Structure of PDB 6xl6 Chain H Binding Site BS03

Receptor Information

>6xl6 Chain H (length=268) Species: 562 (Escherichia coli)

SQIGLFSKICRVTIKTLHYYNKIGLLVPAYINPDNGYRFYTSDQLMKFHQ
IASLRQLGFTITEIVTLTQDENSCHIIERRRLEIQKQIRDMADMLSRINH
YLQHKKKERIMLYQAALKEIPECIVYSKRFIVPDFSSYIKLIPPIGQEVM
KANPGLTLTTPAYCFTLYHDKEYKEKNMDVEFCEAVNDFGKNEGNIIFQV
IPAITAVTVIHKGPYDSLRNAYIYLMQWVEDNGYLLTNSPRESYIDGIWN
KQDSAEWMTEIQFPVEKV

Ligand information

• Ligand ID: 1N7
• InChI: InChI=1S/C32H58N2O8S/c1-20(7-10-29(39)33-13-6-14-34(4,5)18-23(36)19-43(40,41)42)24-8-9-25-30-26(17-28(38)32(24,25)3)31(2)12-11-22(35)15-21(31)16-27(30)37/h20-28,30,35-38H,6-19H2,1-5H3,(H-,33,39,40,41,42)/p+1/t20-,21+,22-,23?,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1
• InChIKey: GUQQBLRVXOUDTN-XOHPMCGNSA-O
• SMILES:
  CACTVS 3.370: C[C@H](CCC(=O)NCCC[N+](C)(C)CC(O)C[S](O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
  ACDLabs 12.01: O=S(=O)(O)CC(O)C[N+](C)(C)CCCNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C
  OpenEye OEToolkits 1.7.6: C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
  OpenEye OEToolkits 1.7.6: CC(CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
  CACTVS 3.370: C[CH](CCC(=O)NCCC[N+](C)(C)CC(O)C[S](O)(=O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C
• Formula: C32 H59 N2 O8 S
• Name: CHAPSO;
  2-hydroxy-N,N-dimethyl-3-sulfo-N-(3-{[(3beta,5beta,7beta,12beta)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)propan-1-aminium
• PDB chain: 6xl6 Chain H Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6xl6 Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): Y169 E173 Y174 K175 M179 Y223 L237
• Binding residue (residue number reindexed from 1): Y168 E172 Y173 K174 M178 Y222 L236
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Fri Nov 15 15:47:16 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 = '6xl6', asym_id = 'H', bs = 'BS03', title = 'Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6xl6', asym_id='H', bs='BS03', title='Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.')

   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 = '0003677,0003700,0006355', uniprot = '', pdbid = '6xl6', asym_id = 'H'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003677,0003700,0006355', uniprot='', pdbid='6xl6', asym_id='H')

    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>