Structure of PDB 6nr2 Chain C Binding Site BS01

Receptor Information
>6nr2 Chain C (length=859) Species: 59894 (Ficedula albicollis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAAAAAAAAAAAAAAAAAAAAKYIRLSCDTDSETLYDLMTQHWHLKTPNL
VISVKNFALKPRMRKIFSRLIYIAQSKGAWIFTGGTHYGLMKYIGEVVRD
NTISRSSEENVVAIRDPLYCLDNNHTHLLLVIEAKVRTQLEKYISERVIP
ESNYGGKIPIVCFAQGKETLKSINVAIKSKIPCVVVEGSGRIADVIASLV
SSCVKESLLRFLPRTISRLSEEETESWIKWIKEVLESPHLLTVIKIEEIV
SNAISFALYKAFSTNEHDRDNWNGQLKLLLEWNQLDLASDEIFTNDRNWE
SADLQDVMFTALVKDRPKFVRLFLENGLNLRKFLTTEVLRELYTNNFSSL
VFKNLQIAKNSYNDALLTFVWKMVEDFRRPITRHPLQALFIWSVLQNKKE
LSKVIWEQTRGCTLAALGASKLLKSMAKVKNDINAAGESEELANEYETRA
VELFTECYSNDEDLAEQLLTYSCEAWGGSNCLELAVEARDQQFIAQPGVQ
NFLSKQWYGEISRDTKNWKIILCLFFFPLIGCGFISFRKKKLFLYYVSFF
TSPFVVFSWNVIFYIAFLLLFAYVLLMDFQKEPTALEIILYVLVFILLCD
EVRQWYMNGSKYFSDLWNVMDTLAIFYFIAGIVFRLHSDESSWYSGRVIF
CLDYIVFTLRLIHIFTVSRNLGPKIIMLQRMMIDVFFFLFLFAVWMVAFG
VARQGILRKNEHRWEWIFRSVIYEPYLAMFGEWITIPLVCIYMLSTNILL
VNLLVAMFGYTVGNNDQVWKFQRFFLVQEYCSRLTIPFPFVIFAYIFMVM
RKEPSVCCSRNEDNEILAWEAVMKENYLVKINTKAAAAAAAAAAAAAAAA
AAAAAAAAA
Ligand information
Ligand IDKXP
InChIInChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/t39-,42+,43-,44-,45+,46+,47+/m0/s1
InChIKeyCNWINRVXAYPOMW-AUBJPSKUSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
ACDLabs 12.01C(OC(CCCCCCCCCCCCCCCCC)=O)C(COP(=O)(O)OC1C(O)C(C(C(C1O)OP(O)(O)=O)OP(O)(O)=O)O)OC(=O)CCC\C=C\C\C=C\C\C=C\C\C=C\CCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
FormulaC47 H85 O19 P3
Name(2S)-1-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl icosa-5,8,11,14-tetraenoate
ChEMBL
DrugBank
ZINC
PDB chain6nr2 Chain C Residue 1301 [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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PDB6nr2 Structural basis of cooling agent and lipid sensing by the cold-activated TRPM8 channel.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		N692 F735
Binding residue
(residue number reindexed from 1)		N517 F554
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 20:46:05 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 = 'C', bs = 'BS01', 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='C', bs='BS01', 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 = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005216,0006811,0016020,0055085', uniprot='', pdbid='6nr2', asym_id='C')
    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>