Structure of PDB 7xnt Chain G Binding Site BS02

Receptor Information
>7xnt Chain G (length=335) Species: 294 (Pseudomonas fluorescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADLYENPMGLMGFEFIEFASPTPGTLEPIFEIMGFTKVATHRSKNVHLYR
QGEINLILNNEPNSIASYFAAEHGPSVCGMAFRVKDSQKAYNRALELGAQ
PIHIDTGPMELNLPAIKGIGGAPLYLIDRFGEGSSIYDIDFVYLEGVERN
PVGAGLKVIDHLTHNVYRGRMVYWANFYEKLFNFREARYFDIKGEGLTSK
AMSAPDGMIRIPLNEESAGQIEEFLMQFNGEGIQHVAFLTDDLVKTWDAL
KKIGMRFMTAPPDTYYEMLEGRLPDHGEPVDQLQARGILLDGSDKRLLLQ
IFSETLMGPVFFEFIQRKGDDGFGEGNFKALFESI
Ligand information
Ligand ID94L
InChIInChI=1S/C24H22N2O5/c1-13-6-4-7-14(2)21(13)26-23(30)16-12-15(10-11-17(16)25(3)24(26)31)22(29)20-18(27)8-5-9-19(20)28/h4,6-7,10-12,27H,5,8-9H2,1-3H3
InChIKeyIFHRYUOSJUERAZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN1C(=O)N(C(=O)c2cc(ccc12)C(=O)C3=C(O)CCCC3=O)c4c(C)cccc4C
OpenEye OEToolkits 2.0.6Cc1cccc(c1N2C(=O)c3cc(ccc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)C
FormulaC24 H22 N2 O5
Name3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
ChEMBL
DrugBank
ZINC
PDB chain7xnt Chain G Residue 402 [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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PDB7xnt Structural insights of 4-Hydrophenylpyruvate dioxygenase inhibition by structurally diverse small molecules
Resolution1.822 Å
Binding residue
(original residue number in PDB)		H161 P214 Q225 H240 F311 F332 F337
Binding residue
(residue number reindexed from 1)		H161 P212 Q220 H235 F302 F323 F328
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Dec 3 04:26:10 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 = '7xnt', asym_id = 'G', bs = 'BS02', title = 'Structural insights of 4-Hydrophenylpyruvate dio...nhibition by structurally diverse small molecules'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7xnt', asym_id='G', bs='BS02', title='Structural insights of 4-Hydrophenylpyruvate dio...nhibition by structurally diverse small molecules')
   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 = '0003868,0009072,0016701', uniprot = '', pdbid = '7xnt', asym_id = 'G'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003868,0009072,0016701', uniprot='', pdbid='7xnt', asym_id='G')
    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>