Structure of PDB 8uzd Chain A Binding Site BS02

Receptor Information
>8uzd Chain A (length=333) Species: 185542 (Ilex paraguariensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CFSQKVTSITKPILVNAIHSLFSEYFHREKVLNVADLGCAAGPNPFSVIL
TVKESLERKCKELNCQPAELQVYLNDLPGNDFNSLFKDLSGLRTCFVMGA
PGSFYGRLFPRSCLHLVHSCYSVHWLSQVPKGLTSKEGLPLNKGKINISK
TSPPVVEAAYLAQFKEDFTLLLKSRAEEMVQNGRMVLILNGRQASDPWGK
ESCYHWEVLAEAISEMVSQGLVDEEKLDSFNVPCYAPSQEEVQDIVDKVG
SFAVEHIETFTLPFANDQESDTRVKGEQLAKNIRSFTESIISYEFGKEIT
EKVYHKLTQIVVKDMASRPPTNTTVVVVLSRTM
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 A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		Y154 H157 W158 N223 H238 F319
Binding residue
(residue number reindexed from 1)		Y121 H124 W125 N190 H205 F286
Annotation score3
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 11:59:32 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 = 'A', 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='A', 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 = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008168', uniprot='', pdbid='8uzd', 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>