Structure of PDB 2y1g Chain A Binding Site BS01

Receptor Information
>2y1g Chain A (length=374) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRLRVVVLGSTGSIGTQALQVIADNPDRFEVVGLAAGGAHLDTLLRQRAQ
TGVTNIAVADEHAAQRVGDIPYHGSDAATRLVEQTEADVVLNALVGALGL
RPTLAALKTGARLALANKESLVAGGSLVLRAARPGQIVPVDSEHSALAQC
LRGGTPDEVAKLVLTASGGPFRGWSAADLEHVTPEQAGSMGPMNTLNSAS
LVNKGLEVIETHLLFGIPYDRIDVVVHPQSIIHSMVTFIDGSTIAQASPP
DMKLPISLALGWPRRVSGAAAACDFHTASSWEFEPLDTDVFPAVELARQA
GVAGGCMTAVYNAANEEAAAAFLAGRIGFPAIVGIIADVLHAADQWAVEP
ATVDDVLDAQRWARERAQRAVSGM
Ligand information
Ligand IDFM5
InChIInChI=1S/C11H14Cl2NO5P/c1-7(15)14(16)5-4-11(20(17,18)19)8-2-3-9(12)10(13)6-8/h2-3,6,11,16H,4-5H2,1H3,(H2,17,18,19)/t11-/m0/s1
InChIKeyABGCTQYLJZGMBM-NSHDSACASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1CC(=O)N(CCC(c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O
OpenEye OEToolkits 1.6.1CC(=O)N(CC[C@@H](c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O
CACTVS 3.352CC(=O)N(O)CC[C@@H](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O
CACTVS 3.352CC(=O)N(O)CC[CH](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O
FormulaC11 H14 Cl2 N O5 P
Name3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID
ChEMBL
DrugBank
ZINCZINC000028572273
PDB chain2y1g Chain A Residue 1390 [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]
PDB2y1g Design, Synthesis and X-Ray Crystallographic Studies of Alpha-Aryl Substituted Fosmidomycin Analogues as Inhibitors of Mycobacterium Tuberculosis 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D151 A176 S177 S213 N218 K219 S245 P265
Binding residue
(residue number reindexed from 1)		D141 A166 S167 S198 N203 K204 S230 P250
Annotation score1
Binding affinityMOAD: ic50=0.7uM
PDBbind-CN: -logKd/Ki=6.15,IC50=0.7uM
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 29 20:23:04 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 = '2y1g', asym_id = 'A', bs = 'BS01', title = 'Design, Synthesis and X-Ray Crystallographic Stu... 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='2y1g', asym_id='A', bs='BS01', title='Design, Synthesis and X-Ray Crystallographic Stu... 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase ')
   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 = '0008299,0030604,0046872,0070402', uniprot = '', pdbid = '2y1g', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008299,0030604,0046872,0070402', uniprot='', pdbid='2y1g', 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>