Structure of PDB 4rdq Chain E Binding Site BS05

Receptor Information
>4rdq Chain E (length=366) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVTYTNRVADARLGTFSQLLLQWKGSIYKLLYSEFLIFISLYFAISLVYR
LILSESQRLMFEKLALYCNSYAELIPVSFVLGFYVSLVVSRWWAQYESIP
WPDRIMNLVSCNVDGEDEYGRLLRRTLMRYSNLCSVLILRSVSTAVYKRF
PSMEHVVRAGLMTPEEHKKFESLNSPHNKFWIPCVWFSNLAVKARNEGRI
RDSVLLQGILNELNTLRSQCGRLYGYDWISIPLVYTQVVTVAVYSFFLAC
LIGRQFLDPEKAYPGHELDLFVPVFTFLQFFFYAGWLKVAEQLINPFGED
DDDFETNWLIDRNLQVSLMAVDEMHQDLPILEKDLYWNEPDPQPPYTAAT
AEYKRPSFLGSTFDIS
Ligand information
Ligand IDC6N
InChIInChI=1S/C47H84O22/c48-19-27-31(52)33(54)37(58)45(64-27)68-41-29(21-50)66-43(39(60)35(41)56)62-23-47(17-9-7-15-25-11-3-1-4-12-25,18-10-8-16-26-13-5-2-6-14-26)24-63-44-40(61)36(57)42(30(22-51)67-44)69-46-38(59)34(55)32(53)28(20-49)65-46/h25-46,48-61H,1-24H2/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m1/s1
InChIKeyIBVSQWFQEONEKZ-VWHTXWAPSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCC(CCCCC3CCCCC3)(CCCCC4CCCCC4)CO[C@@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
C1CCC(CC1)CCCCC(CCCCC2CCCCC2)(CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O
CACTVS 3.385OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCC(CCCCC3CCCCC3)(CCCCC4CCCCC4)CO[CH]5O[CH](CO)[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH](O)[CH]5O)O[CH]2CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C1CCC(CC1)CCCCC(CCCCC2CCCCC2)(COC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)COC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)O)O)O)O
ACDLabs 12.01O(CC(CCCCC1CCCCC1)(CCCCC2CCCCC2)COC4OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)C6OC(C(OC5OC(CO)C(O)C(O)C5O)C(O)C6O)CO
FormulaC47 H84 O22
Name6-cyclohexyl-2-(4-cyclohexylbutyl)-2-({[4-O-(alpha-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}methyl)hexyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
ChEMBL
DrugBank
ZINC
PDB chain4rdq Chain E Residue 507 [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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PDB4rdq Structure and insights into the function of a Ca(2+)-activated Cl(-) channel.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		D11 T16 Q19
Binding residue
(residue number reindexed from 1)		D10 T15 Q18
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Nov 26 08:40:17 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 = '4rdq', asym_id = 'E', bs = 'BS05', title = 'Structure and insights into the function of a Ca(2+)-activated Cl(-) channel.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4rdq', asym_id='E', bs='BS05', title='Structure and insights into the function of a Ca(2+)-activated Cl(-) channel.')
   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 = '0005254', uniprot = '', pdbid = '4rdq', asym_id = 'E'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005254', uniprot='', pdbid='4rdq', asym_id='E')
    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>