Structure of PDB 4pbq Chain A Binding Site BS01

Receptor Information
>4pbq Chain A (length=304) Species: 656912 (Haemophilus influenzae RdAW) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTIIKLGHYNSDIHPSHIALQEYFKKTIENETNHKYEIRLYPNNQLGGED
QIVNGLRNGTIEAGITGLLLQNVDPIFGVWEWPYLFKDNQEAKKVLESPI
ANKIGQKMEKYGIKLLAYGMNGFRVISSNKKLEKFDDFKGLRLRVPLNSL
FVDWAKAMNINPQSMPLSEVFTALEQKVIDGQENPYMLIKDSGLYEVQKY
IIQSNHIFSPGLLQISLKTWNKIPKEDQIIFEKAAKLYQEKEWELAIKTE
LEVKDYLAKHGNEIIVPSEAFKNDMVNASKVLYDSFYKKYDWAKDVVQKI
NEAK
Ligand information
Ligand ID2UF
InChIInChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4-,5-/m0/s1
InChIKeyRGHNJXZEOKUKBD-QTBDOELSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(C(C(C(C(C(=O)O)O)O)O)O)O
OpenEye OEToolkits 1.9.2C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O
CACTVS 3.385OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
CACTVS 3.385OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O
ACDLabs 12.01O=C(O)C(O)C(O)C(O)C(O)CO
FormulaC6 H12 O7
NameL-gulonate
ChEMBL
DrugBankDB04304
ZINCZINC000003869787
PDB chain4pbq Chain A Residue 401 [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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PDB4pbq Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		Y33 E73 G91 L92 L93 E105 R148 R168 P170 F175 N208
Binding residue
(residue number reindexed from 1)		Y9 E49 G67 L68 L69 E81 R124 R144 P146 F151 N184
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun May 4 16:09:35 2025

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>()
   1463     title=pdb2title(pdbid)
   1464     if bs.startswith("BS"):
=> 1465         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)
   1466     else:
   1467         if lig3:
pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '4pbq', asym_id = 'A', bs = 'BS01', title = 'Experimental strategies for functional annotatio...ng proteins and unbiased panning of metabolomes. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4pbq', asym_id='A', bs='BS01', title='Experimental strategies for functional annotatio...ng proteins and unbiased panning of metabolomes. ')
   1323         display_ec(ec,csaOrig,csaRenu)
   1324     if go:
=> 1325         display_go(go,uniprot,pdbid,asym_id)
   1326     return pubmed,uniprot
   1327 
global display_go = <function display_go>, go = '0030288,0055085', uniprot = '', pdbid = '4pbq', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0030288,0055085', uniprot='', pdbid='4pbq', asym_id='A')
    481         '''.replace("$namespace_link",namespace_link
    482           ).replace("$namespace",namespace
=>  483           ).replace("$uniprot",u
    484         ))
    485         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>