Structure of PDB 2plj Chain B Binding Site BS01

Receptor Information
>2plj Chain B (length=363) Species: 216895 (Vibrio vulnificus CMCP6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLSAEEIHLIEASVEQFGAPLLLLDCDVIRQQYRALKNALPNVTLHYALK
PLPHPVVVRTLLAEGASFDLATTGEVELVASEGVPADLTIHTHPIKRDAD
IRDALAYGCNVFVVDNLNELEKFKAYRDDVELLVRLSFSKKFGCSPEQAL
VIIETAKEWNIRIKGLSFHVGSQTTNPNKYVEAIHTCRHVMEQVVERGLP
ALSTLDIGGGFPVNYTQQVMPIDQFCAPINEALSLLPETVHVLAEPGRFI
CAPAVTSVASVMGQAEREGQIWYYLDDGIYGSFSGLMFDDARYPLTTIKG
ELIPSVLSGPTCDSVDVIAENILLPKLNNGDLVIGRTMGAYTSATATDFN
FFKRAQTIALNEF
Ligand information
Ligand IDP3T
InChIInChI=1S/C12H22N3O5P/c1-9-12(16)11(7-14-5-3-2-4-13)10(6-15-9)8-20-21(17,18)19/h6,14,16H,2-5,7-8,13H2,1H3,(H2,17,18,19)
InChIKeyMXDZELCJRJAUEI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CNCCCCN)c1O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CNCCCCN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCCN)O
FormulaC12 H22 N3 O5 P
Name(4-{[(4-AMINOBUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
PHOSPHORIC ACID MONO-{4-[(4-AMINO-BUTYLAMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER
ChEMBL
DrugBank
ZINCZINC000016052386
PDB chain2plj Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2plj Phylogenetic diversity and the structural basis of substrate specificity in the beta/alpha-barrel fold basic amino acid decarboxylases.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		K66 H194 S197 G235 E270 G272 R273 D314 Y368
Binding residue
(residue number reindexed from 1)		K50 H169 S172 G210 E245 G247 R248 D289 Y341
Annotation score1
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 20:53:45 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 = '2plj', asym_id = 'B', 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='2plj', asym_id='B', 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 = '2plj', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003824,0006596', uniprot='', pdbid='2plj', asym_id='B')
    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>