Structure of PDB 7zaz Chain BBB Binding Site BS04

Receptor Information

>7zaz Chain BBB (length=706) Species: 72120 (Omphalotus olearius)

GWGPYPPVERDETSAITYSSKLHGSVTVRDPYSQLEVPFEDSEETKAFVH
SQRKFARTYLDENPDREAWLETLKKSWNYRRFSALKPESDGHYYFEYNDG
LQSQLSLYRVRMGEEDTVLTESGPGGELFFNPNLLSLDGNAALTGFVMSP
CGNYWAYGVSEHGSDWMSIYVRKTSSPMNDKIRHVRFFIVSWTSDSKGFF
YSRYPPEDDEGKGNAPAMNCMVYYHRIGEDQESDVLVHEDPEHPFWISSV
QLTPSGRYILFAASRDASHTQLVKIADLHENDIGTNMKWKNLHDPWEARF
TIVGDEGSKIYFMTNLKAKNYKVATFDANHPDEGLTTLIAEDPNAFLVSA
SIHAQDKLLLVYLRNASHEIHIRDLTTGKPLGRIFEDLLGQFMVSGRRQD
NDIFVLFSSFLSPGTVYRYTFGEEKGYRSLFRAISIPGLNLDDFMTESVF
YPSKDGTSVHMFITRPKDVLLDGTSPVLQYGYGGFSLAMLPTFSLSTLLF
CKIYRAIYAIPNIRGGSEYGESWHREGMLDKKQNVFDDFNAATEWLIANK
YASKDRIAIRGGSNGGVLTTACANQAPGLYRCVITIEGIIDMLRFPKFTF
GASWRSEYGDPEDPEDFDFIFKYSPYHNIPPPGDTVMPAMLFFTAAYDDR
VSPLHTFKHVAALQHNFPKGPNPCLMRIDKSTQEMLEETADEYSFIGKSM
GLTMQT

Ligand information

• Ligand ID: ZPR
• InChI: InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1
• InChIKey: ORZXYSPOAVJYRU-HOTGVXAUSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1ccc(cc1)COC(=O)N2CCCC2C(=O)N3CCCC3C=O
  CACTVS 3.341: O=C[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)OCc3ccccc3
  CACTVS 3.341: O=C[CH]1CCCN1C(=O)[CH]2CCCN2C(=O)OCc3ccccc3
  OpenEye OEToolkits 1.5.0: c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C=O
  ACDLabs 10.04: O=C(N1C(C=O)CCC1)C3N(C(=O)OCc2ccccc2)CCC3
• Formula: C18 H22 N2 O4
• Name: N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL;
  Z-PRO-PROLINAL
• ChEMBL: CHEMBL79993
• DrugBank: DB03535
• ZINC: ZINC000003803443
• PDB chain: 7zaz Chain BBB Residue 807

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7zaz Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): F204 Y499 F502 S580 N581 I606 W621
• Binding residue (residue number reindexed from 1): F187 Y482 F485 S563 N564 I589 W604
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Mon Nov 25 08:09:21 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 = '7zaz', asym_id = 'BBB', bs = 'BS04', title = 'Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7zaz', asym_id='BBB', bs='BS04', title='Molecular basis for the enzymatic macrocyclization of multiply backbone N-methylated peptides')

   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 = '0004252,0006508,0008236', uniprot = '', pdbid = '7zaz', asym_id = 'BBB'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004252,0006508,0008236', uniprot='', pdbid='7zaz', asym_id='BBB')

    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>