Structure of PDB 4qry Chain B Binding Site BS02

Receptor Information
>4qry Chain B (length=258) Species: 2257 (Natronomonas pharaonis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTQRELFEFVLNDPLLASSLYINIALAGLSILLFVFMTRGLDDPRAKLIA
VSTILVPVVSIASYTGLASGLTISVLEMPAGHFAEGSSVMLGGEEVDGVV
TMWGRYLTWALSTPMILLALGLLAGSNATKLFTAITFDIAMCVTGLAAAL
TTSSHLMRWFWYAISCACFIVVLYILLVEWAQDAKAAGTADIFSTLKLLT
VVMWLGYPIVWALGVEGVAVLPVGYTSWAYSALDIVAKYIFAFLLLNYLT
SNEGVVSG
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 chain4qry Chain B Residue 302 [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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PDB4qry Crystal Structures of the L1, L2, N, and O States of pharaonis Halorhodopsin
Resolution2.2 Å
Binding residue
(original residue number in PDB)		T131 M159 Y180 S183 F187 W222 Y225 P226 A255 K256
Binding residue
(residue number reindexed from 1)		T113 M141 Y162 S165 F169 W204 Y207 P208 A237 K238
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 13:45:03 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 = '4qry', asym_id = 'B', bs = 'BS02', title = 'Crystal Structures of the L1, L2, N, and O States of pharaonis Halorhodopsin'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4qry', asym_id='B', bs='BS02', title='Crystal Structures of the L1, L2, N, and O States of pharaonis Halorhodopsin')
   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 = '0005216,0006811,0016020', uniprot = '', pdbid = '4qry', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005216,0006811,0016020', uniprot='', pdbid='4qry', 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>