Structure of PDB 4ai5 Chain B Binding Site BS02

Receptor Information
>4ai5 Chain B (length=186) Species: 282459 (Staphylococcus aureus subsp. aureus MSSA476) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNECAFGTKDPVYLNFHDHVWGQPLYDSKALFKLLALESQHAGLSWLTIL
KKKEAYEEAFYDFEPEKVAQMTAQDIDRLMTFPNIVHHRKKLEAIVNQAQ
GYLKIEQAYGSFSKFLWSYVNGKPKDLQYEHASDRITVDDTATQLSKDLK
QYGFKFLGPVTVFSFLEAAGLYDAHLKDCPSKPKHN
Ligand information
Ligand IDADK
InChIInChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3
InChIKeyFSASIHFSFGAIJM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cn1cnc(c-2ncnc12)N
ACDLabs 10.04N=1C2=C(N=CN(C2=NC=1)C)N
CACTVS 3.341Cn1cnc(N)c2ncnc12
FormulaC6 H7 N5
Name3-METHYL-3H-PURIN-6-YLAMINE;
3-METHYLADENINE
ChEMBLCHEMBL292268
DrugBankDB04104
ZINCZINC000100003619
PDB chain4ai5 Chain B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ai5 A Model for 3-Methyladenine Recognition by 3-Methyladenine DNA Glycosylase I (Tag) from Staphylococcus Aureus.
Resolution2.22 Å
Binding residue
(original residue number in PDB)
F6 Y13 W21 E38 W46
Binding residue
(residue number reindexed from 1)
F6 Y13 W21 E38 W46
Annotation score1
Binding affinityMOAD: Kd=1.2mM
Gene Ontology
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UnboundLocalError
Python 3.6.8: /usr/bin/python3
Sun Nov 24 16:30:21 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 = '4ai5', asym_id = 'B', bs = 'BS02', title = 'A Model for 3-Methyladenine Recognition by 3-Met...A Glycosylase I (Tag) from Staphylococcus Aureus.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4ai5', asym_id='B', bs='BS02', title='A Model for 3-Methyladenine Recognition by 3-Met...A Glycosylase I (Tag) from Staphylococcus Aureus.')
   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 = '0003824,0006281,0006284,0008725', uniprot = '', pdbid = '4ai5', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003824,0006281,0006284,0008725', uniprot='', pdbid='4ai5', asym_id='B')
    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>