Structure of PDB 7xnt Chain C Binding Site BS02

Receptor Information
>7xnt Chain C (length=320) Species: 294 (Pseudomonas fluorescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLYENPMGLMGFEFIEFASPTPGTLEPIFEIMGFTKVATHRSKNVHLYRQ
GEINLILNNEPNSIASYFAAEHGPSVCGMAFRVKDSQKAYNRALELGAQP
IHIDTGPMELNLPAIKGIGGAPLYLIDRFGEGSSIYDIDFVYLEGVERNP
VGAGLKVIDHLTHNVYRGRMVYWANFYEKLFNFREATSKAMSAPDGMIRI
PLNEEQIEEFLMQFNGEGIQHVAFLTDDLVKTWDALKKIGMRFMTAPPDT
YYEMLEGRLPDHGEPVDQLQARGILLDGSSKRLLLQIFSETLMGPVFFEF
IQRKGDDGFGEGNFKALFES
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 C 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 T163 P214 Q225 H240 M263 F311 F332 G333 N336 F337
Binding residue
(residue number reindexed from 1)		H160 T162 P201 Q206 H221 M244 F288 F309 G310 N313 F314
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Wed Feb 19 05:09:05 2025

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 = 'C', 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='C', 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 = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003868,0009072,0016701', uniprot='', pdbid='7xnt', asym_id='C')
    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>