Structure of PDB 7s7x Chain C Binding Site BS01

Receptor Information
>7s7x Chain C (length=278) Species: 573062 (Thermoanaerobacter sp. X513) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANDTVVVGSIIFTEGIIVANMVAEMIEAHTDLKVVRKLNLGGYNVNFEAI
KRGGANNGIDIYVEYTGHGLVDILGFPATTDPEGAYETVKKEYKRKWNIV
WLKPLGFNNTYTLTVKDELAKQYNLKTFSDLAKISDKLILGATMWFLEGP
DGYPGLQKLYNFKFKHTKSMDMGIRYTAIDNNEVQVIDAWATDGLLVSHK
LKILEDDKAFFPPYYAAPIIRQDVLDKHPELKDVLNKLANQISLEEMQKL
NYKVDGEGQDPAKVAKEFLKEKGLILQV
Ligand information
Ligand IDQMR
InChIInChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+
InChIKeyJQSHBVHOMNKWFT-DTORHVGOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cnc2cc3c(cc2n1)C4CC3CNC4
ACDLabs 12.01n1c2cc3c(cc2ncc1)C4CNCC3C4
CACTVS 3.370C1NC[CH]2C[CH]1c3cc4nccnc4cc23
CACTVS 3.370C1NC[C@@H]2C[C@H]1c3cc4nccnc4cc23
OpenEye OEToolkits 1.7.6c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4
FormulaC13 H13 N3
NameVARENICLINE
ChEMBLCHEMBL1076903
DrugBank
ZINCZINC000001481833
PDB chain7s7x Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7s7x Structure, Function, and Application of Bacterial ABC Transporters
Resolution1.7 Å
Binding residue
(original residue number in PDB)		F12 G42 Y43 Y65 H68 N109 Y111 W190
Binding residue
(residue number reindexed from 1)		F12 G42 Y43 Y65 H68 N109 Y111 W190
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 17 00:32:41 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 = '7s7x', asym_id = 'C', bs = 'BS01', title = 'Structure, Function, and Application of Bacterial ABC Transporters'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7s7x', asym_id='C', bs='BS01', title='Structure, Function, and Application of Bacterial ABC Transporters')
   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 = '0022857,0043190,0055085', uniprot = '', pdbid = '7s7x', asym_id = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0022857,0043190,0055085', uniprot='', pdbid='7s7x', asym_id='C')
    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>