Structure of PDB 4n7w Chain B Binding Site BS01

Receptor Information
>4n7w Chain B (length=304) Species: 29484 (Yersinia frederiksenii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKITRLFPVWALLLSVAAYFRPTTFTGIGPYVGPLLMLIMFAMGVTLRLD
DFKRVLSRPAPVAAATFLHYLIMPLTAWILAMLFRMPPDLSAGMVLVGSV
ASGTASNVMIYLAKGDVALSVTISAVSTLVGVFATPLLTRLYVDATISVD
VVGMLKSILQIVVIPITAGLVIHHTFTKTVKRIEPYLPAMSMVCILAIIS
AVVAGSQSHIASVGFVVIIAVILHNGIGLLSGYWGGKLFGFDESTCRTLA
IEVGMQNSGLAATLGKIYFSPLAALPGALFSVWHNLSGSLLAGYWSGKPV
KKDQ
Ligand information
Ligand IDMPG
InChIInChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21(24)20(23)19-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1
InChIKeyJPJYKWFFJCWMPK-GDCKJWNLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCC\C=C/CCCCCCCCOC(=O)[C@H](O)CO
OpenEye OEToolkits 1.7.6CCCCCCCC/C=C\CCCCCCCCOC(=O)[C@@H](CO)O
CACTVS 3.385CCCCCCCCC=CCCCCCCCCOC(=O)[CH](O)CO
OpenEye OEToolkits 1.7.6CCCCCCCCC=CCCCCCCCCOC(=O)C(CO)O
FormulaC21 H40 O4
Name[(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
ChEMBL
DrugBankDB03831
ZINCZINC000064436846
PDB chain4n7w Chain B Residue 402 [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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PDB4n7w Structural basis of the alternating-access mechanism in a bile acid transporter.
Resolution1.951 Å
Binding residue
(original residue number in PDB)		L225 I229 L231 L232 Y235 W297
Binding residue
(residue number reindexed from 1)		L223 I227 L229 L230 Y233 W295
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 17:31:20 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 = '4n7w', asym_id = 'B', bs = 'BS01', title = 'Structural basis of the alternating-access mechanism in a bile acid transporter.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4n7w', asym_id='B', bs='BS01', title='Structural basis of the alternating-access mechanism in a bile acid transporter.')
   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 = '4n7w', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016020', uniprot='', pdbid='4n7w', 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>