Structure of PDB 4bbp Chain A Binding Site BS01

Receptor Information
>4bbp Chain A (length=266) Species: 28901 (Salmonella enterica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVVASLKPLGFIASAIADGVTDTQVLLPDGASEHDYSLRPSDVKRLQGAD
LVVWVGPEMEAFMEKSVRNIPDNKQVTIAQLADVKPLLMKHHHGEYNMHL
WLSPEIARATAVAIHEKLVELMPQSRAKLDANLKDFEAQLAATDKQVGNE
LAPLKGKGYFVFHDAYGYYEKHYGLTPLGHFTVNPEIQPGAQRLHEIRTQ
LVEQKATCVFAEPQFRPAVVEAVARGTSVRMGTLDPLGTNIKLGKTSYSA
FLSQLANQYASCLKGD
Ligand information
Ligand IDYU7
InChIInChI=1S/C18H15ClN2O2/c19-17-9-5-4-8-14(17)10-21-11-15(13-6-2-1-3-7-13)16(12-21)18(22)20-23/h1-9,11-12,23H,10H2,(H,20,22)
InChIKeySFMZKKRSVVMNSR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385ONC(=O)c1cn(Cc2ccccc2Cl)cc1c3ccccc3
ACDLabs 12.01Clc1ccccc1Cn2cc(c(c2)C(=O)NO)c3ccccc3
OpenEye OEToolkits 1.9.2c1ccc(cc1)c2cn(cc2C(=O)NO)Cc3ccccc3Cl
FormulaC18 H15 Cl N2 O2
Name1-[(2-chlorophenyl)methyl]-N-hydroxy-4-phenyl-1H-pyrrole-3-carboxamide
ChEMBL
DrugBank
ZINCZINC000036661491
PDB chain4bbp Chain A Residue 1315 [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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PDB4bbp Salmonella Enterica Serovar Typhimurium Growth is Inhibited by the Concomitant Binding of Zn(II) and a Pyrrolyl-Hydroxamate to Znua, the Soluble Component of the Znuabc Transporter.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		L32 G56 S58 H139 H140 H147 H211 E260 P261 Q262 D283 L285
Binding residue
(residue number reindexed from 1)		L6 G30 S32 H91 H92 H99 H163 E212 P213 Q214 D235 L237
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Nov 25 02:38:47 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 = '4bbp', asym_id = 'A', bs = 'BS01', title = 'Salmonella Enterica Serovar Typhimurium Growth i...the Soluble Component of the Znuabc Transporter. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4bbp', asym_id='A', bs='BS01', title='Salmonella Enterica Serovar Typhimurium Growth i...the Soluble Component of the Znuabc Transporter. ')
   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 = '0006829,0030001,0046872', uniprot = '', pdbid = '4bbp', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0006829,0030001,0046872', uniprot='', pdbid='4bbp', 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>