Structure of PDB 6hly Chain A Binding Site BS01

Receptor Information
>6hly Chain A (length=320) Species: 1435057 (Agrobacterium tumefaciens LBA4213 (Ach5)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMMADLVISSYGGSFQDAQTKAYFDPYAKASGVKVTGTTGTGYAKVKAMV
ESGNVTWDVISAESPAFASEVKDGLLEPIDYSVVKADNVPENFRTKYGVG
YMVFGTNLAWNKDKFPNGVTPAQFFDPNVKGRRVLPSDATYSLEFALMGD
GVKPADLYPLDVKRALKVIDRVKDQVIGYKGASDIQALMQQGEADIVYAG
TGRIKNAIKAGANWSYSWEGALADTEYWAVPKGAPHAAEAMKFINFAVQA
EPQAELTRVIAYGPTNVDALRLLDPAVAKDLPSYPANAKLGAVLNSKWWN
DNYDAVKAEWTTYIMQHHHH
Ligand information
Ligand IDG9Z
InChIInChI=1S/C11H17NO8/c13-4-7(15)10(18)9(17)6(14)3-12-5(11(19)20)1-2-8(12)16/h1-2,5-7,9-10,13-15,17-18H,3-4H2,(H,19,20)/t5-,6+,7+,9+,10+/m0/s1
InChIKeyWYIHPABVKQQJFB-SZWOQXJISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1=CC(=O)N(C1C(=O)O)CC(C(C(C(CO)O)O)O)O
CACTVS 3.385OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CN1[C@@H](C=CC1=O)C(O)=O
CACTVS 3.385OC[CH](O)[CH](O)[CH](O)[CH](O)CN1[CH](C=CC1=O)C(O)=O
OpenEye OEToolkits 2.0.6C1=CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
FormulaC11 H17 N O8
Nameagropinic acid
ChEMBL
DrugBank
ZINC
PDB chain6hly Chain A Residue 410 [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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PDB6hly Structural basis for two efficient modes of agropinic acid opine import into the bacterial pathogenAgrobacterium tumefaciens.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		Y37 F41 E89 M128 F130 A208 R229 E252 Y288
Binding residue
(residue number reindexed from 1)		Y11 F15 E63 M102 F104 A182 R203 E226 Y262
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=7.33,Kd=47nM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Nov 25 01:08:48 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 = '6hly', asym_id = 'A', bs = 'BS01', title = 'Structural basis for two efficient modes of agro... the bacterial pathogenAgrobacterium tumefaciens.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6hly', asym_id='A', bs='BS01', title='Structural basis for two efficient modes of agro... the bacterial pathogenAgrobacterium tumefaciens.')
   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 = '0015846,0019808,0042597', uniprot = '', pdbid = '6hly', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0015846,0019808,0042597', uniprot='', pdbid='6hly', 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>