Structure of PDB 3uq6 Chain B Binding Site BS01

Receptor Information
>3uq6 Chain B (length=333) Species: 6183 (Schistosoma mansoni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSEGYVFGMGNPLLDIIVDADDFMYRKYNLKKDNIVLAEEKHMTIYDEIQ
KKKKLNYIAGGATLNTVKMIQWIIQKPFVCSYVGCIGADIQGKYIKNDCS
ALDLVTEFQIAEEPLMTGKVAVLVSSMVTYLGAACDLSLAHIEQPHVWSL
VEKAQVYYIAGFVINTCYEGMLKIAKHSLENEKLFCFNLSAPFLSQFNTK
EVDEMISYSNIVFGNESEAEAYGEVHGLLEDTVHATARYIADLPFADGKK
RKRLVIITRGKNPLLYTDSSDSEIHQFMVEIIDTNGAGDAFAAGFIADYI
RGKPMITSLHAAVKAAAYIICRSGFSLGSRDSY
Ligand information
Ligand IDADN
InChIInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyOIRDTQYFTABQOQ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
FormulaC10 H13 N5 O4
NameADENOSINE
ChEMBLCHEMBL477
DrugBankDB00640
ZINCZINC000002169830
PDB chain3uq6 Chain B Residue 401 [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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PDB3uq6 Adenosine kinase from Schistosoma mansoni: structural basis for the differential incorporation of nucleoside analogues.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		N14 L16 D18 I38 G64 A65 T136 F169 G299 D302
Binding residue
(residue number reindexed from 1)		N11 L13 D15 I35 G61 A62 T129 F162 G286 D289
Annotation score5
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Dec 19 09:31:07 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 = '3uq6', asym_id = 'B', bs = 'BS01', title = 'Adenosine kinase from Schistosoma mansoni: struc...fferential incorporation of nucleoside analogues.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3uq6', asym_id='B', bs='BS01', title='Adenosine kinase from Schistosoma mansoni: struc...fferential incorporation of nucleoside analogues.')
   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 = '0004001,0006166,0016301', uniprot = '', pdbid = '3uq6', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004001,0006166,0016301', uniprot='', pdbid='3uq6', 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>