Structure of PDB 7rh6 Chain R Binding Site BS05

Receptor Information
>7rh6 Chain R (length=552) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELEARRPFPERMGPKGNLIYKLITTTDHKLIGIMYCVVCFAFFLVGGLMA
LFMRTELAMPGLQFLSNEQFNQLFTMHGTVMLLFYATPIVFGFANLVLPL
QIGAPDVAFPRLNALSFWLFLFGALIAIAGFITPGGAADFGWTAYSPLTD
AIHSPGAGGDLWIMGLAVGGLGTILGGVNMITTVVCMRAPGMTMFRMPIF
TWNILVTSILVLIAFPILTAALFGLAADRHLGAHIYDPANGGVLLWQHLF
WFFGHPEVYIIALPFFGIVSEIFPVFSRKPIFGYTTLIYATLAIAALSVA
VWAHHMYATGAVLLPFFSFMTFLIAVPTGIKFFNWIGTMWKGQLTFETPM
LFSVGFLITFLLGGLSGVLLASPPLDFHVTDSYFVIAHFHYVLFGTIVFA
TYAGIYFWFPKMTGRLLDERLGKLHFWLTFIGFHTTFLVQHWLGDEGMPR
RYADYLPTDGFTTLNVISTVGAFILGVSMLPFVWNVFKSWRYGEPVTVDD
PWGYGNSLEWATSCPPPRHNFTELPRIRSERPAFELHYPHMVERMRAEAH
VG
Ligand information
Ligand IDMQ9
InChIInChI=1S/C56H80O2/c1-42(2)22-14-23-43(3)24-15-25-44(4)26-16-27-45(5)28-17-29-46(6)30-18-31-47(7)32-19-33-48(8)34-20-35-49(9)36-21-37-50(10)40-41-52-51(11)55(57)53-38-12-13-39-54(53)56(52)58/h12-13,22,24,26,28,30,32,34,36,38-40H,14-21,23,25,27,29,31,33,35,37,41H2,1-11H3/b43-24+,44-26-,45-28+,46-30+,47-32+,48-34+,49-36+,50-40+
InChIKeyWCRXHNIUHQUASO-ABFXHILCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
CACTVS 3.341CC(C)=CCCC(/C)=C/CCC(\C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
OpenEye OEToolkits 1.5.0CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(\C)/CC\C=C(/C)\CCC=C(C)C
ACDLabs 10.04O=C2c1c(cccc1)C(=O)C(=C2C)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)C
CACTVS 3.341CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
FormulaC56 H80 O2
NameMENAQUINONE-9
ChEMBL
DrugBank
ZINCZINC000098209188
PDB chain7rh6 Chain T Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7rh6 Structure of mycobacterial CIII 2 CIV 2 respiratory supercomplex bound to the tuberculosis drug candidate telacebec (Q203).
Resolution3.5 Å
Binding residue
(original residue number in PDB)		F131 A138
Binding residue
(residue number reindexed from 1)		F122 A129
Annotation score1
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 19:26:13 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 = '7rh6', asym_id = 'R', bs = 'BS05', 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='7rh6', asym_id='R', bs='BS05', 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 = '7rh6', asym_id = 'R'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004129,0009060,0015990,0016020,0020037', uniprot='', pdbid='7rh6', 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>