Structure of PDB 4mes Chain A Binding Site BS01

Receptor Information
>4mes Chain A (length=176) Species: 746361 (Lactococcus cremoris subsp. cremoris NZ9000) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVRLLTEIAFMAALAFIISLIPNTVYGWIIVEIACIPILLLSLRRGLTAG
LVGGLIWGILSMITGHAYILSLSQAFLEYLVAPVSLGIAGLFRQKTAPLK
LAPVLLGTFVAVLLKYFFHFIAGIIFWSQYAWKGWGAVAYSLAVNGISGI
LTAIAAFVILIIFVKKFPKLFIHSNY
Ligand information
Ligand ID26G
InChIInChI=1S/C14H17N3O/c1-10-16-9-13(14(15)17-10)8-12-4-2-3-11(7-12)5-6-18/h2-4,7,9,18H,5-6,8H2,1H3,(H2,15,16,17)
InChIKeyCLAXVJRRXGSGJP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1ncc(c(n1)N)Cc2cccc(c2)CCO
ACDLabs 12.01n1c(N)c(cnc1C)Cc2cccc(c2)CCO
CACTVS 3.385Cc1ncc(Cc2cccc(CCO)c2)c(N)n1
FormulaC14 H17 N3 O
Name2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl}ethanol
ChEMBLCHEMBL4278850
DrugBank
ZINCZINC000038313768
PDB chain4mes Chain A Residue 203 [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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PDB4mes Crystal structures of ThiT with small molecule modulators
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E84 H125 W133 N151
Binding residue
(residue number reindexed from 1)		E78 H119 W127 N145
Annotation score2
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Nov 25 09:19:49 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 = '4mes', asym_id = 'A', bs = 'BS01', title = 'Crystal structures of ThiT with small molecule modulators'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4mes', asym_id='A', bs='BS01', title='Crystal structures of ThiT with small molecule 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 = '4mes', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005886,0015234,0015888', uniprot='', pdbid='4mes', 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>