Structure of PDB 8ita Chain A Binding Site BS01

Receptor Information
>8ita Chain A (length=429) Species: 58944 (Iris domestica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTTVVLYPSPGMGHLVSMFELAKLLDRHGLSVTVIIVEPHGSTAAFIARS
SASNPSVSFRVLPRPEAHAFDLLRLSNPELRRFLLESPPSALVLDYFCGN
ALDVSAELRIPAYYFFTSGAGVLSAFLHFPDLHSRTAASFREMGSSPLHF
PGIPPLPADHMPVPMLDRDDPVYESFLYFSKRLKEAEGYIINTFEDLEPR
AVAAISDAALPPNYCIGPLIQSRGGSECLAWLDAQPKRSVVFLCFGSIGL
FSSEQLKEMAVGLERSGQRFLWVVRSPPSEPDLERILPEGFLERTEGRGL
VVKSWAPQAAVLEHGSVGGFVTHCGWNSTLEAIASGVPMVAWPMYAEQWM
NKVFLVEEMKLAVPMEGYDKDMVTAEEVERKVRWLMESEGGVELRARTER
AKERAAASLAEGGKSKVALLEVVERMKRG
Ligand information
Ligand IDR0U
InChIInChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
InChIKeyOBBCRPUNCUPUOS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1c(O)cc2OC=C(C(=O)c2c1O)c3ccc(O)cc3
OpenEye OEToolkits 2.0.7COc1c(cc2c(c1O)C(=O)C(=CO2)c3ccc(cc3)O)O
FormulaC16 H12 O6
Name3-(4-hydroxyphenyl)-6-methoxy-5,7-bis(oxidanyl)chromen-4-one;
tectorigenin
ChEMBLCHEMBL242740
DrugBank
ZINCZINC000000899915
PDB chain8ita Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ita Functional characterization and structural basis of a reversible glycosyltransferase involves in plant chemical defence.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H18 S21 T135 F144 P180 P182 A383 E384
Binding residue
(residue number reindexed from 1)		H14 S17 T117 F126 P162 P164 A346 E347
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Dec 3 02:18:41 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 = '8ita', asym_id = 'A', bs = 'BS01', title = 'Functional characterization and structural basis...yltransferase involves in plant chemical defence.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8ita', asym_id='A', bs='BS01', title='Functional characterization and structural basis...yltransferase involves in plant chemical defence.')
   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 = '0008194,0035251', uniprot = '', pdbid = '8ita', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008194,0035251', uniprot='', pdbid='8ita', 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>