Structure of PDB 6jlu Chain b Binding Site BS11

Receptor Information
>6jlu Chain b (length=503) [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
TYGHANFALLFFFGHLWHGGRTIFRDVFTGIGAEVTEQVEFGAFQKLGDK
STK
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 chain6jlu Chain b Residue 613 [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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PDB6jlu The pigment-protein network of a diatom photosystem II-light-harvesting antenna supercomplex.
Resolution3.02 Å
Binding residue
(original residue number in PDB)		H9 L19 V22 H23 H26 I234 V237 L238 S241
Binding residue
(residue number reindexed from 1)		H8 L18 V21 H22 H25 I233 V236 L237 S240
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 29 14:54:09 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 = '6jlu', asym_id = 'b', bs = 'BS11', title = 'The pigment-protein network of a diatom photosystem II-light-harvesting antenna supercomplex.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6jlu', asym_id='b', bs='BS11', title='The pigment-protein network of a diatom photosystem II-light-harvesting antenna 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 = '6jlu', asym_id = 'b'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009521,0009523,0009767,0009772,0015979,0016020,0016168,0019684,0045156', uniprot='', pdbid='6jlu', 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>