Structure of PDB 5oui Chain A Binding Site BS01

Receptor Information
>5oui Chain A (length=205) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEFQRKLYKELVKNYNPDVIPTQRDRPVTVYFSLSLLQIMDVDEKNQVVD
VVIWLQMSWTDHYLQWNVSEYPGVKQVSVPISSLWKPDILLYNAIERPEV
LTPQLALVNSSGHVQYLPSIRQRFSCDVSGVDTESGATCKLKFGSWTHHS
RELDLQMQEADISGYIPYSRFELVGVTQKRSERFYECCKEPYPDVTFTVT
FRKKG
Ligand information
Ligand IDAVB
InChIInChI=1S/C11H14BrN3O/c12-9-3-4-10(14-7-9)15-11(16)8-2-1-5-13-6-8/h3-4,7-8,13H,1-2,5-6H2,(H,14,15,16)/t8-/m1/s1
InChIKeyLURZDHQDKHLCGG-MRVPVSSYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Brc1ccc(NC(=O)[C@@H]2CCCNC2)nc1
OpenEye OEToolkits 2.0.6c1cc(ncc1Br)NC(=O)[C@@H]2CCCNC2
OpenEye OEToolkits 2.0.6c1cc(ncc1Br)NC(=O)C2CCCNC2
CACTVS 3.385Brc1ccc(NC(=O)[CH]2CCCNC2)nc1
FormulaC11 H14 Br N3 O
Name(3~{R})-~{N}-(5-bromanylpyridin-2-yl)piperidine-3-carboxamide
ChEMBL
DrugBank
ZINCZINC000034939007
PDB chain5oui Chain A Residue 306 [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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PDB5oui An allosteric binding site of the alpha 7 nicotinic acetylcholine receptor revealed in a humanized acetylcholine-binding protein.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		E158 A159 V175 T176 Q177 F196
Binding residue
(residue number reindexed from 1)		E159 A160 V176 T177 Q178 F197
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.03,Kd=93.57uM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Nov 28 14:13:10 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 = '5oui', asym_id = 'A', bs = 'BS01', title = 'An allosteric binding site of the alpha 7 nicoti...led in a humanized acetylcholine-binding protein.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5oui', asym_id='A', bs='BS01', title='An allosteric binding site of the alpha 7 nicoti...led in a humanized acetylcholine-binding protein.')
   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 = '5oui', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004888,0005216,0005230,0006811,0016020,0022848,0034220,0045211', uniprot='', pdbid='5oui', asym_id='A')
    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>