Structure of PDB 6nr2 Chain A Binding Site BS02

Receptor Information

>6nr2 Chain A (length=859) Species: 59894 (Ficedula albicollis)

AAAAAAAAAAAAAAAAAAAAAKYIRLSCDTDSETLYDLMTQHWHLKTPNL
VISVKNFALKPRMRKIFSRLIYIAQSKGAWIFTGGTHYGLMKYIGEVVRD
NTISRSSEENVVAIRDPLYCLDNNHTHLLLVIEAKVRTQLEKYISERVIP
ESNYGGKIPIVCFAQGKETLKSINVAIKSKIPCVVVEGSGRIADVIASLV
SSCVKESLLRFLPRTISRLSEEETESWIKWIKEVLESPHLLTVIKIEEIV
SNAISFALYKAFSTNEHDRDNWNGQLKLLLEWNQLDLASDEIFTNDRNWE
SADLQDVMFTALVKDRPKFVRLFLENGLNLRKFLTTEVLRELYTNNFSSL
VFKNLQIAKNSYNDALLTFVWKMVEDFRRPITRHPLQALFIWSVLQNKKE
LSKVIWEQTRGCTLAALGASKLLKSMAKVKNDINAAGESEELANEYETRA
VELFTECYSNDEDLAEQLLTYSCEAWGGSNCLELAVEARDQQFIAQPGVQ
NFLSKQWYGEISRDTKNWKIILCLFFFPLIGCGFISFRKKKLFLYYVSFF
TSPFVVFSWNVIFYIAFLLLFAYVLLMDFQKEPTALEIILYVLVFILLCD
EVRQWYMNGSKYFSDLWNVMDTLAIFYFIAGIVFRLHSDESSWYSGRVIF
CLDYIVFTLRLIHIFTVSRNLGPKIIMLQRMMIDVFFFLFLFAVWMVAFG
VARQGILRKNEHRWEWIFRSVIYEPYLAMFGEWITIPLVCIYMLSTNILL
VNLLVAMFGYTVGNNDQVWKFQRFFLVQEYCSRLTIPFPFVIFAYIFMVM
RKEPSVCCSRNEDNEILAWEAVMKENYLVKINTKAAAAAAAAAAAAAAAA
AAAAAAAAA

Ligand information

• Ligand ID: KXS
• InChI: InChI=1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)18(20)19-14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16+,17-/m1/s1
• InChIKey: HNSGVPAAXJJOPQ-XOKHGSTOSA-N
• SMILES:
  CACTVS 3.385: COc1ccc(NC(=O)[CH]2C[CH](C)CC[CH]2C(C)C)cc1
  ACDLabs 12.01: c1c(ccc(c1)OC)NC(C2C(CCC(C)C2)C(C)C)=O
  CACTVS 3.385: COc1ccc(NC(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1
  OpenEye OEToolkits 2.0.7: C[C@@H]1CC[C@H]([C@@H](C1)C(=O)Nc2ccc(cc2)OC)C(C)C
  OpenEye OEToolkits 2.0.7: CC1CCC(C(C1)C(=O)Nc2ccc(cc2)OC)C(C)C
• Formula: C18 H27 N O2
• Name: (1R,2S,5R)-N-(4-methoxyphenyl)-5-methyl-2-(propan-2-yl)cyclohexane-1-carboxamide
• ChEMBL: CHEMBL2441929
• ZINC: ZINC000034499085
• PDB chain: 6nr2 Chain A Residue 1302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6nr2 Structural basis of cooling agent and lipid sensing by the cold-activated TRPM8 channel.
• Resolution: 4.0 Å
• Binding residue (original residue number in PDB): Y745 R841 I845 Y1004 R1007
• Binding residue (residue number reindexed from 1): Y564 R660 I664 Y780 R783
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sat Nov 16 14:53:32 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 = '6nr2', asym_id = 'A', bs = 'BS02', title = 'Structural basis of cooling agent and lipid sensing by the cold-activated TRPM8 channel.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6nr2', asym_id='A', bs='BS02', title='Structural basis of cooling agent and lipid sensing by the cold-activated TRPM8 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 = '0005216,0006811,0016020,0055085', uniprot = '', pdbid = '6nr2', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005216,0006811,0016020,0055085', uniprot='', pdbid='6nr2', 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>