Structure of PDB 5el2 Chain A Binding Site BS01

Receptor Information
>5el2 Chain A (length=125) Species: 7165 (Anopheles gambiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTTPRRDAEYPPPELLEALKPLHDICLGKTGVTEEAIKKFSDEEIHEDEK
LKCYMNCLFHEAKVVDDNGDVHLEKLHDSLPSSMHDIAMHMGKRCLYPEG
ETLCDKAFWLHKCWKQSDPKHYFLV
Ligand information
Ligand IDKBR
InChIInChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyQLHULAHOXSSASE-MNOVXSKESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4CCC(C)OC(=O)N1CCCCC1CCO
CACTVS 3.385
OpenEye OEToolkits 2.0.4		CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCO
CACTVS 3.385CC[CH](C)OC(=O)N1CCCC[CH]1CCO
FormulaC12 H23 N O3
NameIcaridin;
Picaridin;
Bayrepel;
KBR 3023
ChEMBL
DrugBank
ZINCZINC000005922359
PDB chain5el2 Chain A Residue 202 [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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PDB5el2 The crystal structure of the AgamOBP1Icaridin complex reveals alternative binding modes and stereo-selective repellent recognition.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		L76 H77 M89 G92 K93 L96 W114
Binding residue
(residue number reindexed from 1)		L76 H77 M89 G92 K93 L96 W114
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.47,Kd=0.034mM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 24 19:58:31 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 = '5el2', asym_id = 'A', bs = 'BS01', title = 'The crystal structure of the AgamOBP1Icaridin co...modes and stereo-selective repellent recognition.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5el2', asym_id='A', bs='BS01', title='The crystal structure of the AgamOBP1Icaridin co...modes and stereo-selective repellent recognition.')
   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 = '0005549', uniprot = '', pdbid = '5el2', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005549', uniprot='', pdbid='5el2', 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>