Structure of PDB 6xam Chain A Binding Site BS03

Receptor Information
>6xam Chain A (length=395) Species: 1463854 (Streptomyces sp. NRRL F-5053) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TATLTYPFHDWSQELSPRYAQLRASDAPVCPVVSEGTGDPLWLVTRYATA
VKLLEDSRFSSEAAQASGAPRQEPVELRAPGTRGDAIAMLREAGLRSVLA
DGLGPRAVRRHQGWINDLAETLMSELASREGTFDLAADFVEPLSSALVSR
TLLGELSADERDLLAHCADTGLRFCGVTHEEQVHAFTQMHEFFLEHARRL
AGTPGEHLLKLIAEAPGPLSDEALAEAGSLLVVAGFPTSSGFLCGALLTL
LRHPDAVQELHAHPERVPSAVEELLRYTPLSTGSVKRMATEDLEIDGVRI
KAGEVVMVSLEAVNHDPDAFEDPDVFRPGREGPMHFGFGRGRHFCPGNRL
ARCVIEATVRAVARRPGLRLAVAPEEISWHEGLFFRRPRAIPATW
Ligand information
Ligand IDWMA
InChIInChI=1S/C15H17N3O2/c1-2-11-14(19)18-13(15(20)17-11)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,13,16H,2,7H2,1H3,(H,17,20)(H,18,19)/t11-,13-/m0/s1
InChIKeyBLROIZPIUOLTDB-AAEUAGOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
OpenEye OEToolkits 2.0.7CC[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3
OpenEye OEToolkits 2.0.7CCC1C(=O)NC(C(=O)N1)Cc2c[nH]c3c2cccc3
ACDLabs 12.01n2c3ccccc3c(CC1C(NC(C(=O)N1)CC)=O)c2
CACTVS 3.385CC[CH]1NC(=O)[CH](Cc2c[nH]c3ccccc23)NC1=O
FormulaC15 H17 N3 O2
Name(3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione
ChEMBL
DrugBank
ZINC
PDB chain6xam Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xam Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
Resolution1.481 Å
Binding residue
(original residue number in PDB)		Q68 L236 V239 K292 F391
Binding residue
(residue number reindexed from 1)		Q65 L230 V233 K286 F385
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 29 05:57:30 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 = '6xam', asym_id = 'A', bs = 'BS03', title = 'Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6xam', asym_id='A', bs='BS03', title='Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.')
   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 = '0004497,0005506,0016705,0020037', uniprot = '', pdbid = '6xam', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004497,0005506,0016705,0020037', uniprot='', pdbid='6xam', 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>