Structure of PDB 4m5r Chain A Binding Site BS03

Receptor Information
>4m5r Chain A (length=201) 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
R
Ligand information
Ligand IDMSR
InChIInChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H
InChIKeyCYKCUAPYWQDIKR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1n2ccnc2)O
CACTVS 3.341Oc1ccc(cc1)n2ccnc2
ACDLabs 10.04n2ccn(c1ccc(O)cc1)c2
FormulaC9 H8 N2 O
Name4-(1H-IMIDAZOL-1-YL)PHENOL
ChEMBLCHEMBL275339
DrugBankDB08214
ZINCZINC000000066090
PDB chain4m5r 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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PDB4m5r Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		Y24 E26 K34
Binding residue
(residue number reindexed from 1)		Y29 E31 K39
Annotation score1
Binding affinityMOAD: ic50=1000uM
PDBbind-CN: -logKd/Ki=3.00,IC50=1000uM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Nov 28 07:37:49 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 = '4m5r', 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='4m5r', 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 = '4m5r', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003723,0039694', uniprot='', pdbid='4m5r', 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>