Structure of PDB 6n4i Chain C Binding Site BS01

Receptor Information
>6n4i Chain C (length=226) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMYLRITNIVESSFFTKFIIYLIVLNTLFMAMEHHPMTEEFKNVLAIGN
LVFTGIFAIEIILRIYVHRISFFKDPWSLFDSLIVTLSLVELFLADVEGL
SVLRSFRLLRVFRLVTAVPQMRKIVSALISVIPGMLSVIALMTLFFYIFA
IMATQLFGERFPEWFGTLGESFYTLFQVMTLESWSMGIVRPLMEVYPYAW
VFFIPFIFVVTFVMINLVVAICVDAM
Ligand information
Ligand ID6OU
InChIInChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
InChIKeyFHQVHHIBKUMWTI-OTMQOFQLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
FormulaC39 H76 N O8 P
Name[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
ChEMBL
DrugBank
ZINCZINC000008437520
PDB chain6n4i Chain C Residue 1001 [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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PDB6n4i Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Resolution3.541 Å
Binding residue
(original residue number in PDB)		M861 F865 G888 E889 F891
Binding residue
(residue number reindexed from 1)		M142 F146 G169 E170 F172
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 23:21:22 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 = '6n4i', asym_id = 'C', bs = 'BS01', title = 'Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6n4i', asym_id='C', bs='BS01', title='Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.')
   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 = '0005216,0005261,0005886,0006811,0016020,0055085', uniprot = '', pdbid = '6n4i', asym_id = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005216,0005261,0005886,0006811,0016020,0055085', uniprot='', pdbid='6n4i', 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>