Structure of PDB 4pbq Chain C Binding Site BS01

Receptor Information
>4pbq Chain C (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 C 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 E105 R148 R168 P170 F175 N208
Binding residue
(residue number reindexed from 1)		Y9 E49 G67 L68 E81 R124 R144 P146 F151 N184
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Feb 20 04:53:06 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>()
   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 = '4pbq', asym_id = 'C', 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='C', bs='BS01', title='Experimental strategies for functional annotatio...ng proteins and unbiased panning of metabolomes. ')
   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 = '0030288,0055085', uniprot = '', pdbid = '4pbq', asym_id = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0030288,0055085', uniprot='', pdbid='4pbq', asym_id='C')
    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>