Structure of PDB 6jl2 Chain A Binding Site BS03

Receptor Information
>6jl2 Chain A (length=401) Species: 672 (Vibrio vulnificus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALSPEAITSAQVFSTQSKETYTYVRCWYRTGNSHDESATDWEWAENPDGS
YFTIDGYWWSSVRLKNMFYTNTSQNVIKQRCEETLGVTHDAADITYFAAD
NRWSYNHTIWTNDPVMQADQINKIVAFGDSLSDTGNIFNAAQWRFPNPDT
WFLGHFSNGFVWTEYIAQAKKLPLYNWAVGGAAGSNQYVALTGVKDQVLS
YLTYAKMAKNYKPENTLFTLEFGLNDFMNYNREVVDVKTDFSTALIKLTD
AGAKNIMLMTLPDATKAPQFKYSTQAEIEKVRAKIVEFNEFIKAQAAFYI
IQGYNITLYDTHGLFEQLTQNPQQHGFVNASDACLNINRASSADYLYSHS
LTNECATHSSDKYVFWNVTHPTTAVHKYIAEKMLAPGAGMQRFNFHHHHH
H
Ligand information
Ligand ID1PS
InChIInChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyREEBJQTUIJTGAL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[O-][S](=O)(=O)CCC[n+]1ccccc1
ACDLabs 10.04[O-]S(=O)(=O)CCC[n+]1ccccc1
OpenEye OEToolkits 1.5.0c1cc[n+](cc1)CCCS(=O)(=O)[O-]
FormulaC8 H11 N O3 S
Name3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE;
1-(3-SULFOPROPYL) PYRIDINIUM;
PPS
ChEMBL
DrugBank
ZINC
PDB chain6jl2 Chain A Residue 504 [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]
PDB6jl2 Structural analysis of aVibriophospholipase reveals an unusual Ser-His-chloride catalytic triad.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		W80 R85 D122 S126 Y127 H129
Binding residue
(residue number reindexed from 1)		W58 R63 D100 S104 Y105 H107
Annotation score1
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Nov 26 17:26:13 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 = '6jl2', asym_id = 'A', bs = 'BS03', title = 'Structural analysis of aVibriophospholipase reveals an unusual Ser-His-chloride catalytic triad.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6jl2', asym_id='A', bs='BS03', title='Structural analysis of aVibriophospholipase reveals an unusual Ser-His-chloride catalytic triad.')
   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 = '0006629,0016298,0016788', uniprot = '', pdbid = '6jl2', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0006629,0016298,0016788', uniprot='', pdbid='6jl2', 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>