Structure of PDB 4ovf Chain B Binding Site BS03

Receptor Information
>4ovf Chain B (length=358) Species: 1403831 (Escherichia coli str. K-12 substr. MC4100) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKFTVEREHLLKPLQQVSLPILGNLLLQVADGTLSLTGTDLEMEMVARVA
LVQPHEPGATTVPARKFFDICRGLPEGAEIAVQLEGERMLVRSGRSRFSL
STLPAADFPNLDDWQSEVEFTLPQATMKRLIEATQFSMAHQDVRYYLNGM
LFETEGEELRTVATDGHRLAVCSMPIGQSLPSHSVIVPRKGVIELMRMLD
GGDNPLRVQIGSNNIRAHVGDFIFTSKLVDGRFPDYRRVLPKNPDKHLEA
GCDLLKQAFARAAILSNEKFRGVRLYVSENQLKITANNPEQEEAEEILDV
TYSGAEMEIGFNVSYVLDVLNALKCENVRMMLTDSVSSVQIEDAASQSAA
YVVMPMRL
Ligand information
Ligand ID2VG
InChIInChI=1S/C13H12ClNO2/c14-8-2-4-11-10(6-8)9-3-1-7(13(16)17)5-12(9)15-11/h2,4,6-7,15H,1,3,5H2,(H,16,17)/t7-/m1/s1
InChIKeyNXJTUXDOUWMCMQ-SSDOTTSWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cc1Cl)c3c([nH]2)CC(CC3)C(=O)O
CACTVS 3.385OC(=O)[C@@H]1CCc2c(C1)[nH]c3ccc(Cl)cc23
OpenEye OEToolkits 1.7.6c1cc2c(cc1Cl)c3c([nH]2)C[C@@H](CC3)C(=O)O
ACDLabs 12.01O=C(O)C3CCc2c1c(ccc(Cl)c1)nc2C3
CACTVS 3.385OC(=O)[CH]1CCc2c(C1)[nH]c3ccc(Cl)cc23
FormulaC13 H12 Cl N O2
Name(2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
ChEMBLCHEMBL3577268
DrugBank
ZINCZINC000075757981
PDB chain4ovf Chain B Residue 405 [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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PDB4ovf Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		R152 Y154 G174 H175 R176 L177 M362
Binding residue
(residue number reindexed from 1)		R144 Y146 G166 H167 R168 L169 M354
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 24 19:56:08 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 = '4ovf', asym_id = 'B', bs = 'BS03', title = 'Bacterial Sliding Clamp Inhibitors that Mimic th...al Binding Mechanism of Endogenous Linear Motifs.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4ovf', asym_id='B', bs='BS03', title='Bacterial Sliding Clamp Inhibitors that Mimic th...al Binding Mechanism of Endogenous Linear Motifs.')
   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 = '0003677,0003887,0006260,0008408,0009360', uniprot = '', pdbid = '4ovf', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003677,0003887,0006260,0008408,0009360', uniprot='', pdbid='4ovf', 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>