Structure of PDB 6xl3 Chain B Binding Site BS01

Receptor Information
>6xl3 Chain B (length=223) Species: 221287 (Mastigocladopsis repens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTQAWLWIGVISMALGSVFFGFGAHNAKNERWQILYTLNFFICLIAAGLY
LAMALGLGVNVINGRPTYWVRFVTWFCSTPLLLLDLTFLGRTSLPLTGSL
LGANAYMLVTGFVATVTPKPMSYIWYIVSCAAYLAIVYLLAQPYRIAAER
KHPRSKQAFRTLVTVHLVLWTLYPIVWILSPEGFSTFTQGSETMFYTLLD
IASKVGFGFLSLNTLHTLEQATE
Ligand information
Ligand IDRET
InChIInChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChIKeyNCYCYZXNIZJOKI-OVSJKPMPSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
ACDLabs 12.01O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C
OpenEye OEToolkits 1.7.0CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
OpenEye OEToolkits 1.7.0CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C
CACTVS 3.370CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
FormulaC20 H28 O
NameRETINAL
ChEMBLCHEMBL81379
DrugBank
ZINCZINC000004228262
PDB chain6xl3 Chain B 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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PDB6xl3 The crystal structures of a chloride-pumping microbial rhodopsin and its proton-pumping mutant illuminate proton transfer determinants.
Resolution2.33 Å
Binding residue
(original residue number in PDB)		F72 W75 T79 M107 Y126 S129 W170 Y173 P174 W177 K204
Binding residue
(residue number reindexed from 1)		F72 W75 T79 M107 Y126 S129 W170 Y173 P174 W177 K204
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Feb 27 08:00:48 2025

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 = '6xl3', asym_id = 'B', bs = 'BS01', title = 'The crystal structures of a chloride-pumping mic... mutant illuminate proton transfer determinants. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6xl3', asym_id='B', bs='BS01', title='The crystal structures of a chloride-pumping mic... mutant illuminate proton transfer determinants. ')
   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', uniprot = '', pdbid = '6xl3', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016020', uniprot='', pdbid='6xl3', asym_id='B')
    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>