Structure of PDB 6o72 Chain A Binding Site BS02

Receptor Information

>6o72 Chain A (length=858) Species: 9157 (Parus major)

DIQFGKYIRLSCDTDSETLYDLMTQHWHLKTPNLVISVTGGAKNFALKPR
MRKIFSRLIYIAQSKGAWIFTGGTHYGLMKYIGEVVRDNTISRSNVVAIG
IAAWGMISNRETLLARYIMDDLKRDPLYCLDNNHTHLLLTTEAKVRTQLE
KYISERVIPESNYGGKIPIVCFAQGGGKETLKSINVAIKSKIPCVVVEGS
GRIADVIASLVSSCVKESLLRFLPRTISRLSEEETESWIKWIKEVLESPH
LLTVIKIEEAGDEIVSNAISFALYKAFSTNEHDRDNWNGQLKLLLEWNQL
DLASDEIFTNDRNWESADLQDVMFTALVKDRPKFVRLFLENGLNLRKFLT
TEVLRELYTNNFSSLVFKNLQIAKNSYNDALLTFVWKMVEDFRRGRHPLQ
ALFIWSVLQNKKELSKVIWEQTRGCTLAALGASKLLKSMAKVKNDINAAG
ESEELANEYETRAVELFTECYSNDEDLAEQLLTYSCEAWGGSNCLELAVE
ARDQQFIAQPGVQNFLSKQWYGEISRDTKNWKIIMCLFFFPLIGCGFISF
RFLYYVSFFTSPFVVFSWNVIFYIAFLLLFAYVLLMDFQKEPTALEIILY
VLVFVLLCDEVRQWYMNGSKYFSDLWNVMDTLAIFYFIAGIVFRLHSDES
SWYSGRVIFCLDYIVFTLRLIHIFTVSRNLGPKIIMLQRMMIDVFFFLFL
FAVWMVAFGVARQGILREWIFRSVIYEPYLAMFFPEWITIPLVCIYMLST
NILLVNLLVAMFGYTVGNNDQVWKFQRFFLVQEYCSRLTIPFPFVIFAYI
FMVNEILAWEAVMKENYLVKINTKANDSSEEMVHRFRQLDAKLSDLKGLL
KEISSKIK

Ligand information

• Ligand ID: T14
• InChI: InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)
• InChIKey: VSMFCZZEKTVDHM-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: FC(F)(F)c1cc(cc2nc([nH]c12)C3=NOC4(CCCCC4)C3)c5ccccc5C(F)(F)F
  ACDLabs 12.01: C(F)(F)(c1ccccc1c5cc(C(F)(F)F)c4nc(C=2CC3(ON=2)CCCCC3)nc4c5)F
  OpenEye OEToolkits 2.0.7: c1ccc(c(c1)c2cc(c3c(c2)nc([nH]3)C4=NOC5(C4)CCCCC5)C(F)(F)F)C(F)(F)F
• Formula: C23 H19 F6 N3 O
• Name: 3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene
• ChEMBL: CHEMBL1650511
• ZINC: ZINC000066100415
• PDB chain: 6o72 Chain A Residue 1305

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6o72 Structural insights into TRPM8 inhibition and desensitization.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): F729 Y736 L769 D793 R832 I836 V839 S840 L843 Y995
• Binding residue (residue number reindexed from 1): F566 Y573 L606 D630 R669 I673 V676 S677 L680 Y784
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Fri Nov 15 22:58:01 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 = '6o72', asym_id = 'A', bs = 'BS02', title = 'Structural insights into TRPM8 inhibition and desensitization.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6o72', asym_id='A', bs='BS02', 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 = '6o72', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005216,0006811,0016020,0055085', uniprot='', pdbid='6o72', 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>