Structure of PDB 4m4q Chain A Binding Site BS03

Receptor Information
>4m4q 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 ID21A
InChIInChI=1S/C18H12FN5O2/c19-13-7-5-11(6-8-13)16-14(9-15(25)18(26)20-16)10-1-3-12(4-2-10)17-21-23-24-22-17/h1-9,25H,(H,20,26)(H,21,22,23,24)
InChIKeyWACGMDCXKWKGHR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)c4[nH]nnn4
CACTVS 3.385Oc1cc(c2ccc(cc2)c3[nH]nnn3)c(nc1O)c4ccc(F)cc4
ACDLabs 12.01Fc1ccc(cc1)c4nc(O)c(O)cc4c3ccc(c2nnnn2)cc3
FormulaC18 H12 F N5 O2
Name6-(4-fluorophenyl)-5-[4-(1H-tetrazol-5-yl)phenyl]pyridine-2,3-diol
ChEMBLCHEMBL2443239
DrugBank
ZINCZINC000095920748
PDB chain4m4q Chain A Residue 304 [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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PDB4m4q Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Resolution2.502 Å
Binding residue
(original residue number in PDB)		A20 K34 A37 I38 H41 E80 D108 E119 K134
Binding residue
(residue number reindexed from 1)		A25 K39 A42 I43 H46 E85 D113 E124 K139
Annotation score1
Binding affinityMOAD: ic50=0.011uM
PDBbind-CN: -logKd/Ki=7.96,IC50=11nM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Nov 25 17:15:40 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 = '4m4q', 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='4m4q', 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 = '4m4q', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003723,0039694', uniprot='', pdbid='4m4q', 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>