Structure of PDB 5bzn Chain A Binding Site BS02

Receptor Information
>5bzn Chain A (length=150) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NQIDLNVTCRYAGVFHVEKNGRYSISRTEAADLCQAFNSTLPTMDQMKLA
LSKGFETCRYGFIEGNVVIPRIHPNAICAANHTGVYILVTSNTSHYDTYC
FNASAPPEEDCTSVTDLPNSFDGPVTITIVNRDGTRYSKKGEYRTHQEDI
Ligand information
Ligand ID4XD
InChIInChI=1S/C12H18N2O/c1-15-8-7-14-6-5-10-3-2-4-12(13)11(10)9-14/h2-4H,5-9,13H2,1H3
InChIKeyIJXQCLYAKMPTMJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2COCCN1CCc2cccc(c2C1)N
CACTVS 3.385COCCN1CCc2cccc(N)c2C1
ACDLabs 12.01C1N(Cc2c(C1)cccc2N)CCOC
FormulaC12 H18 N2 O
Name2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
ChEMBL
DrugBank
ZINCZINC000379737629
PDB chain5bzn Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5bzn Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Resolution1.23 Å
Binding residue
(original residue number in PDB)		D145 G146 P147
Binding residue
(residue number reindexed from 1)		D122 G123 P124
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005540 hyaluronic acid binding
Biological Process
GO:0007155 cell adhesion
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5bzn, PDBe:5bzn, PDBj:5bzn
PDBsum5bzn
PubMed
UniProtP15379|CD44_MOUSE CD44 antigen (Gene Name=Cd44)

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