Structure of PDB 3is5 Chain F Binding Site BS02

Receptor Information
>3is5 Chain F (length=266) Species: 508771 (Toxoplasma gondii ME49) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENLYFQGTIDDLFIFKRKLGSGAFGDVHLVEERSSGLERVIKTINKDRSQ
VPMEQIEAEIEVLKSLDHPNIIKIFEVFEDYHNMYIVMETCEGGELLERI
VSAQARGALSEGYVAELMKQMMNALAYFHSQHVVHKDLKPENILFQDTSP
HSPIKIIDFGLAELFKAAGTALYMAPEVFKRDVTFKCDIWSAGVVMYFLL
TGCLPFTGTSLEEVQQKATYKEPNYAVECRPLTPQAVDLLKQMLTKDPER
RPSAAQVLHHEWFKQA
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain3is5 Chain F Residue 398 [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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PDB3is5 Crystal structure of CDPK kinase domain from toxoplasma Gondii, TGME49_018720
Resolution2.55 Å
Binding residue
(original residue number in PDB)		G142 S143 V162 M210 C213 E217 L267
Binding residue
(residue number reindexed from 1)		G20 S21 V40 M88 C91 E95 L144
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Feb 8 18:37:13 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>()
   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 = '3is5', asym_id = 'F', bs = 'BS02', title = 'Crystal structure of CDPK kinase domain from toxoplasma Gondii, TGME49_018720'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3is5', asym_id='F', bs='BS02', title='Crystal structure of CDPK kinase domain from toxoplasma Gondii, TGME49_018720')
   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 = '0004672,0005524,0006468', uniprot = '', pdbid = '3is5', asym_id = 'F'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004672,0005524,0006468', uniprot='', pdbid='3is5', asym_id='F')
    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>