Structure of PDB 6j3y Chain 13 Binding Site BS13

Receptor Information
>6j3y Chain 13 (length=176) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEIELGVTEPLGVYDPLGWLESEPEAFERRRAVERKHGRVAMAAVVGTIV
HNNHIVFDGYLSPSNNLKFSDIPTGVDGIRAIPTAGLAQILAFFALVELA
WMPASKYDGDYGVGYFGTDIKDPEEKARKLNVELNNGRAAMMGIMGNMVA
EVLTGQTMYEQYASGHISPFGDGQGV
Ligand information
Ligand IDA86
InChIInChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23-,34-,35-,40+,41+,42-/m0/s1
InChIKeySJWWTRQNNRNTPU-XJUZQKKNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=C=C3C(CC(CC3(C)O)OC(=O)C)(C)C
ACDLabs 12.01C\C(=C/C=C/C=C(/C=C/C=C(\C)C(=O)CC12C(C)(CC(O)CC1(C)O2)C)C)[C@H]=C[C@H]=C([C@H]=C=C3\C(C)(C)CC(CC3(O)C)OC(=O)C)C
OpenEye OEToolkits 2.0.6C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(\C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O
CACTVS 3.385CC(=O)O[CH]1CC(C)(C)[C](=[C]=[CH]C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)C[C]23O[C]2(C)C[CH](O)CC3(C)C)[C](C)(O)C1
CACTVS 3.385CC(=O)O[C@H]1CC(C)(C)[C](=[C@@]=[CH]C(\C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@](C)(O)C1
FormulaC42 H58 O6
Name(3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate;
Fucoxanthin
ChEMBL
DrugBankDB15462
ZINC
PDB chain6j3y Chain 13 Residue 314 [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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PDB6j3y Structural basis for energy harvesting and dissipation in a diatom PSII-FCPII supercomplex.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		P40 N165 R168 A169 D202
Binding residue
(residue number reindexed from 1)		P10 N135 R138 A139 D172
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 16:52:02 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 = '6j3y', asym_id = '13', bs = 'BS13', title = 'Structural basis for energy harvesting and dissipation in a diatom PSII-FCPII supercomplex.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6j3y', asym_id='13', bs='BS13', title='Structural basis for energy harvesting and dissipation in a diatom PSII-FCPII supercomplex.')
   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 = '0009765,0016020', uniprot = '', pdbid = '6j3y', asym_id = '13'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009765,0016020', uniprot='', pdbid='6j3y', asym_id='13')
    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>