Structure of PDB 9cj0 Chain A Binding Site BS01

Receptor Information
>9cj0 Chain A (length=170) Species: 7757 (Petromyzon marinus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GHACPSQCSCDQTTVKCHSRRLTSVPAGIPTTTKILRLYSNQITKLEPGV
FDHLVNLEKLYISWNQLSALPVGVFDKLTKLTHLSLGYNQLKSVPRGAFD
NLKSLTHIWLLNNPWDCECSDILYLKNWIVQHASIVNLQGHGGVDNVKCS
GTNTPVRAVTEASTSPSKCP
Ligand information
Ligand IDEP1
InChIInChI=1S/C9H20N2O4S/c12-8-7-11-5-3-10(4-6-11)2-1-9-16(13,14)15/h12H,1-9H2,(H,13,14,15)
InChIKeyOWXMKDGYPWMGEB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OCCN1CCN(CCC[S](O)(=O)=O)CC1
OpenEye OEToolkits 1.5.0C1CN(CCN1CCCS(=O)(=O)O)CCO
ACDLabs 10.04O=S(=O)(O)CCCN1CCN(CCO)CC1
FormulaC9 H20 N2 O4 S
Name3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID
ChEMBL
DrugBank
ZINCZINC000019370281
PDB chain9cj0 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB9cj0 The High-Resolution Structure of a Variable Lymphocyte Receptor from Petrozymon marinus Capable of Binding to the Brain Extracellular Matrix
Resolution1.3 Å
Binding residue
(original residue number in PDB)		S61 W107 Q137 H139
Binding residue
(residue number reindexed from 1)		S63 W109 Q139 H141
Annotation score1
External links