Structure of PDB 4cwb Chain A

Receptor sequence

>4cwbA (length=159) Species: 1280 (Staphylococcus aureus)

HMIQAYLGLGSNIGDRESQLNDAIKILNEYDGISVSNISPIYETAPVGYT
EQPNFLNLCVEIQTTLTVLQLLECCLKTEECLHRIRKERWGPRTLDVDIL
LYGEEMIDLPKLSVPHPRMNERAFVLIPLNDIAANVVEPRSKLKVKDLVF
VDDSVKRYK

3D structure

• PDB: 4cwb Structure-Based Design and Development of Functionalized Mercaptoguanine Derivatives as Inhibitors of the Folate Biosynthesis Pathway Enzyme 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase from Staphylococcus Aureus.
• Chain: A
• Resolution: 1.56 Å

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	MG	A	D95 D97	D96 D98
BS02	MG	A	D95 D97	D96 D98
BS03	APC	A	L71 R83 R88 R92 D95 D97 I98 K110 L111 S112 H115 R117 R121	L72 R84 R89 R93 D96 D98 I99 K111 L112 S113 H116 R118 R122
BS04	X6L	A	T43 P45 V46 G47 F54 N56 R88 R92 R121 F123	T44 P46 V47 G48 F55 N57 R89 R93 R122 F124	MOAD: Kd=0.81uM PDBbind-CN: -logKd/Ki=6.09,Kd=0.81uM

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Fri Nov 29 11:15:31 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>()

   1443                 pubmed=display_regular_ligand(pdbid,asym_id,lig3,ligIdx,title)

   1444         else:

=> 1445             pubmed,uniprot=display_protein_receptor(pdbid,asym_id,title)

   1446     

   1447     uniprot_line=''

pubmed = '', uniprot = '', display_protein_receptor = <function display_protein_receptor>, pdbid = '4cwb', asym_id = 'A', title = 'Structure-Based Design and Development of Functi...in Pyrophosphokinase from Staphylococcus Aureus. '

 /var/www/html/BioLiP/pdb.cgi in display_protein_receptor(pdbid='4cwb', asym_id='A', title='Structure-Based Design and Development of Functi...in Pyrophosphokinase from Staphylococcus Aureus. ')

    839 

    840     if go:

=>  841         display_go(go,uniprot,pdbid,asym_id)

    842     return pubmed,uniprot

    843 

global display_go = <function display_go>, go = '0003848,0009396', uniprot = '', pdbid = '4cwb', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003848,0009396', uniprot='', pdbid='4cwb', 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>