Structure of PDB 8p8k Chain BBB Binding Site BS01

Receptor Information
>8p8k Chain BBB (length=276) Species: 89585 (Lemna aequinoctialis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLAQRLRLGSLEPDGLSYKESFIVRSYEVGVNKTATVETIANLLQEVGCN
HAQSVGFSTDGFATTTTMRLLRLIWVTARMHIEIYKYPAWGDVVEIETWC
QEDGKIGTRRDWIIKDYSTGVVIGRATSKWVMMNQDTRRLQRVNDEVREE
YLIFCPRTPRLAFPEEDSDSLKKIPKLEEPAQSSKLGLVPRRADLDMNQH
VNNVTYIGWVLESIPQEIIDTHELQTITLDYRRECQHDDIVDSLSSREGE
CQFLHFLKLSGSGLEINRGRTQWRRL
Ligand information
Ligand IDX7C
InChIInChI=1S/C12H5ClF2N2S/c13-6-4-9-12(16-5-18-9)17-11(6)10-7(14)2-1-3-8(10)15/h1-5H
InChIKeyGXXFOBBMWYBHKQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(c(c1)F)c2c(cc3c(n2)ncs3)Cl)F
CACTVS 3.385Fc1cccc(F)c1c2nc3ncsc3cc2Cl
FormulaC12 H5 Cl F2 N2 S
Name5-[2,6-bis(fluoranyl)phenyl]-6-chloranyl-[1,3]thiazolo[4,5-b]pyridine
ChEMBL
DrugBank
ZINC
PDB chain8p8k Chain BBB Residue 401 [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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PDB8p8k A Study in Scaffold Hopping: Discovery and Optimization of Thiazolopyridines as Potent Herbicides That Inhibit Acyl-ACP Thioesterase.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H77 A78 F83 A89 W101 C126 T134 R136 W156 Y177 F180 C181
Binding residue
(residue number reindexed from 1)		H51 A52 F57 A63 W75 C100 T108 R110 W130 Y151 F154 C155
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Nov 25 11:30:08 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 = '8p8k', asym_id = 'BBB', bs = 'BS01', title = 'A Study in Scaffold Hopping: Discovery and Optim...t Herbicides That Inhibit Acyl-ACP Thioesterase. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8p8k', asym_id='BBB', bs='BS01', title='A Study in Scaffold Hopping: Discovery and Optim...t Herbicides That Inhibit Acyl-ACP Thioesterase. ')
   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 = '0006633,0016297,0016790', uniprot = '', pdbid = '8p8k', asym_id = 'BBB'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0006633,0016297,0016790', uniprot='', pdbid='8p8k', asym_id='BBB')
    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>