Structure of PDB 7lx0 Chain A Binding Site BS06

Receptor Information
>7lx0 Chain A (length=751) Species: 98439 (Fischerella thermalis PCC 7521) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVRVVVDNDPVPTSFQKWSQPGHFDRTLAKGAKTTTWIWNLHANAHDFDT
HTSDLEDISRKIFAAHFGHLAVVFIWLSGMYFHGARFSNFEAWMANPTGI
KPSAQVVWPIFGQEILNGDMGGGFHGIQITSGLFQMWRAAGFTNTFQLYC
TAIGGLVMAALMLFAGWFHYHKRAPKLEWFQNTQSMLNHHLAGLLGLGSL
GWTGHLIHVSLPTNKLLDTGVALKDIPLPHEFILNPSLMNKLYPHADWGF
VKGVVPFFTLQWGHFTDFLTFKGGLNPVTGGLWLTDVAHHHLAIAVMFII
AGHMYRTNWGIGHSIKEMLDDARTPNMLPFLSFIGPVGHKGLFEVLTTSW
HAQLSINLAMLGSLSIIIAHHMYAMPPYPYLATDYGTVVSLFTHHVWIGG
FLIVGGAAHAAIYMVRDYDPEQNFNNVLDRVLRHRDAIISHLAWVCQFLG
FHSFAMYCHNDTMRAFGRPQDMFSDTGIQLQPVFAQWLQHIHTMTIAAPN
LHDPVSYAFGGGVVAVGGKVAMMPITLGTADFLIHHIHAFTIHVTVLVLL
KGVLFARSSRLIPDKANLGFRFPCDGPGRGGTCQVSAWDHVFLGLFWMYN
SLSMVIFHFFWKMQSDVWGTVGADGVVTHITGGNFATSSITNNGWLRDFL
WAQSTQVITSYNTSLSAYGLMFLGGHFIFGFSLMFLFSGRGYWQELIESI
VWAHNKLKVAPAIQPRALSIIHGRAVGVAHYLLGGIVTTWAFFLARMTAF
G
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 chain7lx0 Chain A Residue 1103 [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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PDB7lx0 Quantitative assessment of chlorophyll types in cryo-EM maps of photosystem I acclimated to far-red light
Resolution2.96 Å
Binding residue
(original residue number in PDB)		H55 I71 A74 H75 H78 V82 F83 W359 H360 Q362 L363 N366
Binding residue
(residue number reindexed from 1)		H46 I62 A65 H66 H69 V73 F74 W350 H351 Q353 L354 N357
Annotation score1
Enzymatic activity
Enzyme Commision number 1.97.1.12: photosystem I.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0009055 electron transfer activity
GO:0016168 chlorophyll binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015979 photosynthesis
Cellular Component
GO:0009522 photosystem I
GO:0009579 thylakoid
GO:0016020 membrane
GO:0031676 plasma membrane-derived thylakoid membrane
GO:0042651 thylakoid membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7lx0, PDBe:7lx0, PDBj:7lx0
PDBsum7lx0
PubMed
UniProtG6FME9

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