Structure of PDB 3uq6 Chain A Binding Site BS02

Receptor Information
>3uq6 Chain A (length=345) Species: 6183 (Schistosoma mansoni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLSEGYVFGMGNPLLDIIVDADDFMYRKYNLKKDNIVLAEEKHMTIYDEI
QKKKKLNYIAGGATLNTVKMIQWIIQKPFVCSYVGCIGADIQGKYIKNDC
SALDLVTEFQIAEEPLMTGKVAVLVSEKLRSMVTYLGAACDLSLAHIEQP
HVWSLVEKAQVYYIAGFVINTCYEGMLKIAKHSLENEKLFCFNLSAPFLS
QFNTKEVDEMISYSNIVFGNESEAEAYGEVHGLLEDTVHATARYIADLPF
ADGKKRKRLVIITRGKNPLLYTDSSDSEIHQFMVEQFKDDQIIDTNGAGD
AFAAGFIADYIRGKPMITSLHAAVKAAAYIICRSGFSLGSRDSYS
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain3uq6 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		T265 G267 K268 V286 F289 A329 I333
Binding residue
(residue number reindexed from 1)		T263 G265 K266 V284 F287 A327 I331
Annotation score5
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Wed Dec 18 16:11:52 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 = 'A', bs = 'BS02', 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='A', bs='BS02', 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 = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004001,0006166,0016301', uniprot='', pdbid='3uq6', 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>