Structure of PDB 6zkk Chain 4 Binding Site BS01

Receptor Information
>6zkk Chain 4 (length=430) Species: 9940 (Ovis aries) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARQWQPDVEWAEQYGGAVMYPTKETAHWKPPPWNDVDPPKDTLVSNLTLN
FGPQHPAAHGVLRLVMELSGEMVRKCDPHIGLLHRGTEKLIEYKTYLQAL
PYFDRLDYVSMMCNEQAYSLAVEKLLNIQPPPRAQWIRVLFGEITRLLNH
IMAVTTHALDIGAMTPFFWMFEEREKMFEFYERVSGARMHAAYVRPGGVH
QDLPLGLMDDIYEFSKNFSLRIDELEEMLTNNRIWRNRTVDIGVVTAEDA
LNYGFSGVMLRGSGIQWDLRKTQPYDVYDQVEFDVPIGSRGDCYDRYLCR
VEEMRQSIRIISQCLNKMPPGEIKVDDAKVSPPKRAEMKTSMESLIHHFK
LYTEGYQVPPGATYTAIEAPKGEFGVYLVSDGSSRPYRCKIKAPGFAHLA
GLDKMSKGHMLADVVAIIGTQDIVFGEVDR
Ligand information
Ligand ID970
InChIInChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
InChIKeyJUVIOZPCNVVQFO-HBGVWJBISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=C)[C@H]1Cc2c(ccc3c2O[C@@H]4COc5cc(c(cc5[C@@H]4C3=O)OC)OC)O1
CACTVS 3.385COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C
ACDLabs 12.01c3c4C(=O)C5c1c(cc(c(OC)c1)OC)OCC5Oc4c2CC(C(\C)=C)Oc2c3
OpenEye OEToolkits 2.0.6CC(=C)C1Cc2c(ccc3c2OC4COc5cc(c(cc5C4C3=O)OC)OC)O1
CACTVS 3.385COc1cc2OC[CH]3Oc4c5C[CH](Oc5ccc4C(=O)[CH]3c2cc1OC)C(C)=C
FormulaC23 H22 O6
Name(2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one
ChEMBLCHEMBL429023
DrugBankDB11457
ZINCZINC000003860715
PDB chain6zkk Chain 4 Residue 501 [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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PDB6zkk The coupling mechanism of mammalian respiratory complex I.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		P56 H59 Y108 F167
Binding residue
(residue number reindexed from 1)		P56 H59 Y108 F167
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 30 09:03:56 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 = '6zkk', asym_id = '4', bs = 'BS01', title = 'The coupling mechanism of mammalian respiratory complex I.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6zkk', asym_id='4', bs='BS01', title='The coupling mechanism of mammalian respiratory complex I.')
   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 = '0016651,0048038,0051287', uniprot = '', pdbid = '6zkk', asym_id = '4'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016651,0048038,0051287', uniprot='', pdbid='6zkk', asym_id='4')
    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>