Structure of PDB 4ktl Chain A

Receptor sequence

>4ktlA (length=394) Species: 83332 (Mycobacterium tuberculosis H37Rv)

ATVLLEVPFSARGDRIPDAVAELRTREPIRKVRTITGAEAWLVSSYALCT
QVLEDRRFSMKETAAAGAPRLNALTVPPEVVNNMGNIADAGLRKAVMKAI
TPKAPGLEQFLRDTANSLLDNLITEGAPADLRNDFADPLATALHCKVLGI
PQEDGPKLFRSLSIAFMSSADPIPAAKINWDRDIEYMAGILENPNITTGL
MGELSRLRKDPAYSHVSDELFATIGVTFFGAGVISTGSFLTTALISLIQR
PQLRNLLHEKPELIPAGVEELLRINLSFADGLPRLATADIQVGDVLVRKG
ELVLVLLEGANFDPEHFPNPGSIELDRPNPTSHLAFGRGQHFCPGSALGR
RHAQIGIEALLKKMPGVDLAVPIDQLVWRTRFQRRIPERLPVLW

3D structure

• PDB: 4ktl Overcoming the Limitations of Fragment Merging: Rescuing a Strained Merged Fragment Series Targeting Mycobacterium tuberculosis CYP121.
• Chain: A
• Resolution: 1.95 Å

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	HEM	A	M62 M86 H146 F230 G234 S237 F241 F280 L284 R286 A337 F338 H343 C345 P346 G347	M60 M84 H144 F228 G232 S235 F239 F278 L282 R284 A335 F336 H341 C343 P344 G345
BS02	1CQ	A	T77 V78 N85 A167 F168 W182 V228 T229 Q385	T75 V76 N83 A165 F166 W180 V226 T227 Q383	MOAD: Kd=15uM

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Mon Nov 25 08:54:01 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>()

   1443                 pubmed=display_regular_ligand(pdbid,asym_id,lig3,ligIdx,title)

   1444         else:

=> 1445             pubmed,uniprot=display_protein_receptor(pdbid,asym_id,title)

   1446     

   1447     uniprot_line=''

pubmed = '', uniprot = '', display_protein_receptor = <function display_protein_receptor>, pdbid = '4ktl', asym_id = 'A', title = 'Overcoming the Limitations of Fragment Merging: ...ies Targeting Mycobacterium tuberculosis CYP121. '

 /var/www/html/BioLiP/pdb.cgi in display_protein_receptor(pdbid='4ktl', asym_id='A', title='Overcoming the Limitations of Fragment Merging: ...ies Targeting Mycobacterium tuberculosis CYP121. ')

    839 

    840     if go:

=>  841         display_go(go,uniprot,pdbid,asym_id)

    842     return pubmed,uniprot

    843 

global display_go = <function display_go>, go = '0004497,0005506,0016705,0020037', uniprot = '', pdbid = '4ktl', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004497,0005506,0016705,0020037', uniprot='', pdbid='4ktl', 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>