Structure of PDB 6yxr Chain 2 Binding Site BS10

Receptor Information

>6yxr Chain 2 (length=208) Species: 3046 (Dunaliella salina)

DRPLWSPGSEPPAWLDGSLAGDYGFDPLHLSEEPEMRKWMVQAELVHCRW
AMLGVAGILFTSIGAKAGGNFPDWYDAGKELQKNSDIPLGSLIFTELLLF
GWVETKRLYDLRNPGSQGDGSFLGITDGLKGKENGYPGGLFDPMGMSKNE
ASFKEAKQKEVKNGRLAMLAFVGFIAQHHATHKSPIDNLLDHVADPFHVT
FATNGVSI

Ligand information

• Ligand ID: CHL
• InChI: InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+4/p-1/b34-25+;/t32-,33-,36?,40?,51-;/m1./s1
• InChIKey: MWVCRINOIIOUAU-UYSPMESUSA-M
• SMILES:
  OpenEye OEToolkits 2.0.7: CCC1=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=O
  OpenEye OEToolkits 2.0.7: CCC1=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=O
  CACTVS 3.385: CCC1=C(C=O)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
  CACTVS 3.385: CCC1=C(C=O)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
• Formula: C55 H70 Mg N4 O6
• Name: CHLOROPHYLL B
• PDB chain: 6yxr Chain 2 Residue 611

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6yxr Structure and energy transfer pathways of the Dunaliella Salina photosystem I supercomplex.
• Resolution: 3.4 Å
• Binding residue (original residue number in PDB): R111 W112 V165 K168 R169 D172 Q179 F203
• Binding residue (residue number reindexed from 1): R49 W50 V103 K106 R107 D110 Q117 F141
• Annotation score: 4

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sat Nov 16 04:30:23 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 = '6yxr', asym_id = '2', bs = 'BS10', title = 'Structure and energy transfer pathways of the Dunaliella Salina photosystem I supercomplex.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6yxr', asym_id='2', bs='BS10', title='Structure and energy transfer pathways of the Dunaliella Salina photosystem I 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 = '0009765,0016020', uniprot = '', pdbid = '6yxr', asym_id = '2'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009765,0016020', uniprot='', pdbid='6yxr', asym_id='2')

    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>