Structure of PDB 7rh7 Chain R Binding Site BS01

Receptor Information

>7rh7 Chain R (length=552) Species: 246196 (Mycolicibacterium smegmatis MC2 155)

ELEARRPFPERMGPKGNLIYKLITTTDHKLIGIMYCVVCFAFFLVGGLMA
LFMRTELAMPGLQFLSNEQFNQLFTMHGTVMLLFYATPIVFGFANLVLPL
QIGAPDVAFPRLNALSFWLFLFGALIAIAGFITPGGAADFGWTAYSPLTD
AIHSPGAGGDLWIMGLAVGGLGTILGGVNMITTVVCMRAPGMTMFRMPIF
TWNILVTSILVLIAFPILTAALFGLAADRHLGAHIYDPANGGVLLWQHLF
WFFGHPEVYIIALPFFGIVSEIFPVFSRKPIFGYTTLIYATLAIAALSVA
VWAHHMYATGAVLLPFFSFMTFLIAVPTGIKFFNWIGTMWKGQLTFETPM
LFSVGFLITFLLGGLSGVLLASPPLDFHVTDSYFVIAHFHYVLFGTIVFA
TYAGIYFWFPKMTGRLLDERLGKLHFWLTFIGFHTTFLVQHWLGDEGMPR
RYADYLPTDGFTTLNVISTVGAFILGVSMLPFVWNVFKSWRYGEPVTVDD
PWGYGNSLEWATSCPPPRHNFTELPRIRSERPAFELHYPHMVERMRAEAH
VG

Ligand information

• Ligand ID: 9XX
• InChI: InChI=1S/C38H74O4/c1-5-7-9-11-13-14-15-16-17-18-19-24-28-32-37(39)41-34-36(4)42-38(40)33-29-25-21-20-23-27-31-35(3)30-26-22-12-10-8-6-2/h35-36H,5-34H2,1-4H3/t35-,36-/m0/s1
• InChIKey: LWLNRPPCJIGPLI-ZPGRZCPFSA-N
• SMILES:
  CACTVS 3.385: CCCCCCCCCCCCCCCC(=O)OC[CH](C)OC(=O)CCCCCCCC[CH](C)CCCCCCCC
  OpenEye OEToolkits 2.0.6: CCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCC(C)CCCCCCCC
  CACTVS 3.385
  OpenEye OEToolkits 2.0.6: CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCC[C@@H](C)CCCCCCCC
  ACDLabs 12.01: C(CCC(OC(COC(CCCCCCCCCCCCCCC)=O)C)=O)CCCCCC(CCCCCCCC)C
• Formula: C38 H74 O4
• Name: (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate;
  (S)-1-(palmitoyloxy)propan-2-yl (S)-10-methyloctadecanoate
• PDB chain: 7rh7 Chain W Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7rh7 Structure of mycobacterial CIII 2 CIV 2 respiratory supercomplex bound to the tuberculosis drug candidate telacebec (Q203).
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): A138 F140 I141
• Binding residue (residue number reindexed from 1): A129 F131 I132
• Annotation score: 1

Gene Ontology

--> -->

UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sat Nov 16 01:45:50 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 = '7rh7', asym_id = 'R', bs = 'BS01', title = 'Structure of mycobacterial CIII 2 CIV 2 respirat...the tuberculosis drug candidate telacebec (Q203).'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7rh7', asym_id='R', bs='BS01', title='Structure of mycobacterial CIII 2 CIV 2 respirat...the tuberculosis drug candidate telacebec (Q203).')

   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 = '0004129,0009060,0015990,0016020,0020037', uniprot = '', pdbid = '7rh7', asym_id = 'R'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004129,0009060,0015990,0016020,0020037', uniprot='', pdbid='7rh7', asym_id='R')

    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>