Structure of PDB 3n9r Chain B Binding Site BS02

Receptor Information
>3n9r Chain B (length=297) Species: 290847 (Helicobacter pylori 51) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLVKGNEILLKAHKEGYGVGAFNFVNFEMLNAIFEAGNEENSPLFIQASE
GAIKYMGIDMAVGMVKIMCERYPHIPVALHLDHGTTFESCEKAVKAGFTS
VMIDASHHAFEENLELTSKVVKMAHNAGVSVEAELGRLMGIAVLVNPKEA
EQFVKESQVDYLAPAIGTSHGAFKFKGEPKLDFERLQEVKRLTNIPLVLH
GASAIPDNVRKSYLDAGGDLKGSKGVPFEFLQESVKGGINKVNTDTDLRI
AFIAEVRKVANEDKSQFDLRKFFSPAQLALKNVVKERMKLLGSANKI
Ligand information
Ligand IDTD3
InChIInChI=1S/C6H14NO7P/c8-4-2-1-3-7(10)6(9)5-14-15(11,12)13/h8,10H,1-5H2,(H2,11,12,13)
InChIKeyXYJLIJWOOPZDNB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OCCCCN(O)C(=O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0C(CCO)CN(C(=O)COP(=O)(O)O)O
ACDLabs 12.01O=P(OCC(=O)N(O)CCCCO)(O)O
FormulaC6 H14 N O7 P
Name2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydrogen phosphate
ChEMBLCHEMBL1236227
DrugBank
ZINCZINC000058638509
PDB chain3n9r 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3n9r Rational Design, Synthesis, and Evaluation of New Selective Inhibitors of Microbial Class II (Zinc Dependent) Fructose Bis-phosphate Aldolases.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H83 H180 G181 K184 H210 G211 S213 N253 D255 T256
Binding residue
(residue number reindexed from 1)		H83 H170 G171 K174 H200 G201 S203 N243 D245 T246
Annotation score2
Binding affinityMOAD: Ki=5.5uM
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 01:55:46 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 = '3n9r', asym_id = 'B', bs = 'BS02', title = 'Rational Design, Synthesis, and Evaluation of Ne...inc Dependent) Fructose Bis-phosphate Aldolases. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3n9r', asym_id='B', bs='BS02', 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 = '3n9r', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004332,0005975,0006096,0008270,0016832,0030388', uniprot='', pdbid='3n9r', 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>