Structure of PDB 6vzb Chain A Binding Site BS01

Receptor Information
>6vzb Chain A (length=393) Species: 1463854 (Streptomyces sp. NRRL F-5053) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLTYPFHDWSQELSPRYAQLRASDAPVCPVVSEGTGDPLWLVTRYATAVK
LLEDSRFSSEAAQASGAPRQEPVELRAPGTRGDAIAMLREAGLRSVLADG
LGPRAVRRHQGWINDLAETLMSELASREGTFDLAADFVEPLSSALVSRTL
LGELSADERDLLAHCADTGLRFCGVTHEEQVHAFTQMHEFFLEHARRLAG
TPGEHLLKLIAEAPVPLSDEALAEAGSLLVVAGFPTSSGFLCGALLTLLR
HPDAVQELHAHPERVPSAVEELLRYTPLATGSAKRMATEDLEIDGVRIKA
GEVVMVSLEAVNHDPDAFEDPDVFRPGREGPMHFGFGRGRHFCPGNRLAR
CVIEATVRAVARRPGLRLAVAPEEISWHEGLFFRRPRAIPATW
Ligand information
Ligand IDQRP
InChIInChI=1S/C16H17N3O2/c20-15-14-6-3-7-19(14)16(21)13(18-15)8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17H,3,6-8H2,(H,18,20)/t13-,14-/m0/s1
InChIKeyRYFZBPVMVYTEKZ-KBPBESRZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3
ACDLabs 12.01O=C1N4C(C(=O)NC1Cc3c2ccccc2nc3)CCC4
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c(c[nH]2)CC3C(=O)N4CCCC4C(=O)N3
CACTVS 3.370O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N4CCC[C@@H]14
CACTVS 3.370O=C1N[CH](Cc2c[nH]c3ccccc23)C(=O)N4CCC[CH]14
FormulaC16 H17 N3 O2
Name(3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione;
Brevianamide F;
cyclo-L-Trp-L-Pro
ChEMBLCHEMBL563557
DrugBank
ZINCZINC000001582158
PDB chain6vzb Chain A Residue 401 [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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PDB6vzb Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Resolution1.68 Å
Binding residue
(original residue number in PDB)		Q72 T241 A284 G286 A288 K289 L313 F387 F388
Binding residue
(residue number reindexed from 1)		Q70 T236 A279 G281 A283 K284 L308 F382 F383
Annotation score1
Binding affinityMOAD: Kd=4.81uM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Feb 16 20:06:58 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 = '6vzb', asym_id = 'A', bs = 'BS01', title = 'Molecular basis of regio- and stereo-specificity...sis of bacterial heterodimeric diketopiperazines.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6vzb', asym_id='A', bs='BS01', title='Molecular basis of regio- and stereo-specificity...sis of bacterial heterodimeric diketopiperazines.')
   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 = '6vzb', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004497,0005506,0016705,0020037', uniprot='', pdbid='6vzb', 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>