Structure of PDB 8cmo Chain B Binding Site BS51

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 IDT7X
InChIInChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11+,19-17+,24-22-,30-28-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
InChIKeyKRTOMQDUKGRFDJ-TWUHCGEESA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C/C=C\C/C=C/C/C=C/CCCCC
OpenEye OEToolkits 2.0.4CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
OpenEye OEToolkits 2.0.4CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC/C=C\C/C=C\C/C=C/C/C=C/CCCCC
ACDLabs 12.01C1(C(C(C(C(C1O)O)O)O)O)OP(OCC(OC(CCCC=[C@H]CC=[C@H]C[C@H]=CC\C=C\CCCCC)=O)COC(=O)CCCCCCCCCCCCCCCCC)(O)=O
FormulaC47 H83 O13 P
NamePhosphatidylinositol
ChEMBL
DrugBank
ZINCZINC000584905691
PDB chain8cmo Chain J Residue 102 [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)
F429 H433 F518 H522
Binding residue
(residue number reindexed from 1)
F428 H432 F517 H521
Annotation score1
Gene Ontology
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UnboundLocalError
Python 3.6.8: /usr/bin/python3
Sat Nov 16 02:14:37 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 = 'BS51', 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='BS51', 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>