Structure of PDB 8uzd Chain B Binding Site BS02

Receptor Information
>8uzd Chain B (length=330) Species: 185542 (Ilex paraguariensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSQKVTSITKPILVNAIHSLFSEYFHREKVLNVADLGCAAGPNPFSVILT
VKESLERKCKELNCQPAELQVYLNDLPGNDFNSLFKDLSGVLRTCFVMGA
PGSFYGRLFPRSCLHLVHSCYSVHWLSQVPKGLTGLPLNKGKINISKTSP
PVVEAAYLAQFKEDFTLLLKSRAEEMVQNGRMVLILNGRQASDPWGKESC
YHWEVLAEAISEMVSQGLVDEEKLDSFNVPCYAPSQEEVQDIVDKVGSFA
VEHIETFTLPFANDQESDTRVKGEQLAKNIRSFTESIISYEFGKEITEKV
YHKLTQIVVKDMASRPPTNTTVVVVLSRTM
Ligand information
Ligand IDCFF
InChIInChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChIKeyRYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cn1cnc2N(C)C(=O)N(C)C(=O)c12
ACDLabs 10.04O=C2N(c1ncn(c1C(=O)N2C)C)C
OpenEye OEToolkits 1.5.0Cn1cnc2c1C(=O)N(C(=O)N2C)C
FormulaC8 H10 N4 O2
NameCAFFEINE;
3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE
ChEMBLCHEMBL113
DrugBankDB00201
ZINCZINC000000001084
PDB chain8uzd Chain B Residue 501 [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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PDB8uzd Yerba mate (Ilex paraguariensis) genome provides new insights into convergent evolution of caffeine biosynthesis
Resolution2.721 Å
Binding residue
(original residue number in PDB)		F26 Y154 H157 W158 N223 H238 F319
Binding residue
(residue number reindexed from 1)		F1 Y121 H124 W125 N187 H202 F283
Annotation score3
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 11:59:15 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 = '8uzd', asym_id = 'B', bs = 'BS02', title = 'Yerba mate (Ilex paraguariensis) genome provides...nto convergent evolution of caffeine biosynthesis'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8uzd', asym_id='B', bs='BS02', title='Yerba mate (Ilex paraguariensis) genome provides...nto convergent evolution of caffeine biosynthesis')
   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 = '0008168', uniprot = '', pdbid = '8uzd', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008168', uniprot='', pdbid='8uzd', asym_id='B')
    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>