Structure of PDB 6o6r Chain A Binding Site BS01

Receptor Information

>6o6r Chain A (length=833) Species: 9157 (Parus major)

KRGKYIRLSTLYDLMTQHWHLKTPNLVISVTGGAKNFALKPRMRKIFSRL
IYIAQSKGAWIFTGGTHYGLMKYIGEVVRDNTISNVVAIGIAPLYCLDNN
HTHLLLTTEAKVRTQLEKYISERVIPESNYGGKIPIVCFAQGGGKETLKS
INVAIKSKIPCVVVEGSGRIADVIASLVEAEGTLASSCVKESLLRFLPRT
ISRLSEEETESWIKWIKEVLESPHLLTVIKIEEAGDEIVSNAISFALYKA
FSTNEHDRDNWNGQLKLLLEWNQLDLASDEIFTNDRNWESADLQDVMFTA
LVKDRPKFVRLFLENGLNLRKFLTTEVLRELYTNNFSSLVFKNLQIAKNS
YNDALLTFVWKMVEDFRRGRHPLQALFIWSVLQNKKELSKVIWEQTRGCT
LAALGASKLLKSMAKVKNDINAAGESEELANEYETRAVELFTECYSNDED
LAEQLLTYSCEAWGGSNCLELAVEARDQQFIAQPGVQNFLSKQWYGEISR
DTKNWKIIMCLFFFPLIGCGFISFRFLYYVSFFTSPFVVFSWNVIFYIAF
LLLFAYVLLMDFQKEPTALEIILYVLVFVLLCDEVRQWYMNGSKYFSDLW
NVMDTLAIFYFIAGIVFRLHSDESSWYSGRVIFCLDYIVFTLRLIHIFTV
SRNLGPKIIMLQRMMIDVFFFLFLFAVWMVAFGVARQGILRKNEHRWEWI
FRSVIYEPYLAMFFPEWITIPLVCIYMLSTNILLVNLLVAMFGYTVGNND
QVWKFQRFFLVQEYCSRLTIPFPFVIFANEILAWEAVMKENYLVKINTKA
NDSSEEMVHRFRQLDAKLSDLKGLLKEISSKIK

Ligand information

• Ligand ID: Y01
• InChI: InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
• InChIKey: WLNARFZDISHUGS-MIXBDBMTSA-N
• SMILES:
  CACTVS 3.352: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
  OpenEye OEToolkits 1.6.1: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
  OpenEye OEToolkits 1.6.1: CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
  CACTVS 3.352: CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
• Formula: C31 H50 O4
• Name: CHOLESTEROL HEMISUCCINATE
• ZINC: ZINC000058638837
• PDB chain: 6o6r Chain A Residue 1301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6o6r Structural insights into TRPM8 inhibition and desensitization.
• Resolution: 3.2 Å
• Binding residue (original residue number in PDB): W673 I687 F726 F729 S840 R988
• Binding residue (residue number reindexed from 1): W494 I508 F537 F540 S651 R757
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Fri Nov 15 17:28:29 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 = '6o6r', asym_id = 'A', bs = 'BS01', title = 'Structural insights into TRPM8 inhibition and desensitization.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6o6r', asym_id='A', bs='BS01', title='Structural insights into TRPM8 inhibition and desensitization.')

   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 = '0005216,0006811,0016020,0055085', uniprot = '', pdbid = '6o6r', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005216,0006811,0016020,0055085', uniprot='', pdbid='6o6r', asym_id='A')

    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>