Structure of PDB 5sc4 Chain A Binding Site BS01

Receptor Information
>5sc4 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 ID8CN
InChIInChI=1S/C9H18N2O/c1-7-5-3-4-6-11(7)9(12)8(2)10/h7-8H,3-6,10H2,1-2H3/t7-,8+/m0/s1
InChIKeyFZZIMRQDJKXDFD-JGVFFNPUSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH](N)C(=O)N1CCCC[CH]1C
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CC1CCCCN1C(=O)C(C)N
CACTVS 3.385C[C@@H](N)C(=O)N1CCCC[C@@H]1C
OpenEye OEToolkits 2.0.7C[C@H]1CCCCN1C(=O)[C@@H](C)N
FormulaC9 H18 N2 O
Name(2R)-2-amino-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
ChEMBL
DrugBank
ZINCZINC000019436291
PDB chain5sc4 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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PDB5sc4 CD44 PanDDA analysis group deposition
Resolution1.165 Å
Binding residue
(original residue number in PDB)		F38 F60 N125 V137 P141
Binding residue
(residue number reindexed from 1)		F15 F37 N102 V114 P118
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:5sc4, PDBe:5sc4, PDBj:5sc4
PDBsum5sc4
PubMed
UniProtP15379|CD44_MOUSE CD44 antigen (Gene Name=Cd44)

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