Structure of PDB 4lpf Chain A Binding Site BS01

Receptor Information
>4lpf Chain A (length=190) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRRARIERRTRESDIVIELDLDGTGQVAVDTGVPFYDHMLTALGSHASFD
LTVRATGDVEIEAHHTIEDTAIALGTALGQALGDKRGIRRFGDAFIPMDE
TLAHAAVDLSGRPYCVHTGEPDHLQHTTIAGSSVPYHTVINRHVFESLAA
NARIALHVRVLYGRDPHHITEAQYKAVARALRQAVEPDPR
Ligand information
Ligand ID3TR
InChIInChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)
InChIKeyKLSJWNVTNUYHDU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1[nH]nc(n1)N
CACTVS 3.341Nc1n[nH]cn1
ACDLabs 10.04n1c(nnc1)N
FormulaC2 H4 N4
Name3-AMINO-1,2,4-TRIAZOLE;
AMITROLE
ChEMBLCHEMBL232801
DrugBank
ZINCZINC000016889962
PDB chain4lpf Chain A Residue 301 [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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PDB4lpf Crystal structures of the native, substrate- bound and inhibited forms of Mycobacterium tuberculosis imidazole glycerol phosphate dehydratase
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H73 H74 E77
Binding residue
(residue number reindexed from 1)		H64 H65 E68
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.51,Ki=310uM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 18:57:57 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 = '4lpf', asym_id = 'A', bs = 'BS01', title = 'Crystal structures of the native, substrate- bo...ulosis imidazole glycerol phosphate dehydratase '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4lpf', asym_id='A', bs='BS01', title='Crystal structures of the native, substrate- bo...ulosis imidazole glycerol phosphate dehydratase ')
   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 = '0000105,0004424', uniprot = '', pdbid = '4lpf', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000105,0004424', uniprot='', pdbid='4lpf', 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>