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BioLiP

Structure of PDB 5fbs Chain A Binding Site BS02

Receptor Information
>5fbs Chain A (length=787) Species: 265669 (Listeria monocytogenes serotype 4b str. F2365) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPYVLKFQEIRPHSEALVGGKGMNLGACSNIEGVHVPAGFCLTTEAYKRT
LNEFTQLLQRLSEISETIRTLIQHTQIPSEIASYMDATLLDVGGYEMPFA
VRSSAAGQHDTYLNIIGKDALLQHISMCWASLFTERAIIRKVQLAVVIQQ
MISPEASGILFTADPITSNRKSLSIDASFGLGEALVSGLVSADSYTVREN
TITNKIIATKKLAIYSLKEGGTETRILEKSQQTKQTLTDQQIIQLAKLGR
KIEAYFGKPQDIEWCLAEGAFYIVQSRPITTLYPIPEVNEPGNRVYISVA
HQQMMTDAMKPLGLSFYLMTTPATMYTAGGRLFVDITQSLSAKVSRDMMV
NSLGQSDPLIKDALLTVINKKGFLPPLPTDSSSVFELVRNSENSIKHLKQ
SIETKSGSDLFDFIVEDLEELKRVLFNPTSIDAIMAGMDASNVADKLSES
APNNITSQMGLELLDVADVIRPYPAVRAYLEQTKNPDFMNELATLEGGAE
TKKALEDYLQKYGMRCAGEIDLTKTRWIENPLTLIPLILSNIKNFDSSAS
MHKFAQGEKEAFHKEQEILRAMETKEKIDILRHFIGYREYPKYGMINRYF
IYKLALLRAGEQLVKDGILQEHEDIYFLYFEELREVVRTGQVDYELINAR
KRDFATFEKLTPPRILTSDGEMINGEYKRENLPKDAILGLPVSSGTVEGR
ARVILEMEKADLEDGDILVTAYTDPSWTPAFVSIKGLVTEVGGLMTHGAV
IAREYGLPAVVGVENATTIIKDGQQIRINGTEGYIEI
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain5fbs Chain A Residue 902 [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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PDB5fbs Rifampin phosphotransferase is an unusual antibiotic resistance kinase.
Resolution2.59 Å
Binding residue
(original residue number in PDB)		K22 R117 Q133 T136 Q183 I186 C299 V308
Binding residue
(residue number reindexed from 1)		K21 R102 Q108 T111 Q149 I152 C265 V274
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue May 13 00:24:45 2025

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>()
   1701     title=pdb2title(pdbid)
   1702     if bs.startswith("BS"):
=> 1703         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)
   1704     else:
   1705         if lig3:
pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '5fbs', asym_id = 'A', bs = 'BS02', title = 'Rifampin phosphotransferase is an unusual antibiotic resistance kinase.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5fbs', asym_id='A', bs='BS02', title='Rifampin phosphotransferase is an unusual antibiotic resistance kinase.')
   1326         display_ec(ec,csaOrig,csaRenu)
   1327     if go:
=> 1328         display_go(go,uniprot,pdbid,asym_id)
   1329     return pubmed,uniprot
   1330 
global display_go = <function display_go>, go = '0005524,0016301,0016310,0016772', uniprot = '', pdbid = '5fbs', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005524,0016301,0016310,0016772', uniprot='', pdbid='5fbs', asym_id='A')
    484         '''.replace("$namespace_link",namespace_link
    485           ).replace("$namespace",namespace
=>  486           ).replace("$uniprot",u
    487         ))
    488         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>