Structure of PDB 3mcn Chain B Binding Site BS02

Receptor Information
>3mcn Chain B (length=385) Species: 376619 (Francisella tularensis subsp. holarctica LVS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMVQYIIGIGTNSGFTIENIHLAITALESQQNIRIIRKASLYSSKAIRFL
NTAVKISSSLKPDELLVLLKDIELKIGRPRVIDLDILAAEDLILETDKLT
IPHKELINRSFALAPLLELSKGWHHPKYVEWDLNIRLKELGEIVKLKQTL
ANTIRMGIVNLSNQSFSDGNFDDNQRKLNLDELIQSGAEIIDIGAESTKP
DAPISIEEEFNKLNEFLEYFKSQLANLIYKPLVSIDTRKLEVMQKILAKH
HDIIWMINDVECNNIEQKAQLIAKYNKKYVIIHNIDNVCDYIEQKKQILL
KHGIAQQNIYFDIGFGFGKSDTARYLLENIIEIKRRLELKALVGHSRKPS
VLGLDSNLATLDRATRELSRKLEKLDIDIIRVHKI
Ligand information
Ligand IDB57
InChIInChI=1S/C4H5N5O3/c5-2-1(9(11)12)3(10)8-4(6)7-2/h(H5,5,6,7,8,10)
InChIKeyXNFGVBWYGFPSDN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(=C(N=C(NC1=O)N)N)[N+](=O)[O-]
CACTVS 3.341NC1=NC(=C(C(=O)N1)[N+]([O-])=O)N
ACDLabs 10.04O=C1C([N+]([O-])=O)=C(N=C(N)N1)N
FormulaC4 H5 N5 O3
Name2,6-diamino-5-nitropyrimidin-4(3H)-one
ChEMBLCHEMBL571066
DrugBank
ZINCZINC000016989893
PDB chain3mcn Chain B Residue 424 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mcn Crystal structure of the 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.dihydropteroate synthase bifunctional enzyme from Francisella tularensis.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		F59 N61 D101 F129
Binding residue
(residue number reindexed from 1)		F49 N51 D83 F111
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 24 16:12:31 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>()
   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 = '3mcn', asym_id = 'B', bs = 'BS02', title = 'Crystal structure of the 6-hydroxymethyl-7,8-dih...bifunctional enzyme from Francisella tularensis. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3mcn', asym_id='B', bs='BS02', title='Crystal structure of the 6-hydroxymethyl-7,8-dih...bifunctional enzyme from Francisella tularensis. ')
   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 = '0003848,0004156,0009396,0042558,0044237', uniprot = '', pdbid = '3mcn', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003848,0004156,0009396,0042558,0044237', uniprot='', pdbid='3mcn', 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>