Structure of PDB 4dc3 Chain B Binding Site BS01

Receptor Information
>4dc3 Chain B (length=344) 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
AFAAGFIADYIRGKPMITSLHAAVKAAAYIICRSGFSLGSRDSY
Ligand information
Ligand ID2FA
InChIInChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
InChIKeyHBUBKKRHXORPQB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Fc1nc(c2ncn(c2n1)C3OC(C(O)C3O)CO)N
OpenEye OEToolkits 1.5.0c1nc2c(nc(nc2n1C3C(C(C(O3)CO)O)O)F)N
CACTVS 3.341Nc1nc(F)nc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
CACTVS 3.341Nc1nc(F)nc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N
FormulaC10 H12 F N5 O4
Name2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL;
2-FLUOROADENOSINE
ChEMBLCHEMBL290077
DrugBankDB04441
ZINCZINC000003875977
PDB chain4dc3 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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PDB4dc3 Adenosine kinase from Schistosoma mansoni: structural basis for the differential incorporation of nucleoside analogues.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		N14 L16 D18 M134 T136 F169 G299 D302
Binding residue
(residue number reindexed from 1)		N12 L14 D16 M132 T134 F167 G297 D300
Annotation score3
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 24 22:33:51 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 = '4dc3', 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='4dc3', 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 = '4dc3', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004001,0006166,0016301', uniprot='', pdbid='4dc3', 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>