Structure of PDB 3n9s Chain B Binding Site BS03

Receptor Information
>3n9s Chain B (length=295) Species: 290847 (Helicobacter pylori 51) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLVKGNEILLKAHKEGYGVGAFNFVNFEMLNAIFEAGNEENSPLFIQASE
GAIKYMGIDMAVGMVKIMCERYPHIPVALHLDHGTTFESCEKAVKAGFTS
VMIDASHHAFEENLELTSKVVKMAHNAGVSVEAELGRLMAVLVNPKEAEQ
FVKESQVDYLAPAIGTSHGAFKFKGEPKLDFERLQEVKRLTNIPLVLHGA
SAIPDNVRKSYLDAGGDLKGSKGVPFEFLQESVKGGINKVNTDTDLRIAF
IAEVRKVANEDKSQFDLRKFFSPAQLALKNVVKERMKLLGSANKI
Ligand information
Ligand IDTD4
InChIInChI=1S/C6H15NO10P2/c8-6(5-17-19(13,14)15)7(9)3-1-2-4-16-18(10,11)12/h9H,1-5H2,(H2,10,11,12)(H2,13,14,15)
InChIKeyGZQWGEFAYHQQKX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CCOP(=O)(O)O)CN(C(=O)COP(=O)(O)O)O
CACTVS 3.370ON(CCCCO[P](O)(O)=O)C(=O)CO[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)OCC(=O)N(O)CCCCOP(=O)(O)O
FormulaC6 H15 N O10 P2
Name4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate
ChEMBLCHEMBL1236228
DrugBank
ZINCZINC000058638510
PDB chain3n9s Chain B Residue 311 [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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PDB3n9s Rational Design, Synthesis, and Evaluation of New Selective Inhibitors of Microbial Class II (Zinc Dependent) Fructose Bis-phosphate Aldolases.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		N23 S49 D82 H83 H180 G181 K184 H210 G211 S213 N253 D255 T256
Binding residue
(residue number reindexed from 1)		N23 S49 D82 H83 H168 G169 K172 H198 G199 S201 N241 D243 T244
Annotation score2
Binding affinityMOAD: Ki=0.07uM
PDBbind-CN: -logKd/Ki=5.26,Kd=5.5uM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Nov 28 02:15:41 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 = '3n9s', asym_id = 'B', bs = 'BS03', title = 'Rational Design, Synthesis, and Evaluation of Ne...inc Dependent) Fructose Bis-phosphate Aldolases. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3n9s', asym_id='B', bs='BS03', title='Rational Design, Synthesis, and Evaluation of Ne...inc Dependent) Fructose Bis-phosphate Aldolases. ')
   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 = '0004332,0005975,0006096,0008270,0016832,0030388', uniprot = '', pdbid = '3n9s', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004332,0005975,0006096,0008270,0016832,0030388', uniprot='', pdbid='3n9s', asym_id='B')
    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>