Structure of PDB 4g41 Chain B Binding Site BS01

Receptor Information
>4g41 Chain B (length=236) Species: 864568 (Streptococcus pyogenes ATCC 10782) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMGSMKIGIIAAMEEELSLLLANLLDAQEHQVLSKTYYTGRFGKHELIL
VQSGVGKVMSAMTVAILVEHFKAQAIINTGSAGAVASHLAIGDVVVADRL
VYHDVDATAFGYAYGQMAGQPLYYDCDPQFVAIFKQVLKHEKTNGQVGLI
ATGDSFVAGQDKIDQIKTAFSNVLAVEMEGAAIAQAAHTAGKPFIVVRAM
SDTAAHDANITFDQFIIEAGKRSAQILMTFLENLPV
Ligand information
Ligand IDMTA
InChIInChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKeyWUUGFSXJNOTRMR-IOSLPCCCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N
CACTVS 3.341CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
FormulaC11 H15 N5 O3 S
Name5'-DEOXY-5'-METHYLTHIOADENOSINE
ChEMBLCHEMBL277041
DrugBankDB02282
ZINCZINC000004228245
PDB chain4g41 Chain B Residue 300 [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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PDB4g41 Crystal structure of s-adenosylhomocysteine nucleosidase from streptococcus pyogenes in complex with 5-methylthiotubericidin;
Resolution1.45 Å
Binding residue
(original residue number in PDB)		M9 V50 S76 A77 G78 F151 V152 E172 M173 E174 S196 D197 F207
Binding residue
(residue number reindexed from 1)		M14 V55 S81 A82 G83 F156 V157 E177 M178 E179 S201 D202 F212
Annotation score5
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Nov 28 22:07:36 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 = '4g41', asym_id = 'B', bs = 'BS01', title = 'Crystal structure of s-adenosylhomocysteine nucl...pyogenes in complex with 5-methylthiotubericidin;'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4g41', asym_id='B', bs='BS01', title='Crystal structure of s-adenosylhomocysteine nucl...pyogenes in complex with 5-methylthiotubericidin;')
   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 = '0003824,0008782,0008930,0009116,0009164,0019509', uniprot = '', pdbid = '4g41', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003824,0008782,0008930,0009116,0009164,0019509', uniprot='', pdbid='4g41', 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>