Structure of PDB 8s9n Chain A Binding Site BS01

Receptor Information
>8s9n Chain A (length=224) Species: 104782 (Adineta vaga) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSDSFQKKKLKSFTNKYVVLDSLEGLRSLPDNSVQCVVTSPPYNEDDYQK
WQLQILNEINRILKPGGSAFYNHKPPEKFLSDSDLELYQTIIWDRGSTVN
QNARYFRPYVEKIFWFTKSISGESTTPKFHRDRLPEYFKGVIWRIPPDKR
NKHPAPFPAILAEICILTTTEEGDLVLDPFAGSGTTLVAAASLKRSYLGF
DISSKYQKMFHQRLATSKSKVHLW
Ligand information
Ligand IDSFG
InChIInChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
InChIKeyLMXOHSDXUQEUSF-YECHIGJVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CC(CCC(C(=O)O)N)N)O)O)N
CACTVS 3.370N[CH](CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
CACTVS 3.370N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 12.01O=C(O)C(N)CCC(N)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H23 N7 O5
NameSINEFUNGIN;
ADENOSYL-ORNITHINE
ChEMBLCHEMBL1214186
DrugBankDB01910
ZINCZINC000004217451
PDB chain8s9n 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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PDB8s9n Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
Resolution1.89 Å
Binding residue
(original residue number in PDB)		S89 S107 P109 H253 A255 P256 F257 F280 A281 S283 T285 D301 I302 Y306
Binding residue
(residue number reindexed from 1)		S22 S40 P42 H153 A155 P156 F157 F180 A181 S183 T185 D201 I202 Y206
Annotation score3
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 10:10:19 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 = '8s9n', asym_id = 'A', bs = 'BS01', title = 'Biochemical and structural characterization of t...nsferase from the bdelloid rotifer Adineta vaga. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8s9n', asym_id='A', bs='BS01', title='Biochemical and structural characterization of t...nsferase from the bdelloid rotifer Adineta vaga. ')
   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 = '0003677,0008170,0009307,0015667', uniprot = '', pdbid = '8s9n', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003677,0008170,0009307,0015667', uniprot='', pdbid='8s9n', 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>