Structure of PDB 7xr5 Chain A Binding Site BS03

Receptor Information
>7xr5 Chain A (length=289) Species: 1886 (Streptomyces albidoflavus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPAAVTVLGLGRMGSALAAAFLAAGHSTTVWNRTPGKADELAARGARRAG
SVAEAVAAAPLVVVCVADDEAVHQLLDPLDGALAGRTLVNLTTGTSAQAR
ANAAWAKERGAAFLDGAIMAVPEDIATGDAVLLYSGPRDAFDAYEEALRV
LAPAGTTHLGGDAGLAALHDLALLGIMWGVLNGFLHGAALLGTAGVRAGD
FAPLAARMTTVVAGYVTAAAPEVDAGSYPAGDATLTVHQEAMRHLAEESE
ALGVNAELPRFLQLLAGRAVAEGHAESGYSALVEQFRKA
Ligand information
Ligand ID9FO
InChIInChI=1S/C40H82O21/c41-1-3-43-5-7-45-9-11-47-13-15-49-17-19-51-21-23-53-25-27-55-29-31-57-33-35-59-37-39-61-40-38-60-36-34-58-32-30-56-28-26-54-24-22-52-20-18-50-16-14-48-12-10-46-8-6-44-4-2-42/h41-42H,1-40H2
InChIKeyZHMUMDLGQBRJIW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
OpenEye OEToolkits 2.0.6C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
FormulaC40 H82 O21
Name3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol
ChEMBL
DrugBank
ZINC
PDB chain7xr5 Chain D 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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PDB7xr5 Actinomycetes-derived imine reductases with a preference towards bulky amine substrates
Resolution1.58 Å
Binding residue
(original residue number in PDB)		M128 V140 L183
Binding residue
(residue number reindexed from 1)		M119 V131 L174
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 16:40:09 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 = '7xr5', asym_id = 'A', bs = 'BS03', title = 'Actinomycetes-derived imine reductases with a preference towards bulky amine substrates'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7xr5', asym_id='A', bs='BS03', title='Actinomycetes-derived imine reductases with a preference towards bulky amine substrates')
   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 = '0016491,0050661', uniprot = '', pdbid = '7xr5', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491,0050661', uniprot='', pdbid='7xr5', asym_id='A')
    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>