Structure of PDB 6isj Chain A Binding Site BS01

Receptor Information
>6isj Chain A (length=324) Species: 1230076 (Cryptococcus neoformans var. grubii Bt85) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVARVYANVNEKLGRSWWDYDNLVVQWGVQDNYEIVRKVGRGKYSEVFES
IHLPTDSKCIVKVLKKKKKIKREIKILQNLAGGPNVVGLLDVVRDSQSKT
PSIVTEYVNNTEFKTLYPKFSDFDVRYYIFELLKALDFCHSKGIMHRDVK
PHNVMIDHEKRTLRLIDWGLAEFYHPGTEYNVRVASRYFKGPELLVDFQE
YDYSLDMWSLGCMFASMIFRKEPFFHGHDNADQLVKIAKVLGTDELYTYL
ERYDIDLDAQFDDILGRYPRKPWSRFVSSENQRYISSEAIDFLDKLLRYD
HQERLTAEEAKEHPYFEPVRQAAA
Ligand information
Ligand ID3NG
InChIInChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
InChIKeyMUOKSQABCJCOPU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)c3cc2nc(c1ccncc1c2cc3)Nc4cccc(Cl)c4
OpenEye OEToolkits 1.7.0c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O
CACTVS 3.370OC(=O)c1ccc2c(c1)nc(Nc3cccc(Cl)c3)c4ccncc24
FormulaC19 H12 Cl N3 O2
Name5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
ChEMBLCHEMBL1230165
DrugBankDB15408
ZINCZINC000058638454
PDB chain6isj Chain A 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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PDB6isj Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		V44 G45 R46 I65 K67 V115 M162 I173 D174
Binding residue
(residue number reindexed from 1)		V39 G40 R41 I60 K62 V108 M155 I166 D167
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 29 11:24:46 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 = '6isj', asym_id = 'A', bs = 'BS01', title = 'Unprecedented selectivity and structural determi... in clinical trials for the treatment of cancer. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6isj', asym_id='A', bs='BS01', title='Unprecedented selectivity and structural determi... in clinical trials for the treatment of cancer. ')
   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 = '0004672,0004674,0005524,0006468', uniprot = '', pdbid = '6isj', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004672,0004674,0005524,0006468', uniprot='', pdbid='6isj', 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>