Structure of PDB 4ovg Chain A Binding Site BS01

Receptor Information
>4ovg Chain A (length=361) 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]
MKFTVEREHLLKPLQQVSGPLGPILGNLLLQVADGTLSLTGTDLEMEMVA
RVALVQPHEPGATTVPARKFFDICRGLPEGAEIAVQLEGERMLVRSGRSR
FSLSTLPAADFPNLDDWQSEVEFTLPQATMKRLIEATQFSMAHQDVRYYL
NGMLFETEGEELRTVATDGHRLAVCSMPIGQSLPSHSVIVPRKGVIELMR
MLDGGDNPLRVQIGSNNIRAHVGDFIFTSKLVDGRFPDYRRVLPKNPDKH
LEAGCDLLKQAFARAAILSNEKFRGVRLYVSENQLKITANNPEQEEAEEI
LDVTYSGAEMEIGFNVSYVLDVLNALKCENVRMMLTDSVSSVQIEDAASQ
SAAYVVMPMRL
Ligand information
Ligand ID2VF
InChIInChI=1S/C15H15ClN2O3/c16-9-2-4-12-11(6-9)10-3-1-8(15(20)21)5-13(10)18(12)7-14(17)19/h2,4,6,8H,1,3,5,7H2,(H2,17,19)(H,20,21)/t8-/m1/s1
InChIKeyWEITVQPGVPEPAZ-MRVPVSSYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C3CCc2c1c(ccc(Cl)c1)n(c2C3)CC(=O)N
OpenEye OEToolkits 1.7.6c1cc2c(cc1Cl)c3c(n2CC(=O)N)CC(CC3)C(=O)O
OpenEye OEToolkits 1.7.6c1cc2c(cc1Cl)c3c(n2CC(=O)N)C[C@@H](CC3)C(=O)O
CACTVS 3.385NC(=O)Cn1c2C[C@@H](CCc2c3cc(Cl)ccc13)C(O)=O
CACTVS 3.385NC(=O)Cn1c2C[CH](CCc2c3cc(Cl)ccc13)C(O)=O
FormulaC15 H15 Cl N2 O3
Name(2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
ChEMBLCHEMBL3577274
DrugBank
ZINCZINC000098208316
PDB chain4ovg Chain A Residue 401 [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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PDB4ovg Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R152 Y154 T172 G174 R176 L177 V247 V360 M362
Binding residue
(residue number reindexed from 1)		R147 Y149 T167 G169 R171 L172 V242 V355 M357
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.69,Ki=204uM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Nov 25 20:12:37 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 = '4ovg', 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='4ovg', 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 = '4ovg', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003677,0003887,0006260,0008408,0009360', uniprot='', pdbid='4ovg', 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>