Structure of PDB 3sq6 Chain J Binding Site BS01

Receptor Information
>3sq6 Chain J (length=202) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QRKLYKELVKNYNPDVIPTQRDRPVTVYFSLSLLQIMDVDEKNQVVDVVF
WLQMSWTDHYLQWNVSEYPGVKQVSVPISSLWVPDLAAYNAISKPEVLTP
QLALVNSSGHVQYLPSIRQRFSCDVSGVDTESGATCKLKFGSWTHHSREL
DLQMQEADISGYIPYSRFELVGVTQKRSERFYECCKEPYPDVTFTVTFRK
KG
Ligand information
Ligand IDEPJ
InChIInChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1
InChIKeyNLPRAJRHRHZCQQ-IVZWLZJFSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Clc1ccc(cn1)[C@H]2C[C@@H]3CC[C@H]2N3
ACDLabs 10.04Clc1ncc(cc1)C3CC2NC3CC2
OpenEye OEToolkits 1.5.0c1cc(ncc1C2CC3CCC2N3)Cl
CACTVS 3.341Clc1ccc(cn1)[CH]2C[CH]3CC[CH]2N3
OpenEye OEToolkits 1.5.0c1cc(ncc1[C@H]2C[C@@H]3CC[C@H]2N3)Cl
FormulaC11 H13 Cl N2
NameEPIBATIDINE;
(2R)-2-(6-CHLOROPYRIDIN-3-YL)-7-AZABICYCLO[2.2.1]HEPTANE
ChEMBLCHEMBL298826
DrugBankDB07720
ZINCZINC000000402872
PDB chain3sq6 Chain I Residue 300 [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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PDB3sq6 Ligand-binding domain of an alpha 7-nicotinic receptor chimera and its complex with agonist.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		L106 Q114 L116
Binding residue
(residue number reindexed from 1)		L104 Q112 L114
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 19:45:46 2024

A problem occurred in a Python script. Here is the sequence of function calls leading up to the error, in the order they occurred.

 /var/www/html/BioLiP/pdb.cgi in <module>()
   1435     title=pdb2title(pdbid)
   1436     if bs.startswith("BS"):
=> 1437         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)
   1438     else:
   1439         if lig3:
pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '3sq6', asym_id = 'J', bs = 'BS01', title = 'Ligand-binding domain of an alpha 7-nicotinic receptor chimera and its complex with agonist.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3sq6', asym_id='J', bs='BS01', title='Ligand-binding domain of an alpha 7-nicotinic receptor chimera and its complex with agonist.')
   1295         display_ec(ec,csaOrig,csaRenu)
   1296     if go:
=> 1297         display_go(go,uniprot,pdbid,asym_id)
   1298     return pubmed,uniprot
   1299 
global display_go = <function display_go>, go = '0004888,0005216,0005230,0006811,0016020,0022848,0034220,0045211', uniprot = '', pdbid = '3sq6', asym_id = 'J'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004888,0005216,0005230,0006811,0016020,0022848,0034220,0045211', uniprot='', pdbid='3sq6', asym_id='J')
    480         '''.replace("$namespace_link",namespace_link
    481           ).replace("$namespace",namespace
=>  482           ).replace("$uniprot",u
    483         ))
    484         for l,(term,name) in enumerate(go2aspect[Aspect]):
u undefined

UnboundLocalError: local variable 'u' referenced before assignment
      args = ("local variable 'u' referenced before assignment",)
      with_traceback = <built-in method with_traceback of UnboundLocalError object>