Structure of PDB 3sfy Chain A Binding Site BS01

Receptor Information
>3sfy Chain A (length=315) Species: 235443 (Cryptococcus neoformans var. grubii H99) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYIPMSQRRSWADVKPIMQDDGPNPVVPIMYSEEYKDAMDYFRAIAAKEE
KSERALELTEIIVRMNPAHYTVWQYRFSLLTSLNKSLEDELRLMNEFAVQ
NLKSYQVWHHRLLLLDRISPQDPVSEIEYIHGSLLPDPKNYHTWAYLHWL
YSHFSTLGRISEAQWGSELDWCNEMLRVDGRNNSAWGWRWYLRVSRPGAE
TSSRSLQDELIYILKSIHLIPHNVSAWNYLRGFLKHFSLPLVPILPAILP
YTAFPMPSPLPEDTPLPVPLALEYLADSFIEQNRVDDAAKVFEKLSSEYD
QMRAGYWEFRRRECA
Ligand information
Ligand ID3FY
InChIInChI=1S/C25H29BrN6O2S/c1-20-6-4-5-7-21(20)15-32(35(33,34)25-17-29(2)19-28-25)13-12-31(16-24-14-27-18-30(24)3)23-10-8-22(26)9-11-23/h4-11,14,17-19H,12-13,15-16H2,1-3H3
InChIKeyFOPZJCZMMFSDOL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2Cc1ccccc1C[N@@](CC[N@@](Cc2cncn2C)c3ccc(cc3)Br)S(=O)(=O)c4cn(cn4)C
CACTVS 3.370Cn1cnc(c1)[S](=O)(=O)N(CCN(Cc2cncn2C)c3ccc(Br)cc3)Cc4ccccc4C
OpenEye OEToolkits 1.7.2Cc1ccccc1CN(CCN(Cc2cncn2C)c3ccc(cc3)Br)S(=O)(=O)c4cn(cn4)C
ACDLabs 12.01Brc4ccc(N(CCN(Cc1ccccc1C)S(=O)(=O)c2ncn(c2)C)Cc3cncn3C)cc4
FormulaC25 H29 Br N6 O2 S
NameN-(2-{(4-bromophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-N-(2-methylbenzyl)-1H-imidazole-4-sulfonamide
ChEMBL
DrugBank
ZINCZINC000098208441
PDB chain3sfy Chain B Residue 525 [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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PDB3sfy Structures of Cryptococcus neoformans Protein Farnesyltransferase Reveal Strategies for Developing Inhibitors That Target Fungal Pathogens.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S108 Y109 H146
Binding residue
(residue number reindexed from 1)		S104 Y105 H142
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 22:02:38 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 = '3sfy', asym_id = 'A', bs = 'BS01', title = 'Structures of Cryptococcus neoformans Protein Fa...eloping Inhibitors That Target Fungal Pathogens. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3sfy', asym_id='A', bs='BS01', title='Structures of Cryptococcus neoformans Protein Fa...eloping Inhibitors That Target Fungal Pathogens. ')
   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 = '0008318,0018342', uniprot = '', pdbid = '3sfy', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008318,0018342', uniprot='', pdbid='3sfy', 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>