Structure of PDB 4pfu Chain A Binding Site BS03

Receptor Information
>4pfu Chain A (length=540) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLERNETMYYGGSLWSPPSNWNPFTPWNAVPGTTGLVYETMFFYDPLTGN
FDPWLAEKGEWLDSKTYRVVLREGIYWHDNVPLTSEDVRFTFEIAKKYKG
IHYSSVWEWLDHIETPDNRTVIFVFKDPRYHEWNELLYTLPIVPKHIWEE
KDETTILQSSNEYPLGSGPYVAHSWDQNKMIFERFENWWGTKVMGVKPAP
KYVVIVRVLSNNVALGMLMKGELDFSNFMLPGVPILKKVYNLNTWYDEPP
YHLSSTVVGLFLNARKYPLSLPEFRRAIAMSINADPIVQRVYEGAVLKAD
PLGFLPNSVWMKYYPKEVVEKHGFKYDPEEAKSILDKLGFRDVNGDGFRE
TPDGKPIKLTIECPYGWTDWMQAIQVIVDQLKVVGINAEPYFPDSSKYYE
NMYKGEFDIEMNANGTGISSTPWTYFNTIFYPDALESEFSYTGNYGRYQN
PEVESLLEELNRTPLDNVEKVTELCGKLGEILLKDLPFIPLWYGAMAFIT
QDNVWTNWPNEHNPYAWPCGWANWWQTGALKILFNLKPAK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4pfu Chain A Residue 601 [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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PDB4pfu Duplication of Genes in an ATP-binding Cassette Transport System Increases Dynamic Range While Maintaining Ligand Specificity.
Resolution2.049 Å
Binding residue
(original residue number in PDB)		D362 N364 D366 F368 E370
Binding residue
(residue number reindexed from 1)		D342 N344 D346 F348 E350
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 29 04:11:24 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 = '4pfu', asym_id = 'A', bs = 'BS03', title = 'Duplication of Genes in an ATP-binding Cassette ...namic Range While Maintaining Ligand Specificity.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4pfu', asym_id='A', bs='BS03', title='Duplication of Genes in an ATP-binding Cassette ...namic Range While Maintaining Ligand Specificity.')
   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 = '0043190,0055085', uniprot = '', pdbid = '4pfu', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0043190,0055085', uniprot='', pdbid='4pfu', 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>