Structure of PDB 6qa9 Chain B9 Binding Site BS01

Receptor Information
>6qa9 Chain B9 (length=176) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FLPSAAYLTHQQKVLQLYKRALRHLESRCVHRDKYRYFACLLRARFDEHK
NEKDMVKATQLLREAEKEFWHGQHPQPYIFPESPGGTSYERYECYKVPEW
CLDDWHPSEKAMYPDYFAKREQWKKLRRESWEREVKQLQEETPVGGPRTE
ALPPARKQGDLPPLWWHIVTRPRERP
Ligand information
Ligand IDZMP
InChIInChI=1S/C25H49N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(29)37-19-18-26-21(28)16-17-27-24(31)23(30)25(2,3)20-35-36(32,33)34/h23,30H,4-20H2,1-3H3,(H,26,28)(H,27,31)(H2,32,33,34)/t23-/m1/s1
InChIKeyHDTINWYIVVMRIN-HSZRJFAPSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.5CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O
ACDLabs 12.01OP(=O)(OCC(C(C(NCCC(=O)NCCSC(=O)CCCCCCCCCCCCC)=O)O)(C)C)O
CACTVS 3.385CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.5CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O
FormulaC25 H49 N2 O8 P S
NameS-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate
ChEMBL
DrugBank
ZINCZINC000145431082
PDB chain6qa9 Chain B9 Residue 201 [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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PDB6qa9 Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Resolution4.1 Å
Binding residue
(original residue number in PDB)		H11 Q12 H50 K51 A66
Binding residue
(residue number reindexed from 1)		H10 Q11 H49 K50 A65
Annotation score1
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Wed Nov 27 04:58:23 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 = '6qa9', asym_id = 'B9', bs = 'BS01', title = 'Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6qa9', asym_id='B9', bs='BS01', title='Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.')
   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 = '0006120', uniprot = '', pdbid = '6qa9', asym_id = 'B9'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0006120', uniprot='', pdbid='6qa9', asym_id='B9')
    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>