Structure of PDB 4ovh Chain A Binding Site BS01

Receptor Information
>4ovh Chain A (length=362) 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]
MKFTVEREHLLKPLQQVSGPLGGRLPILGNLLLQVADGTLSLTGTDLEME
MVARVALVQPHEPGATTVPARKFFDICRGLPEGAEIAVQLEGERMLVRSG
RSRFSLSTLPAADFPNLDDWQSEVEFTLPQATMKRLIEATQFSMAHQDVR
YYLNGMLFETEGEELRTVATDGHRLAVCSMPIGQSLPSHSVIVPRKGVIE
LMRMLDGGDNPLRVQIGSNNIRAHVGDFIFTSKLVDGRFPDYRRVLPKNP
DKHLEAGCDLLKQAFARAAILSNEKFRGVRLYVSENQLKITANNPEQEEA
EEILDVTYSGAEMEIGFNVSYVLDVLNALKCENVRMMLTDSVSSVQIEDA
ASQSAAYVVMPM
Ligand information
Ligand ID2VE
InChIInChI=1S/C17H17BrN2O5/c18-10-2-4-13-12(6-10)11-3-1-9(17(24)25)5-14(11)20(13)8-15(21)19-7-16(22)23/h2,4,6,9H,1,3,5,7-8H2,(H,19,21)(H,22,23)(H,24,25)/t9-/m1/s1
InChIKeyIJOMTOSTTHHIJE-SECBINFHSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)CNC(=O)Cn1c2C[C@@H](CCc2c3cc(Br)ccc13)C(O)=O
ACDLabs 12.01O=C(O)CNC(=O)Cn1c3c(c2c1CC(C(=O)O)CC2)cc(Br)cc3
OpenEye OEToolkits 1.7.6c1cc2c(cc1Br)c3c(n2CC(=O)NCC(=O)O)CC(CC3)C(=O)O
OpenEye OEToolkits 1.7.6c1cc2c(cc1Br)c3c(n2CC(=O)NCC(=O)O)C[C@@H](CC3)C(=O)O
CACTVS 3.385OC(=O)CNC(=O)Cn1c2C[CH](CCc2c3cc(Br)ccc13)C(O)=O
FormulaC17 H17 Br N2 O5
Name(2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
ChEMBLCHEMBL3577279
DrugBank
ZINCZINC000098208315
PDB chain4ovh Chain A 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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PDB4ovh Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		R152 Y154 G174 H175 R176 L177 V247 V360 M362
Binding residue
(residue number reindexed from 1)		R150 Y152 G172 H173 R174 L175 V245 V358 M360
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.85,Kd=14uM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 24 16:04:48 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 = '4ovh', asym_id = 'A', bs = 'BS01', 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='4ovh', asym_id='A', bs='BS01', 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 = '4ovh', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003677,0003887,0006260,0008408,0009360', uniprot='', pdbid='4ovh', 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>