Structure of PDB 6xak Chain A Binding Site BS02

Receptor Information
>6xak Chain A (length=396) 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
AGTPGEHLLKLIAEAPVGPLSDEALAEAGSLLVVAGFPTSSGFLCGALLT
LLRHPDAVQELHAHPERVPSAVEELLRYTPLSTGSVKRMATEDLEIDGVR
IKAGEVVMVSLEAVNHDPDAFEDPDVFRPGREGPMHFGFGRGRHFCPGNR
LARCVIEATVRAVARRPGLRLAVAPEEISWHEGLFFRRPRAIPATW
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 chain6xak Chain A Residue 802 [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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PDB6xak Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
Resolution1.479 Å
Binding residue
(original residue number in PDB)		Q75 E76 T244 S287 V291 K292 L316 F390 F391
Binding residue
(residue number reindexed from 1)		Q72 E73 T239 S282 V286 K287 L311 F385 F386
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Dec 1 04:40:32 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 = '6xak', asym_id = 'A', bs = 'BS02', 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='6xak', asym_id='A', bs='BS02', 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 = '6xak', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004497,0005506,0016705,0020037', uniprot='', pdbid='6xak', 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>