Structure of PDB 4m5r Chain A Binding Site BS02

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 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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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)		L16 K19 A20 E23 E80 G81 R82 D83
Binding residue
(residue number reindexed from 1)		L21 K24 A25 E28 E85 G86 R87 D88
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 07:29:06 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 = 'BS02', 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='BS02', 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>