Structure of PDB 5bzl Chain A Binding Site BS01

Receptor Information
>5bzl 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 ID4WO
InChIInChI=1S/C13H18N2O2/c1-17-13(16)6-8-15-7-5-10-3-2-4-12(14)11(10)9-15/h2-4H,5-9,14H2,1H3
InChIKeyHYEBSCFAHVBELO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C1N(Cc2c(C1)cccc2N)CCC(OC)=O
OpenEye OEToolkits 1.9.2COC(=O)CCN1CCc2cccc(c2C1)N
CACTVS 3.385COC(=O)CCN1CCc2cccc(N)c2C1
FormulaC13 H18 N2 O2
Namemethyl 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)propanoate
ChEMBL
DrugBank
ZINC
PDB chain5bzl 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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PDB5bzl Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Resolution1.23 Å
Binding residue
(original residue number in PDB)		N29 V30 H39 E41 T80 R82 V153 N154 R155
Binding residue
(residue number reindexed from 1)		N6 V7 H16 E18 T57 R59 V130 N131 R132
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:5bzl, PDBe:5bzl, PDBj:5bzl
PDBsum5bzl
PubMed
UniProtP15379|CD44_MOUSE CD44 antigen (Gene Name=Cd44)

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