Structure of PDB 5bze Chain A Binding Site BS02

Receptor Information
>5bze 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 ID6BT
InChIInChI=1S/C10H13NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-4,10-12H,5-7H2/t10-/m0/s1
InChIKeyBGGIPVPHBWWEJT-JTQLQIEISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc2c(c1)CCN[C@H]2CO
CACTVS 3.385OC[CH]1NCCc2ccccc12
OpenEye OEToolkits 2.0.4c1ccc2c(c1)CCNC2CO
CACTVS 3.385OC[C@@H]1NCCc2ccccc12
ACDLabs 12.01C1CNC(CO)c2c1cccc2
FormulaC10 H13 N O
Name[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
ChEMBL
DrugBank
ZINCZINC000066354521
PDB chain5bze Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5bze Crystal structure of the murine cd44 hyaluronan binding domain complex with a small molecule
Resolution1.31 Å
Binding residue
(original residue number in PDB)		N29 V30 H39 E41 N154 R155
Binding residue
(residue number reindexed from 1)		N6 V7 H16 E18 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:5bze, PDBe:5bze, PDBj:5bze
PDBsum5bze
PubMed
UniProtP15379|CD44_MOUSE CD44 antigen (Gene Name=Cd44)

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