Structure of PDB 8cmo Chain A Binding Site BS01

Receptor Information
>8cmo Chain A (length=740) Species: 75800 (Coelastrella) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKVKIAVDRNPVETSFEKWAKPGHFSRTLSKGPNTTTWIWNLHADAHDFD
SHTSDLEEISRKVFSAHFGQLGVIFIWLSGMYFHGARFSNYEAWLSDPVH
IKPSAQVVWPVVGQEILNGDVGGGFQGIQITSGFFQLWRASGITSELQLY
TTAIGGLVMAAAMFFAGWFHYHKAAPKLEWFQNVESMLNHHLAGLLGLGS
LSWAGHQIHVSLPVNKLLDAGVDPKEIPLPHEFLLNRQIMQDLYPSFAKG
LAPFFTLQWGEYSDFLTFNGGLNPVTGGLWLSDTAHHHLAIAVLFLVAGH
MYRTNWGIGHSMKEILEAHKGPFTGEGHVGLYEILTTSWHAQLAINLALF
GSLSIIVAHHMYSMPPYPYLATDYGTQLSLFTHHNWIGGFCIVGAGAHAA
IFMVRDYDPTNNYNNLLDRVIRHRDAIISHLNWVCIFLGFHSFGLYIHND
TMSALGRPQDMFSDTAIQLQPVFAQWIQKTHFLAPQLTAPTALAATSATW
GGDVVAVGGKVAMMPISLGTSDFLVHHIHAFTIHVTVLILLKGVLFARSS
RLIPDKANLGFRFPCDGPGRGGTCQVSAWDHVFLGLFWMYNSLSIAIFHF
SWKMQSDVWGTVTASGVSHITGGNFAQSANTINGWLRDFLWAQSSQVIQS
YGSALSAYGLMFLGAHFVWAFSLMFLFSGRGYWQELIESIIWAHSKLKVA
PSIQPRALSITQGRAVGVAHYLLGGIATTWSFFLARIIAV
Ligand information
Ligand IDCL0
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;+4/p-1/b34-26+;/t32-,33-,37+,41+,51+;/m1./s1
InChIKeyVIQFHHZSLDFWDU-DVXFRRMCSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@@H](C(=O)c8c7C)C(=O)OC)C)C=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=[N+]5[Mg]47[N]8C(=CC1=[N+]27)C(=C9C(=O)[CH](C(=O)OC)C6=C89)C)c(C)c3C=C
OpenEye OEToolkits 1.7.6CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(C(=O)c8c7C)C(=O)OC)C)C=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4c(C=C5[C@@H](C)[C@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C6=[N@@+]5[Mg]47[N@]8C(=CC1=[N@@+]27)C(=C9C(=O)[C@@H](C(=O)OC)C6=C89)C)c(C)c3C=C
FormulaC55 H72 Mg N4 O5
NameCHLOROPHYLL A ISOMER
ChEMBL
DrugBank
ZINC
PDB chain8cmo Chain A Residue 801 [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)		F453 Y600 I605 F608 W645 L650 S654 I658 F672 H676 W679 T738 F742
Binding residue
(residue number reindexed from 1)		F443 Y590 I595 F598 W635 L640 S644 I648 F662 H666 W669 T728 F732
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Apr 21 08:06:49 2025

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 = 'A', bs = 'BS01', 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='A', bs='BS01', 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 = '0009579,0015979,0016020,0046872', uniprot = '', pdbid = '8cmo', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009579,0015979,0016020,0046872', uniprot='', pdbid='8cmo', asym_id='A')
    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>