Structure of PDB 8baw Chain B Binding Site BS02

Receptor Information
>8baw Chain B (length=276) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EMTIKHQLGEAKVKKNPEKVVVFDFGVLDTLDKLGVKVTALPQMNVPKYL
EKYKSSDYQNVGSLMEPDFEKLSEIKPDVIFISGRQANLYDKLKEIGPTV
YIGIDTQHYWDSFTNNMKLIGQMFGKEKEVDEELANIEKQIEEVKTKAAD
KKALIILTTGGKVSAYGKGSRFGLIHDVLGVPAADPNLKVTNPHGQSVSF
EYIAEKNPDYLFVIDRDAVVEGKPTAKQTIENALVKKTKAYQNGHIVYLD
PNYWYLSGGGLTSVSEMIKQVEEGLK
Ligand information
Ligand ID5LC
InChIInChI=1S/C19H22N2O6/c22-14-8-4-6-12(16(14)24)18(26)20-10-2-1-3-11-21-19(27)13-7-5-9-15(23)17(13)25/h4-9,22-25H,1-3,10-11H2,(H,20,26)(H,21,27)
InChIKeyBRWLZTCRFJVZDD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(c1cccc(O)c1O)NCCCCCNC(=O)c2cccc(O)c2O
OpenEye OEToolkits 1.7.6c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O
CACTVS 3.385Oc1cccc(C(=O)NCCCCCNC(=O)c2cccc(O)c2O)c1O
FormulaC19 H22 N2 O6
NameN,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide)
ChEMBLCHEMBL494328
DrugBank
ZINCZINC000040431154
PDB chain8baw Chain B Residue 402 [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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PDB8baw Thermostable homologues of the periplasmic siderophore-binding protein CeuE from Geobacillus stearothermophilus and Parageobacillus thermoglucosidasius.
Resolution1.471 Å
Binding residue
(original residue number in PDB)		M89 R109 R195 P217 H218 R240 Y279
Binding residue
(residue number reindexed from 1)		M65 R85 R171 P193 H194 R216 Y255
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 21:47:26 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 = '8baw', asym_id = 'B', bs = 'BS02', title = 'Thermostable homologues of the periplasmic sider...ophilus and Parageobacillus thermoglucosidasius. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8baw', asym_id='B', bs='BS02', title='Thermostable homologues of the periplasmic sider...ophilus and Parageobacillus thermoglucosidasius. ')
   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 = '0006826', uniprot = '', pdbid = '8baw', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0006826', uniprot='', pdbid='8baw', 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>