Structure of PDB 2xqt Chain D Binding Site BS03

Receptor Information
>2xqt Chain D (length=82) Species: 118562 (Arthrospira platensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MESNLTTAASVIAAALAVGIGSIGPGLGQGQAAGQAVEGIARQPEAEGKI
RGTLLLSLAFMEALTIYGLVVALVLLFANPFV
Ligand information
Ligand IDCVM
InChIInChI=1S/C22H40O11/c23-10-13-15(25)16(26)18(28)22(31-13)33-20-14(11-24)32-21(19(29)17(20)27)30-9-5-4-8-12-6-2-1-3-7-12/h12-29H,1-11H2/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1
InChIKeyJRNQXDHDSXBSFV-WXFJLFHKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1C1CCC(CC1)CCCCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O
OpenEye OEToolkits 1.6.1C1CCC(CC1)CCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
CACTVS 3.352OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04O(CCCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
CACTVS 3.352OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCCCC3CCCCC3)O[CH]2CO)[CH](O)[CH](O)[CH]1O
FormulaC22 H40 O11
NameCYMAL-4;
4-CYCLOHEXYLBUTYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE
ChEMBL
DrugBank
ZINCZINC000058632213
PDB chain2xqt Chain D Residue 1085 [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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PDB2xqt Microscopic Rotary Mechanism of Ion Translocation in the Fo Complex of ATP Synthases
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G52 L55 A59
Binding residue
(residue number reindexed from 1)		G52 L55 A59
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 14:27:22 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 = '2xqt', asym_id = 'D', bs = 'BS03', title = 'Microscopic Rotary Mechanism of Ion Translocation in the Fo Complex of ATP Synthases'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='2xqt', asym_id='D', bs='BS03', title='Microscopic Rotary Mechanism of Ion Translocation in the Fo Complex of ATP Synthases')
   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 = '0015078,0015986,0033177,0045263,1902600', uniprot = '', pdbid = '2xqt', asym_id = 'D'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0015078,0015986,0033177,0045263,1902600', uniprot='', pdbid='2xqt', asym_id='D')
    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>