Structure of PDB 8wey Chain A Binding Site BS02

Receptor Information
>8wey Chain A (length=741) Species: 2771 (Cyanidium caldarium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVKVVVDRDVVATSFEKWAKPGHFSRSLAKGPKTTTWIWNLHADAHDFDS
HTSSLEEVSRKIFSAHFGQLAIIFIWLSGMYFHGARFSNYVAWLSNPTGI
KPSAQVVWPIVGQQILNADVGGGIQGIQITSGLFQLWRASGIVNELQLYV
TAIGGLVMAGLMMFAGWFHYHKAAPKLEWFQNVESMLNHHLAGLLGLGSL
SWAGHQIHVSLPVNKLLDAGVAPSSIPLPHEFILNRNLMAELYPSFQQGL
APFFTLNWKQYSDILTFKGGLSPVTGGLWLTDVAHHHLAIAVLFIVAGHM
YRTNWGIGHSMKQLLEAHKGPLTGEGHKGLYEVLTTSWHANLAINLAMLG
SLSIIVAHHMYSMPPYPYLATDYPTQLSLFTHHMWIGGFCIVGAGAHAAI
YMVRDYSPTVNYNNVLDRMIRHRDAIISHLNWVCIFLGTHSFGLYIHNDT
MRALGRAQDMFSDTAIQLQPVLAQWIQQIHTLAPGNTAVNALATASYAFG
ADTVTVGSKIAMMPIKLGTADFMVHHIHAFTIHVTVLILLKGVLFARNSR
LIPDKANLGFRFPCDGPGRGGTCQVSAWDHVFLGLFWMYNALSVVIFHFS
WKMQSDVWGTVSSNGTVSHITGGNFAQSAITINGWLRDFLWAQASQVIQS
YGSSLSAYGLMFLGAHFVWAFSLMFLFSGRGYWQELIESIVWAHNKLKVA
PSIAPRALSITQGRAVGVAHYLLGGIATTWAFFLARIISVG
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 chain8wey Chain A Residue 802 [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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PDB8wey Structure of PSI-LHCI from Cyanidium caldarium provides evolutionary insights into conservation and diversity of red-lineage LHCs
Resolution1.92 Å
Binding residue
(original residue number in PDB)		H30 F31 H49 A52 H53 G75 I79 M170
Binding residue
(residue number reindexed from 1)		H23 F24 H42 A45 H46 G68 I72 M163
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 23 03:10:02 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 = '8wey', asym_id = 'A', bs = 'BS02', title = 'Structure of PSI-LHCI from Cyanidium caldarium p...to conservation and diversity of red-lineage LHCs'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8wey', asym_id='A', bs='BS02', title='Structure of PSI-LHCI from Cyanidium caldarium p...to conservation and diversity of red-lineage LHCs')
   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 = '8wey', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009579,0015979,0016020,0046872', uniprot='', pdbid='8wey', 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>