Structure of PDB 2plk Chain A Binding Site BS01

Receptor Information
>2plk Chain A (length=370) Species: 216895 (Vibrio vulnificus CMCP6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQSIFDILSAEEIHLIEASVEQFGAPLLLLDCDVIRQQYRALKNALPNVT
LHYALKPLPHPVVVRTLLAEGASFDLATTGEVELVASEGVPADLTIHTHP
IKRDADIRDALAYGCNVFVVDNLNELEKFKAYRDDVELLVRLSFKKFGCS
PEQALVIIETAKEWNIRIKGLSFHVGSQTTNPNKYVEAIHTCRHVMEQVV
ERGLPALSTLDIGGGFPVNYTQQVMPIDQFCAPINEALSLLPETVHVLAE
PGRFICAPAVTSVASVMGQAEREGQIWYYLDDGIYGSFSGLMFDDARYPL
TTIKQGGELIPSVLSGPTCDSVDVIAENILLPKLNNGDLVIGRTMGAYTS
ATATDFNFFKRAQTIALNEF
Ligand information
Ligand IDP3D
InChIInChI=1S/C13H22N3O5P/c1-10-13(17)12(8-15-6-4-2-3-5-14)11(7-16-10)9-21-22(18,19)20/h7-8,17H,2-6,9,14H2,1H3,(H2,18,19,20)/b15-8+
InChIKeyNPYALNYUWCUSTP-OVCLIPMQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCCCCN)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1/C=N/CCCCCN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)\C=N\CCCCCN)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=NCCCCCN)c1O
FormulaC13 H22 N3 O5 P
Name(4-{(E)-[(5-AMINOPENTYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
PHOSPHORIC ACID MONO-{4-[(5-AMINO-PENTYLIMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER
ChEMBL
DrugBank
ZINCZINC000058633064
PDB chain2plk Chain A Residue 501 [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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PDB2plk Phylogenetic diversity and the structural basis of substrate specificity in the beta/alpha-barrel fold basic amino acid decarboxylases.
Resolution2.14 Å
Binding residue
(original residue number in PDB)		H194 S197 G235 E270 G272 R273 D314 Y368
Binding residue
(residue number reindexed from 1)		H174 S177 G215 E250 G252 R253 D294 Y348
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 17:35:36 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 = '2plk', asym_id = 'A', bs = 'BS01', title = 'Phylogenetic diversity and the structural basis ...pha-barrel fold basic amino acid decarboxylases. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='2plk', asym_id='A', bs='BS01', title='Phylogenetic diversity and the structural basis ...pha-barrel fold basic amino acid decarboxylases. ')
   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 = '0003824,0006596', uniprot = '', pdbid = '2plk', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003824,0006596', uniprot='', pdbid='2plk', 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>