Structure of PDB 4m5o Chain A Binding Site BS03

Receptor Information
>4m5o Chain A (length=200) Species: 985958 (Influenza A virus (A/Lima/WRAIR1695P/2009(H1N1))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPLGSMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVC
FMYSDFHFIDERGESIIVESGDPNALLKHRFEIIEGRDRIMAWTVVNSIC
NTTGVEKPKFLPDLYDYKENRFIEIGVTRREVHIYYLEKANKIKSEKTHI
HIFSFTGEEMATKADYTLDEESRARIKTRLFTIRQEMASRSLWDSFRQSE
Ligand information
Ligand IDX48
InChIInChI=1S/C11H9NO2/c13-10-7-6-9(12-11(10)14)8-4-2-1-3-5-8/h1-5,7,13H,6H2
InChIKeyOERUTQQJGIUXIC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)C2=NC(=O)C(=CC2)O
ACDLabs 12.01O=C2N=C(c1ccccc1)CC=C2O
CACTVS 3.385OC1=CCC(=NC1=O)c2ccccc2
FormulaC11 H9 N O2
Name3-hydroxy-6-phenylpyridin-2(5H)-one
ChEMBL
DrugBank
ZINCZINC000095921366
PDB chain4m5o Chain A Residue 306 [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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PDB4m5o Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		K34 I38 H41 E80 D108 E119 K134
Binding residue
(residue number reindexed from 1)		K39 I43 H46 E85 D113 E124 K139
Annotation score1
Binding affinityMOAD: ic50=0.38uM
PDBbind-CN: -logKd/Ki=6.42,IC50=0.38uM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Nov 28 20:10:11 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 = '4m5o', asym_id = 'A', bs = 'BS03', title = 'Crystallographic fragment screening and structur...a new class of influenza endonuclease inhibitors.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4m5o', asym_id='A', bs='BS03', title='Crystallographic fragment screening and structur...a new class of influenza endonuclease inhibitors.')
   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 = '0003723,0039694', uniprot = '', pdbid = '4m5o', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003723,0039694', uniprot='', pdbid='4m5o', 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>