Structure of PDB 4mhw Chain A Binding Site BS01

Receptor Information
>4mhw Chain A (length=177) Species: 746361 (Lactococcus cremoris subsp. cremoris NZ9000) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNVRLLTEIAFMAALAFIISLIPNTVYGWIIVEIACIPILLLSLRRGLTA
GLVGGLIWGILSMITGHAYILSLSQAFLEYLVAPVSLGIAGLFRQKTAPL
KLAPVLLGTFVAVLLKYFFHFIAGIIFWSQYAWKGWGAVAYSLAVNGISG
ILTAIAAFVILIIFVKKFPKLFIHSNY
Ligand information
Ligand ID0YN
InChIInChI=1S/C13H17N3OS/c1-8-11(7-18-12(8)3-4-17)5-10-6-15-9(2)16-13(10)14/h6-7,17H,3-5H2,1-2H3,(H2,14,15,16)
InChIKeyHLBXMICRXICHJQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Cc1ncc(Cc2csc(CCO)c2C)c(N)n1
OpenEye OEToolkits 1.7.6Cc1c(csc1CCO)Cc2cnc(nc2N)C
ACDLabs 12.01n1c(c(cnc1C)Cc2c(c(sc2)CCO)C)N
FormulaC13 H17 N3 O S
Name2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethanol
ChEMBLCHEMBL401772
DrugBank
ZINCZINC000029128992
PDB chain4mhw Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4mhw Crystal structure of ThiT with small molecules modulators
Resolution2.5 Å
Binding residue
(original residue number in PDB)		W34 E38 E84 Y85 H125 G129 W133 N151
Binding residue
(residue number reindexed from 1)		W29 E33 E79 Y80 H120 G124 W128 N146
Annotation score2
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 24 23:18:42 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 = '4mhw', asym_id = 'A', bs = 'BS01', title = 'Crystal structure of ThiT with small molecules modulators'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4mhw', asym_id='A', bs='BS01', title='Crystal structure of ThiT with small molecules modulators')
   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 = '0005886,0015234,0015888', uniprot = '', pdbid = '4mhw', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005886,0015234,0015888', uniprot='', pdbid='4mhw', 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>