Structure of PDB 7ei4 Chain B Binding Site BS01

Receptor Information
>7ei4 Chain B (length=389) Species: 592317 ([Empedobacter] haloabium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEIVISSALRTPIGAFSGTLKDTPAAALGAHVVKTLLERTGLAPERVDEV
VMGNVLQAGNGMNVARQVAVNGGLPVAVPAHTVNRVCGSGAQAVVTAYAQ
IRSGLSNLVIAGGVENMDQAPYLMPSLRHGARMGHTQALDALLRDGLNDA
FSDQHSGWHTEDLVAKYEVSREAQDRFAATSQQRFAAAQAAGWFEGEIVP
VTITGETVFAKDEANRPDTTEAGLAKLRPAFRKDGTITAGNAPGLNAGAA
AMIVSSHATATELGLQPQLVIRGIGVAAVEPGLFGFGPVPAIKLALAQAQ
WQVQDVDRFEVNEAFAAVGLVVRDELGIAPERFNVDGGAIAHGHPIGATG
AILLTKVAHALRRTSERRAVVSLCIGGGQGIALALERVK
Ligand information
Ligand IDJ3U
InChIInChI=1S/C16H20O4/c1-2-3-4-5-6-7-8-11-14(17)15(18)12-9-10-13-16(19)20/h2,7-8,14-15,17-18H,1,9-13H2,(H,19,20)/b8-7+/t14-,15+/m1/s1
InChIKeyJBBDMFIFQBMXHD-PEGRTIRESA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[C@@H](CCCCC(O)=O)[C@H](O)C/C=C/C#CC#CC=C
OpenEye OEToolkits 2.0.7C=CC#CC#CC=CCC(C(CCCCC(=O)O)O)O
CACTVS 3.385O[CH](CCCCC(O)=O)[CH](O)CC=CC#CC#CC=C
OpenEye OEToolkits 2.0.7C=CC#CC#C/C=C/C[C@H]([C@H](CCCCC(=O)O)O)O
FormulaC16 H20 O4
Name(6S,7R,9E)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid
ChEMBL
DrugBank
ZINC
PDB chain7ei4 Chain B Residue 500 [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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PDB7ei4 Integrated omics approach to unveil antifungal bacterial polyynes as acetyl-CoA acetyltransferase inhibitors.
Resolution1.66 Å
Binding residue
(original residue number in PDB)		C90 H158 P249 F321 G382
Binding residue
(residue number reindexed from 1)		C87 H155 P243 F315 G376
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 13:46:36 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 = '7ei4', asym_id = 'B', bs = 'BS01', title = 'Integrated omics approach to unveil antifungal b...yynes as acetyl-CoA acetyltransferase inhibitors.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7ei4', asym_id='B', bs='BS01', title='Integrated omics approach to unveil antifungal b...yynes as acetyl-CoA acetyltransferase inhibitors.')
   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 = '0016746,0016747', uniprot = '', pdbid = '7ei4', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016746,0016747', uniprot='', pdbid='7ei4', 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>