Structure of PDB 7vgc Chain A Binding Site BS01

Receptor Information

>7vgc Chain A (length=680) Species: 210427 (Microbulbifer arenaceous)

SHNYPDTATVDQQDDYFGTAVTDPYRWLEQQDSKLVKDWVTAQNDFSLPT
LKALPHWQKINDRLTELWQYERYGVPYKKAGQVFYEYNDGSWDQSVFYRT
ADIHKDGHVILDPRALSKDGTIAAKRYTVSPNGRYLAYGTSDGGTDWTDY
RVRDLKTRRMIPDHLTGIKFSDASWAKDESGFYYSRYPFKEDGSADDSKQ
VSVYFHKIGEPQSKDQLIYKITDHPTRNPGAQVSDDGKYLILGVFDGYDS
NGIYYKDLQDGESRVVKLLDDWDALYTYLGNQGKTFYFETNVDATNGRII
AIDIDKPQKDHWKILVPEQKDALQSASLIGGRFVLHYLEDAKSKVVVTDL
DGKQQYALKLPGMGTVEGFTGDPDDPETYYAFSNFLTPPSIYKLNVHSGN
SEIVKSPKYPADFSDYVVSQEFFTSKDGTRVPLFLVHKKGLKKYGKNPTL
LYGYGGFNAAQLPRFYTRFAGWLDMGGTFAMVNLRGGSEYGGAWHKAGTK
LQKQNVFDDFIGAAEWLIEEKITSPEKLGIMGRSNGGLLVGATEVQRPEL
FAVALPIVGVLDMLRYHTASANARQWSSDYGLSENKAEFNALYAYSPVHN
TKKGTCYPATLITTADRDDRVVPWHSYKFAASLQRDQGCDNPIYLAVETR
AGHGAGKPVWMQVEDFTNQYAFLADQLGLQ

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: 7vgc Chain A Residue 801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7vgc The structure and molecular dynamics of prolyl oligopeptidase from Microbulbifer arenaceous provide insights into catalytic and regulatory mechanisms.
• Resolution: 2.722 Å
• Binding residue (original residue number in PDB): F198 F273 Y276 Y482 F485 S562 N563 N600 W604 Y608 R648 V649
• Binding residue (residue number reindexed from 1): F170 F245 Y248 Y454 F457 S534 N535 N572 W576 Y580 R620 V621
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Fri Nov 22 09:00:45 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 = '7vgc', asym_id = 'A', bs = 'BS01', title = 'The structure and molecular dynamics of prolyl o...sights into catalytic and regulatory mechanisms. '

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7vgc', asym_id='A', bs='BS01', title='The structure and molecular dynamics of prolyl o...sights into catalytic and regulatory mechanisms. ')

   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 = '7vgc', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004252,0006508,0008236', uniprot='', pdbid='7vgc', 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>