Structure of PDB 4ai5 Chain D Binding Site BS02

Receptor Information
>4ai5 Chain D (length=188) Species: 282459 (Staphylococcus aureus subsp. aureus MSSA476) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMNECAFGTKDPVYLNFHDHVWGQPLYDSKALFKLLALESQHAGLSWLT
ILKKKEAYEEAFYDFEPEKVAQMTAQDIDRLMTFPNIVHHRKKLEAIVNQ
AQGYLKIEQAYGSFSKFLWSYVNGKPKDLQYEHASDRITVDDTATQLSKD
LKQYGFKFLGPVTVFSFLEAAGLYDAHLKDCPSKPKHN
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 D Residue 400 [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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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 F16 W21 E38 H41 W46
Binding residue
(residue number reindexed from 1)		F8 Y15 F18 W23 E40 H43 W48
Annotation score1
Binding affinityMOAD: Kd=1.2mM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 24 17:00:38 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 = 'D', 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='D', 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 = 'D'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003824,0006281,0006284,0008725', uniprot='', pdbid='4ai5', asym_id='D')
    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>