Structure of PDB 3uxd Chain A Binding Site BS01

Receptor Information
>3uxd Chain A (length=247) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRYLKGALKDVVQLSLRRPSLRASRQRPIISLRERILEFNKRNITAIIAV
YKRKSPSGLDVERDPIEYAKFMERYAVGLVILTEEKYFNGSYEDLRKIAS
SVSIPILMWDFIVKESQIDDAYNLGADTVGLIVKILTERELESLLEYARS
YGMEPAIVINDEEDLDIALRIGARIIIISSRDLETLEINKENQRKLISMI
PSNVVKVAASGISERNEIEELRKLGVNAFEIGSSLMRNPEKIKELIL
Ligand information
Ligand ID0CU
InChIInChI=1S/C6H3Cl2N3/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H,(H,9,10,11)
InChIKeyJIEIAVACOCLACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Clc1cc(Cl)c2[nH]nnc2c1
ACDLabs 12.01Clc1cc2nnnc2c(Cl)c1
OpenEye OEToolkits 1.7.6c1c(cc(c2c1nn[nH]2)Cl)Cl
FormulaC6 H3 Cl2 N3
Name5,7-dichloro-1H-benzotriazole
ChEMBL
DrugBank
ZINCZINC000095921269
PDB chain3uxd Chain A Residue 291 [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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PDB3uxd Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		W110 G131 I133 V159 E231
Binding residue
(residue number reindexed from 1)		W109 G130 I132 V158 E230
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.41,Ki=39.3uM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 05:44:13 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 = '3uxd', asym_id = 'A', bs = 'BS01', title = 'Bridging the gaps in design methodologies by evo...and proficiency of designed Kemp eliminase KE59. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3uxd', asym_id='A', bs='BS01', title='Bridging the gaps in design methodologies by evo...and proficiency of designed Kemp eliminase KE59. ')
   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 = '0004425', uniprot = '', pdbid = '3uxd', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004425', uniprot='', pdbid='3uxd', 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>