Structure of PDB 4jkr Chain J Binding Site BS01

Receptor Information

>4jkr Chain J (length=1338) Species: 595496 (Escherichia coli BW2952)

TEEFDAIKIALASPDMIRSWSFGEVKKPETINYRTFKPERDGLFCARIFG
PVKDYECLCGKYKRLKHRGVICEKCGVEVTQTKVRRERMGHIELASPTAH
IWFLKSLPSRIGLLLDMPLRDIERVLYFESYVVIEGGMTNLERQQILTEE
QYLDALEEFGDEFDAKMGAEAIQALLKSMDLEQECEQLREELNETNSETK
RKKLTKRIKLLEAFVQSGNKPEWMILTVLPVLPPDLRPLVPLDGGRFATS
DLNDLYRRVINRNNRLKRLLDLAAPDIIVRNEKRMLQEAVDALLDNGRRG
RAITGSNKRPLKSLADMIKGKQGRFRQNLLGKRVDYSGRSVITVGPYLRL
HQCGLPKKMALELFKPFIYGKLELRGLATTIKAAKKMVEREEAVVWDILD
EVIREHPVLLNRAPTLHRLGIQAFEPVLIEGKAIQLHPLVCAAYNADFDG
DQMAVHVPLTLEAQLEARALMMSTNNILSPANGEPIIVPSQDVVLGLYYM
TRDCVNAKGEGMVLTGPKEAERLYRSGLASLHARVKVRITEYEKDANGEL
VAKTSLKDTTVGRAILWMIVPKGLPYSIVNQALGKKAISKMLNTCYRILG
LKPTVIFADQIMYTGFAYAARSGASVGIDDMVIPEKKHEIISEAEAEVAE
IQEQFQSGLVTAGERYNKVIDIWAAANDRVSKAMMDNLQTETVINRDGQE
EKQVSFNSIYMMADSGARGSAAQIRQLAGMRGLMAKPDGSIIETPITANF
REGLNVLQYFISTHGARKGLADTALKTANSGYLTRRLVDVAQDLVVTEDD
CGTHEGIMMTPVIEGGDVKEPLRDRVLGRVTAEDVLKPGTADILVPRNTL
LHEQWCDLLEENSVDAVKVRSVVSCDTDFGVCAHCYGRDLARGHIINKGE
AIGVIAAQSIGEPGTQLESSIQVKNKGSIKLSNVKSVVNSSGKLVITSRN
TELKLIDEFGRTKESYKVPYGAVLAKGDGEQVAGGETVANWDPHTMPVIT
EVSGFVRFTDMIDGQTITRQTDELTGLSSLVVLDSAERTAGGKDLRPALK
IVDAQGNDVLIPGTDMPAQYFLPGKAIVQLEDGVQISSGDTLARIPQGGL
PRVADLFEARRPKEPAILAEISGIVSFGKETKGKRRLVITPVDGSDPYEE
MIPKWRQLNVFEGERVERGDVISDGPEAPHDILRLRGVHAVTRYIVNEVQ
DVYRLQGVKINDKHIEVIVRQMLRKATIVNAGSSDFLEGEQVEYSRVKIA
NRELEANGKVGATYSRDLLGITKASLATESFISAASFQETTRVLTEAAVA
GKRDELRGLKENVIVGRLIPAGTGYAYHQDRMRRRAAG

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 4jkr Chain J Residue 1501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4jkr The mechanism of E. coli RNA polymerase regulation by ppGpp is suggested by the structure of their complex.
• Resolution: 4.2 Å
• Binding residue (original residue number in PDB): C70 C72 C88
• Binding residue (residue number reindexed from 1): C57 C59 C75
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sun Nov 17 19:47:48 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 = '4jkr', asym_id = 'J', bs = 'BS01', title = 'The mechanism of E. coli RNA polymerase regulati...p is suggested by the structure of their complex.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4jkr', asym_id='J', bs='BS01', title='The mechanism of E. coli RNA polymerase regulati...p is suggested by the structure of their complex.')

   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 = '0003677,0003899,0006351', uniprot = '', pdbid = '4jkr', asym_id = 'J'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003677,0003899,0006351', uniprot='', pdbid='4jkr', asym_id='J')

    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>