Structure of PDB 7w74 Chain B Binding Site BS01

Receptor Information
>7w74 Chain B (length=226) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIQTPLLIGFIVMALASLAIYIKGAHYGPLLGHTLIHAAVPFIAATAYLC
MYLGVGNLIKVDGSVTYLARYVDWAFTTPLLLAGVVSSAYYGTRDLYGKS
GYITAIVTLDVIMIVTGLIASLAPYGVIKWVFFAWSCAAFAGVLYLLWKP
VASIASQQPGVSPAYRRNVGFLTVLWLIYPVVFAVGPEGFWAVSDATTVW
VFLVLDVLAKVVYAFTSERNLRAVPV
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 chain7w74 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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PDB7w74 Structural characterization of proton-pumping rhodopsin lacking a cytoplasmic proton donor residue by X-ray crystallography.
Resolution2.84 Å
Binding residue
(original residue number in PDB)		W74 T78 M113 G117 F133 F140 W176 Y179 K210
Binding residue
(residue number reindexed from 1)		W74 T78 M113 G117 F133 F140 W176 Y179 K210
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Mar 9 22:45:18 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 = '7w74', asym_id = 'B', bs = 'BS01', title = 'Structural characterization of proton-pumping rh...ic proton donor residue by X-ray crystallography.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7w74', asym_id='B', bs='BS01', title='Structural characterization of proton-pumping rh...ic proton donor residue by X-ray crystallography.')
   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 = '7w74', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005216,0006811,0016020', uniprot='', pdbid='7w74', 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>