Structure of PDB 5bzm Chain A Binding Site BS01

Receptor Information
>5bzm 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 ID4X8
InChIInChI=1S/C16H20N4/c1-11-14(17)5-7-19-16(11)10-20-8-6-12-3-2-4-15(18)13(12)9-20/h2-5,7H,6,8-10,18H2,1H3,(H2,17,19)
InChIKeyHNIXXQJEZDAUFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1c(N)ccnc1CN2CCc3cccc(N)c3C2
ACDLabs 12.01C1N(Cc2c(C1)cccc2N)Cc3c(c(ccn3)N)C
OpenEye OEToolkits 1.9.2Cc1c(ccnc1CN2CCc3cccc(c3C2)N)N
FormulaC16 H20 N4
Name2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
ChEMBL
DrugBank
ZINC
PDB chain5bzm Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5bzm Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Resolution1.25 Å
Binding residue
(original residue number in PDB)		N29 V30 E41 R82 V153 N154 R155
Binding residue
(residue number reindexed from 1)		N6 V7 E18 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:5bzm, PDBe:5bzm, PDBj:5bzm
PDBsum5bzm
PubMed
UniProtP15379|CD44_MOUSE CD44 antigen (Gene Name=Cd44)

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