Structure of PDB 7ooa Chain F Binding Site BS02

Receptor Information

>7ooa Chain F (length=262) Species: 409438 (Escherichia coli SE11)

ANQALLLSYAVNIVAALAIIIVGLIIARMISNAVNRLMISRKIDATVADF
LSALVRYGIIAFTLIAALGRVGVQTASVIAVLGAAGLAVGLALQGSLSNL
AAGVLLVMFRPFRAGEYVDLGGVAGTVLSVQIFSTTMRTADGKIIVIPNG
KIIAGNIINFSREPVRRNEFIIGVAYDSDIDQVKQILTNIIQSEDRILKD
REMTVRLNELGASSINFVVRVWSNSGDLQNVYWDVLERIKREFDAAGISF
PYPQMDVNFKRV

Ligand information

• Ligand ID: AV0
• InChI: InChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m1/s1
• InChIKey: MADJBYLAYPCCOO-VWHTXWAPSA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: CCCCCCCCCCC(CCCCCCCCCC)(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)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
  ACDLabs 12.01: C2(C(C(O)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O2)O)OCC(CCCCCCCCCC)(CCCCCCCCCC)COC4OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O
  CACTVS 3.385: CCCCCCCCCCC(CCCCCCCCCC)(CO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)CO[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
  CACTVS 3.385: CCCCCCCCCCC(CCCCCCCCCC)(CO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O)CO[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O
  OpenEye OEToolkits 2.0.6: CCCCCCCCCCC(CCCCCCCCCC)(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)COC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O
• Formula: C47 H88 O22
• Name: Lauryl Maltose Neopentyl Glycol;
  2,2-didecylpropane-1,3-bis-b-D-maltopyranoside;
  2-decyl-2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}dodecyl4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
• PDB chain: 7ooa Chain F Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7ooa Mechanosensitive channel gating by delipidation.
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): Y75 A110
• Binding residue (residue number reindexed from 1): Y57 A92
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sat Nov 16 02:29:36 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 = '7ooa', asym_id = 'F', bs = 'BS02', title = 'Mechanosensitive channel gating by delipidation.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7ooa', asym_id='F', bs='BS02', title='Mechanosensitive channel gating by delipidation.')

   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 = '0008381,0016020,0055085', uniprot = '', pdbid = '7ooa', asym_id = 'F'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008381,0016020,0055085', uniprot='', pdbid='7ooa', asym_id='F')

    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>