Structure of PDB 7pqd Chain AN Binding Site BS01

Receptor Information
>7pqd Chain AN (length=51) Species: 272943 (Cereibacter sphaeroides 2.4.1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FYKIWMIFDPRRVFVAQGVFLFLLAVMIHLILLSTPSYNWLEISAAKYNR
V
Ligand information
Ligand IDSP2
InChIInChI=1S/C41H62O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18,20-22,24-28,30-31H,14,17,19,23,29,32-33H2,1-11H3/b13-12-,24-15+,25-16+,30-18+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+
InChIKeyIUUXWKRRZDDNQG-DJSFQYKBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341COC(C)(C)CCC\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C/C=C(C)/C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C
ACDLabs 10.04O(C(CCC\C(=C\C=C\C(=C\C=C\C(=C\C=C/C=C(/C=C/C=C(\C)CC\C=C(/C)CC\C=C(/C)C)C)C)C)C)(C)C)C
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC)C)C)C)C
OpenEye OEToolkits 1.5.0CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCCC(C)(C)OC)/C)/C)/C)C
CACTVS 3.341COC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C
FormulaC41 H62 O
Name3,4-DIHYDROSPHEROIDENE
ChEMBL
DrugBank
ZINCZINC000064744265
PDB chain7pqd Chain AM Residue 1000 [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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PDB7pqd Cryo-EM structure of the dimeric Rhodobacter sphaeroides RC-LH1 core complex at 2.9 angstrom : the structural basis for dimerisation.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		F25 H32 W43
Binding residue
(residue number reindexed from 1)		F22 H29 W40
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 04:55:24 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 = '7pqd', asym_id = 'AN', bs = 'BS01', title = 'Cryo-EM structure of the dimeric Rhodobacter sph...ngstrom : the structural basis for dimerisation. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7pqd', asym_id='AN', bs='BS01', title='Cryo-EM structure of the dimeric Rhodobacter sph...ngstrom : the structural basis for dimerisation. ')
   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 = '0016020,0019684,0019866,0030077,0045156', uniprot = '', pdbid = '7pqd', asym_id = 'AN'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016020,0019684,0019866,0030077,0045156', uniprot='', pdbid='7pqd', asym_id='AN')
    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>