Structure of PDB 8frb Chain D Binding Site BS01

Receptor Information
>8frb Chain D (length=369) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YNLICYFTNWAQYRPGLGSFKPDDINPCLCTHLIYAFAGMQNNEITTIEW
NDVTLYKAFNDLKNRNSKLKTLLAIGGWNFGTAPFTTMVSTSQNRQTFIT
SVIKFLRQYGFDGLDLDWEYPGSRGSPPQDKHLFTVLVKEMREAFEQEAI
ESNRPRLMVTAAVAGGISNIQAGYEIPELSKYLDFIHVMTYDLHGSWEGY
TGENSPLYKYPTETGSNAYLNVDYVMNYWKNNGAPAEKLIVGFPEYGHTF
ILRNPSDNGIGAPTSGDGPAGPYTRQAGFWAYYEICTFLRSGATEVWDAS
QEVPYAYKANEWLGYDNIKSFSVKAQWLKQNNFGGAMIWAIDLDDFTGSF
CDQGKFPLTSTLNKALGIS
Ligand information
Ligand IDHSQ
InChIInChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6+,7+,8+/m0/s1
InChIKeyOVRNDRQMDRJTHS-SLBCVNJHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1O)CO)O)O
CACTVS 3.370CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
ACDLabs 12.01O=C(NC1C(O)C(O)C(OC1O)CO)C
CACTVS 3.370CC(=O)N[C@H]1[C@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.0CC(=O)NC1C(C(C(OC1O)CO)O)O
FormulaC8 H15 N O6
Name2-acetylamino-2-deoxy-alpha-L-idopyranose;
N-acetyl-alpha-L-idosamine;
2-acetylamino-2-deoxy-alpha-L-idose;
2-acetylamino-2-deoxy-L-idose;
2-acetylamino-2-deoxy-idose;
2-(acetylamino)-2-deoxy-alpha-L-idopyranose
ChEMBL
DrugBank
ZINCZINC000008551466
PDB chain8frb Chain L Residue 1 [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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PDB8frb Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		G187 D213 W218
Binding residue
(residue number reindexed from 1)		G166 D192 W197
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.14: chitinase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008061 chitin binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8frb, PDBe:8frb, PDBj:8frb
PDBsum8frb
PubMed37398339
UniProtQ91XA9|CHIA_MOUSE Acidic mammalian chitinase (Gene Name=Chia)

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