Structure of PDB 6adq Chain R Binding Site BS05

Receptor Information

>6adq Chain R (length=552) Species: 1445611 (Mycolicibacterium smegmatis MC2 51)

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

Ligand information

• Ligand ID: 9Y0
• InChI: InChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
• InChIKey: DVXMEPWDARXHCX-OTMQOFQLSA-N
• SMILES:
  CACTVS 3.385: CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)CO[P](O)(=O)OCCN
  OpenEye OEToolkits 2.0.6: CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN
  ACDLabs 12.01: NCCOP(=O)(O)OCC(COC(=O)CCCCCCC[C@H]=[C@H]CCCCCCCC)OC(CCCCCCCCCCCCCCC)=O
  OpenEye OEToolkits 2.0.6: CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN
  CACTVS 3.385: CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCCCCCC)CO[P](O)(=O)OCCN
• Formula: C39 H76 N O8 P
• Name: (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate
• ZINC: ZINC000032838054
• PDB chain: 6adq Chain W Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6adq An electron transfer path connects subunits of a mycobacterial respiratory supercomplex.
• Resolution: 3.5 Å
• Binding residue (original residue number in PDB): F61 F73
• Binding residue (residue number reindexed from 1): F52 F64
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sat Nov 16 16:03:08 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 = '6adq', asym_id = 'R', bs = 'BS05', title = 'An electron transfer path connects subunits of a mycobacterial respiratory supercomplex.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6adq', asym_id='R', bs='BS05', title='An electron transfer path connects subunits of a mycobacterial respiratory supercomplex.')

   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 = '6adq', asym_id = 'R'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004129,0009060,0015990,0016020,0020037', uniprot='', pdbid='6adq', 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>