Structure of PDB 1z34 Chain A Binding Site BS01

Receptor Information
>1z34 Chain A (length=230) Species: 5722 (Trichomonas vaginalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATPHNSAQVGDFAETVLMCGDPLRAKLIAETYLENPKLVNNVRGIQGYTG
TYKGKPISVMGHGMGLPSICIYAEELYSTYKVKTIIRVGTCGAIDMDIHT
RDIVIFTSAGTNSKINRIRFMDHDYPATASFDVVCALVDAAKELNIPAKV
GKGFSTDLFYNPQTELAQLMNKFHFLAVEMESAGLFPIADLYGARAGCIC
TVSDHILHHEERQNSFQNMMKIALEAAIKL
Ligand information
Ligand ID2FD
InChIInChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1
InChIKeyZWPYUXAXLRFWQC-KVQBGUIXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)F)N
OpenEye OEToolkits 1.5.0c1nc2c(nc(nc2n1C3CC(C(O3)CO)O)F)N
CACTVS 3.341Nc1nc(F)nc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3
ACDLabs 10.04Fc1nc(c2ncn(c2n1)C3OC(C(O)C3)CO)N
CACTVS 3.341Nc1nc(F)nc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO)O3
FormulaC10 H12 F N5 O3
Name5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL;
2-FLUORO-2'-DEOXYADENOSINE
ChEMBLCHEMBL1229920
DrugBankDB02947
ZINCZINC000006585598
PDB chain1z34 Chain A Residue 300 [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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PDB1z34 Identification of a subversive substrate of Trichomonas vaginalis purine nucleoside phosphorylase and the crystal structure of the enzyme-substrate complex.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		M64 T90 C91 G92 F159 V178 M180 E181
Binding residue
(residue number reindexed from 1)		M64 T90 C91 G92 F159 V178 M180 E181
Annotation score1
Binding affinityMOAD: ic50=0.42mM
PDBbind-CN: -logKd/Ki=3.38,IC50=0.42mM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 10:21:54 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 = '1z34', asym_id = 'A', bs = 'BS01', title = 'Identification of a subversive substrate of Tric...ystal structure of the enzyme-substrate complex. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='1z34', asym_id='A', bs='BS01', title='Identification of a subversive substrate of Tric...ystal structure of the enzyme-substrate complex. ')
   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 = '0003824,0004731,0006139,0009116', uniprot = '', pdbid = '1z34', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003824,0004731,0006139,0009116', uniprot='', pdbid='1z34', 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>