Structure of PDB 8cmo Chain B Binding Site BS34

Receptor Information
>8cmo Chain B (length=732) Species: 75800 (Coelastrella) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATKLFPKFSQGLAQDPTTRRIWFGLAVAHDFESHDGMTEENLYQKIFASH
FGQLAIIFLWTSGNLFHVAWQGNFEQWGADPIHVRPIAHAIWDPHFGQPA
VEAFTRGGASGPVNISTSGVYQWWYTIGMRTNQDLYVGSVFLALVSAIFL
FASWLHLQPSFTPSLSWFKDAESRLNHHLSGLFGVSSLAWTGHLVHVAIP
ESRGKHVGWDNFLTQLPHPQGLTPFWTGNWAAYAQNPDSASHVFGTSDGA
GEAILTFLGGFHPQTQSLWLTDMAHHHLAIAVIFIVAGHMYRTNFGIGHR
MSAILDAHVAPSGRLGAGHKGLFETVNNSLHFQLGLALASVGTICSLVAQ
HMYSLPPYAFLANDFTTQASLYTHHQYIAGFIMCGAFAHGAIFWIRDYDP
EQNKGNVLARMLDHKEAIISHLSWVSLFLGFHTLGLYVHNDVMQAFGTPE
KQILIEPVFAQWIQAAHGKAFYGFDLLLSSSSSSAASASQTLWLPGWLDA
INNNQNSLFLTIGPGDFLVHHAIALGLHTTTLILVKGALDARGSKLMPDK
KDFGYSFPCDGPGRGGTCDISAYDAFYLAVFWMLNTIGWVTFYFHWKHLT
LWQGNVSQFDESSTYLMGWLRDYLWLNSSQLINGYNPFGMNSLSVWAWIF
LFGHLVYATGFMFLISWRGYWQELIETLVWAHEKTPLANLVYWKDKPVAL
SIVQARLVGLTHFSVGYVFTYAAFLIASTSGK
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 chain8cmo Chain B Residue 829 [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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PDB8cmo Cryo-EM structure of the Photosystem I - LHCI supercomplex from Coelastrella sp.
Resolution2.81 Å
Binding residue
(original residue number in PDB)		W61 T118 S119 S371 T374 H375 Y378 I379 F382 A723 I727
Binding residue
(residue number reindexed from 1)		W60 T117 S118 S370 T373 H374 Y377 I378 F381 A722 I726
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 02:41:11 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 = '8cmo', asym_id = 'B', bs = 'BS34', title = 'Cryo-EM structure of the Photosystem I - LHCI supercomplex from Coelastrella sp.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8cmo', asym_id='B', bs='BS34', title='Cryo-EM structure of the Photosystem I - LHCI supercomplex from Coelastrella sp.')
   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 = '0009522,0009579,0015979,0016020', uniprot = '', pdbid = '8cmo', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009522,0009579,0015979,0016020', uniprot='', pdbid='8cmo', 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>