Structure of PDB 2pgn Chain A Binding Site BS04

Receptor Information
>2pgn Chain A (length=587) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIKRGADLIVEALEEYGTEQVVGFIGHTSHFVADAFSKSHLGKRVINPAT
ELGGAWMVNGYNYVKDRSAAVGAWHCVGNLLLHAAMQEARTGRIPAVHIG
LNSDGRLAGRSEAAQQVPWQSFTPIARSTQRVERLDKVGEAIHEAFRVAE
GHPAGPAYVDIPFDLTADQIDDKALVPRGATRAKSVLHAPNEDVREAAAQ
LVAAKNPVILAGGGVARSGGSEALLKLAEMVGVPVVTTSTGAGVFPETHA
LAMGSAGFCGWKSANDMMAAADFVLVLGSRLSDWGIAQGYITKMPKFVHV
DTDPAVLGTFYFPLLSVVADAKTFMEQLIEVLPGTSGFKAVRYQERENFR
QATEFRAAWDGWVREQESGDGMPASMFRAMAEVRKVQRPEDIIVTDIGNH
TLPMFGGAILQRPRRLVTSMAEGILGCGFPMALGAQLAEPNSRVFLGTGD
GALYYHFNEFRVAVEHKLPVITMVFTNESYGANWTLMNHQFGQNNWTEFM
NPDWVGIAKAFGAYGESVRETGDIAGALQRAIDSGKPALIEIPVSKTQGL
ASDPVGGVGPNLLLKGREIPVDTGGSMYPGENLLHLK
Ligand information
Ligand IDCXO
InChIInChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2
InChIKeyOILAIQUEIWYQPH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CCC(=O)C(=O)C1
CACTVS 3.341O=C1CCCCC1=O
ACDLabs 10.04O=C1C(=O)CCCC1
FormulaC6 H8 O2
NameCYCLOHEXANE-1,2-DIONE
ChEMBLCHEMBL189727
DrugBank
ZINCZINC000100003928
PDB chain2pgn Chain A Residue 1601 [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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PDB2pgn The crystal structure of FAD and ThDP-dependent Cyclohexane-1,2-dione Hydrolase in Complex with Cyclohexane-1,2-dione
Resolution1.2 Å
Binding residue
(original residue number in PDB)		G27 H28 H76
Binding residue
(residue number reindexed from 1)		G26 H27 H75
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Feb 17 08:04:43 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 = '2pgn', asym_id = 'A', bs = 'BS04', title = 'The crystal structure of FAD and ThDP-dependent ...e Hydrolase in Complex with Cyclohexane-1,2-dione'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='2pgn', asym_id='A', bs='BS04', title='The crystal structure of FAD and ThDP-dependent ...e Hydrolase in Complex with Cyclohexane-1,2-dione')
   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 = '0000287,0003824,0030976', uniprot = '', pdbid = '2pgn', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000287,0003824,0030976', uniprot='', pdbid='2pgn', 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>