Structure of PDB 2vsi Chain B Binding Site BS01

Receptor Information
>2vsi Chain B (length=227) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMIYAGILAGGTGTLPKQFLELGDRPILIHTIEKFVLEPSIEKIVVGVHG
DWVSHAEDLVDKYLPLYKERIIITKGGADRNTSIKNIIEAIDAYRPLTPE
DIVVTHDSVRPFITLRMIQDNIQLAQNHDAVDTVVEAVDTIVESTNGQFI
TDIPNRAHLYQGQTPQTFRCKDFMDLYGSLSDEEKEILTDACKIFVIKGK
DVALAKGEYSNLKITTVTDLKIAKSMI
Ligand information
Ligand IDCDF
InChIInChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8+/m1/s1
InChIKeyZWIADYZPOWUWEW-GVYWOMJSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@@H]2[C@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@H]2O[C@H](CO[P@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@@H]2O
FormulaC9 H15 N3 O11 P2
Name4-AMINO-1-{5-O-[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]-ALPHA-D-ARABINOFURANOSYL}PYRIMIDIN-2(1H)-ONE
ChEMBL
DrugBank
ZINCZINC000012504415
PDB chain2vsi Chain B Residue 1233 [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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PDB2vsi Synthesis of Cdp-Activated Ribitol for Teichoic Acid Precursors in Streptococcus Pneumoniae.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		L7 A8 G9 G82 D84 R85 S88 D112 S113 V114 K218
Binding residue
(residue number reindexed from 1)		L8 A9 G10 G77 D79 R80 S83 D107 S108 V109 K213
Annotation score3
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 08:20:13 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 = '2vsi', asym_id = 'B', bs = 'BS01', title = 'Synthesis of Cdp-Activated Ribitol for Teichoic Acid Precursors in Streptococcus Pneumoniae.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='2vsi', asym_id='B', bs='BS01', title='Synthesis of Cdp-Activated Ribitol for Teichoic Acid Precursors in Streptococcus Pneumoniae.')
   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 = '0003824,0008299,0047349,0070567', uniprot = '', pdbid = '2vsi', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003824,0008299,0047349,0070567', uniprot='', pdbid='2vsi', 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>