLMVDDK
LVKSIDLNTTNYANGAGNPFRTPFYLILNSAVGGTWCEKAPKDGQGYPVK
FLIDYVRFYQTKEHAQQAKQFDPETGLP
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 chain6t2n Chain BBB Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6t2n Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		E25 G64 D263
Binding residue
(residue number reindexed from 1)		E16 G55 D254
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6t2n, PDBe:6t2n, PDBj:6t2n
PDBsum6t2n
PubMed32782292
UniProtA0A2N8IRP0

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