Structure of PDB 6j3z Chain b Binding Site BS02

Receptor Information
>6j3z Chain b (length=484) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALPWYRVHTVVLNDPGRLIAVHLMHTALVAGWAGSMALYELAVFDPSDPV
LNPMWRQGMFVMPFMTRLGITDSWGGWSITGESVSNPGIWSFEGVALSHI
ILSGMCFLAAIWHWVYWDLELFRDPRTGEPALDLPKIFGIHLFLSGLLCF
GFGAFHVTGLFGPGIWVSDAYGITGKVQPVAPAWGADGFNPFNPGGIAAH
HIAAGIFGIFAGIFHLTVRPPQRLYRALRMGNIETVLSSSISAVFFAAFV
TSGTMWYGAAATPIELFGPTRYQWDSGYFQQEIERQVETSVSEGLSESQA
WSRIPDKLAFYDYIGNNPAKGGLFRAGPMNKGDGIAEAWLGHPIFRDKEG
RELTVRRMPAFFETFPVILVDKDGIIRADIPFRRAESKYSIEQVGVTVDF
YGGKLNGQTFKDAPTVKKFARKAQLGEVFEFDRTSLESDGVFRSSPRGWY
TYGHANFALLFFFGHLWHGGRTIFRDVFTGIGAE
Ligand information
Ligand IDCLA
InChIInChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1
InChIKeyATNHDLDRLWWWCB-AENOIHSZSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C
ACDLabs 12.01O=C(OC)C1C(=O)C2=C(C)C3=CC=4C(CC)=C(C)C5=Cc6c(C=C)c(C)c7C=C8C(C)C(CCC(=O)OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C1=C2N3[Mg](n76)(N5=4)N8=9
OpenEye OEToolkits 2.0.7CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4[Mg][N@@]5C(=CC1=N2)C(=C6C(=O)[C@H](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[C@@H](C)[C@@H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C
FormulaC55 H72 Mg N4 O5
NameCHLOROPHYLL A
ChEMBL
DrugBankDB02133
ZINC
PDB chain6j3z Chain b Residue 602 [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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PDB6j3z Structural basis for energy harvesting and dissipation in a diatom PSII-FCPII supercomplex.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		W185 F190 H201 A205 F208 F247 F250 V251
Binding residue
(residue number reindexed from 1)		W184 F189 H200 A204 F207 F246 F249 V250
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 29 12:56:30 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 = '6j3z', asym_id = 'b', bs = 'BS02', title = 'Structural basis for energy harvesting and dissipation in a diatom PSII-FCPII supercomplex.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6j3z', asym_id='b', bs='BS02', 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 = '0009521,0009523,0009767,0009772,0015979,0016020,0016168,0019684,0045156', uniprot = '', pdbid = '6j3z', asym_id = 'b'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009521,0009523,0009767,0009772,0015979,0016020,0016168,0019684,0045156', uniprot='', pdbid='6j3z', asym_id='b')
    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>