Structure of PDB 7kr6 Chain BBB Binding Site BS02

Receptor Information
>7kr6 Chain BBB (length=236) Species: 28116 (Bacteroides ovatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ILFKDDFNFFDEKVWTKETHEPGWTNQELQAYDAAHVSVGKDGDKSVLIL
TAERKGNKIYSGRINSKGKKSFKYRKIEASIKLPKTNGGLWPAFWMMGDN
DKQWPACGEIDIMAMGEQSGMAGDSEKQVNTAIHYGPSAAAHEQQYYKAN
VANSLQDGNYHTYSLDWDENNLTISIDNVKFHTFDISSNTYFHDNFYILF
NLAVGGAFTGITDINKLTGLKDGQKVNMYIDWVKIL
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain7kr6 Chain BaB Residue 2 [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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PDB7kr6 Orthogonal Active-Site Labels for Mixed-Linkage endo-beta-Glucanases.
Resolution1.56 Å
Binding residue
(original residue number in PDB)		N60 M131 W138
Binding residue
(residue number reindexed from 1)		N26 M97 W104
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016787 hydrolase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7kr6, PDBe:7kr6, PDBj:7kr6
PDBsum7kr6
PubMed33988963
UniProtA0A1Y4PXW9

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