Structure of PDB 4muu Chain A Binding Site BS01

Receptor Information
>4muu Chain A (length=178) Species: 746361 (Lactococcus cremoris subsp. cremoris NZ9000) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KFNVRLLTEIAFMAALAFIISLIPNTVYGWIIVEIACIPILLLSLRRGLT
AGLVGGLIWGILSMITGHAYILSLSQAFLEYLVAPVSLGIAGLFRQKTAP
LKLAPVLLGTFVAVLLKYFFHFIAGIIFWSQYAWKGWGAVAYSLAVNGIS
GILTAIAAFVILIIFVKKFPKLFIHSNY
Ligand information
Ligand ID218
InChIInChI=1S/C14H19N4O/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17)/q+1
InChIKeyPZWYDZMWPANLMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1
OpenEye OEToolkits 1.5.0Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO
ACDLabs 10.04n1c(N)c(cnc1C)C[n+]2cccc(c2C)CCO
FormulaC14 H19 N4 O
Name1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-HYDROXYETHYL)-2-METHYLPYRIDINIUM
ChEMBLCHEMBL1229798
DrugBank
ZINCZINC000000902189
PDB chain4muu Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4muu Structural studies on the thiamin binding protein ThiT
Resolution2.1 Å
Binding residue
(original residue number in PDB)		W44 E48 E94 Y95 H135 W143 Y156 N161
Binding residue
(residue number reindexed from 1)		W30 E34 E80 Y81 H121 W129 Y142 N147
Annotation score3
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Feb 17 01:32:49 2025

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 = '4muu', asym_id = 'A', bs = 'BS01', title = 'Structural studies on the thiamin binding protein ThiT'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4muu', asym_id='A', bs='BS01', title='Structural studies on the thiamin binding protein ThiT')
   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 = '4muu', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005886,0015234,0015888', uniprot='', pdbid='4muu', 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>