Structure of PDB 1e9l Chain A Binding Site BS01

Receptor Information
>1e9l Chain A (length=372) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YQLMCYYTSWAKDRPIEGSFKPGNIDPCLCTHLIYAFAGMQNNEITYTHE
QDLRDYEALNGLKDKNTELKTLLAIGGWKFGPAPFSAMVSTPQNRQIFIQ
SVIRFLRQYNFDGLNLDWQYPGSRGSPPKDKHLFSVLVKEMRKAFEEESV
EKDIPRLLLTSTGAGIIDVIKSGYKIPELSQSLDYIQVMTYDLHDPKDGY
TGENSPLYKSPYDIGKSADLNVDSIISYWKDHGAASEKLIVGFPAYGHTF
ILSDPSKTGIGAPTISTGPPGKYTDESGLLAYYEVCTFLNEGATEVWDAP
QEVPYAYQGNEWVGYDNVRSFKLKAQWLKDNNLGGAVVWPLDMDDFSGSF
CHQRHFPLTSTLKGDLNIHSAS
Ligand information
Ligand IDGCS
InChIInChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1
InChIKeyMSWZFWKMSRAUBD-QZABAPFNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O
CACTVS 3.341N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)N)O)O)O
CACTVS 3.341N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1N)CO
FormulaC6 H13 N O5
Name2-amino-2-deoxy-beta-D-glucopyranose;
beta-D-glucosamine;
2-amino-2-deoxy-beta-D-glucose;
2-amino-2-deoxy-D-glucose;
2-amino-2-deoxy-glucose;
D-GLUCOSAMINE
ChEMBLCHEMBL234432
DrugBank
ZINCZINC000003860468
PDB chain1e9l Chain A Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1e9l The Crystal Structure of a Novel Mammalian Lectin, Ym1, Suggests a Saccharide Binding Site
Resolution2.5 Å
Binding residue
(original residue number in PDB)		F58 G98 D138 Q140 M210 Y212 W360
Binding residue
(residue number reindexed from 1)		F37 G77 D117 Q119 M189 Y191 W339
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) N136 D138 Q140 Y212
Catalytic site (residue number reindexed from 1) N115 D117 Q119 Y191
Enzyme Commision number 3.2.1.52: beta-N-acetylhexosaminidase.
Gene Ontology
Molecular Function
GO:0004563 beta-N-acetylhexosaminidase activity
GO:0004568 chitinase activity
GO:0008061 chitin binding
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005975 carbohydrate metabolic process
GO:0006954 inflammatory response
GO:0009624 response to nematode
GO:0010269 response to selenium ion
Cellular Component
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005635 nuclear envelope
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0031410 cytoplasmic vesicle
GO:0048237 rough endoplasmic reticulum lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1e9l, PDBe:1e9l, PDBj:1e9l
PDBsum1e9l
PubMed11278670
UniProtO35744|CHIL3_MOUSE Chitinase-like protein 3 (Gene Name=Chil3)

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