Structure of PDB 5fhf Chain A Binding Site BS01

Receptor Information
>5fhf Chain A (length=430) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DMILTEEMQKIMNLIQDDENNVFVTGKAGSGKTTFLKYLIEKSGKNCIVA
APTGIAAINAGGVTLHSLFGIPFGPITPYDRLENKFSEYKVELLLKMELL
IIDEISMVRPDILDTIDRKLRWVYESDEPFGGVQVVMFGDLFQLPPVTKK
QEREILSDFYDGFFFFNALVFKRTGFHIVELTKIFRQTEPEFINVLNNIR
NYQVTSDELDLLSELKDRKISSSYDNEYIHICTHKADVEKINADKLGEQE
IRNYDIVIKDKFPESSIPCDLHLKLRVGARVMSLVNDSLKGYYNGMLGIV
TALEDNVITVRMDNGRTIKFERYTWSNTQYTLKDNEIVKEEIGSCTQFPL
TLAWAITIHKSQGLTFDKIIIHVSHTFCPGQLYVALSRCRTLEGIVSDAF
ITKQMIIPEYALIDFERAYKSEGNYYGKRL
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 chain5fhf 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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PDB5fhf Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Resolution2.15 Å
Binding residue
(original residue number in PDB)		M4 I5 M10 G31 G33 K34 T35 T36 F187 R188
Binding residue
(residue number reindexed from 1)		M2 I3 M8 G29 G31 K32 T33 T34 F185 R186
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 24 03:17:55 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 = '5fhf', asym_id = 'A', bs = 'BS01', title = 'Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5fhf', asym_id='A', bs='BS01', title='Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1')
   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 = '0000723,0003678,0006281', uniprot = '', pdbid = '5fhf', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000723,0003678,0006281', uniprot='', pdbid='5fhf', 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>