Structure of PDB 6ly5 Chain W Binding Site BS07
Receptor Information
>6ly5 Chain W (length=160) [
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AFEDELGAQPPLGFFDPLGLVADGDQEKFDRLRYVEIKHGRISMLAVVGY
LVQEAGVRLPGTIDYSGKTFAEIPNGFAAFKEIPAGGLVQLLFFIGVLES
SVMRDLTGEAEFVGDFRNGAIDFGWDTFDEETQFKKRAIELNQGRAAQMG
ILALMVHEQL
Ligand information
Ligand ID
CLA
InChI
InChI=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
InChIKey
ATNHDLDRLWWWCB-AENOIHSZSA-M
SMILES
Software
SMILES
OpenEye OEToolkits 2.0.7
CCC1=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 3.385
CCC1=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 12.01
O=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 2.0.7
CCC1=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 3.385
CCC1=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
Formula
C55 H72 Mg N4 O5
Name
CHLOROPHYLL A
ChEMBL
DrugBank
DB02133
ZINC
PDB chain
6ly5 Chain W Residue 207 [
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Receptor-Ligand Complex Structure
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PDB
6ly5
Structural basis for energy transfer in a huge diatom PSI-FCPI supercomplex.
Resolution
2.38 Å
Binding residue
(original residue number in PDB)
F15 L20 V21 L32 R33 E36 R145 Q148
Binding residue
(residue number reindexed from 1)
F15 L20 V21 L32 R33 E36 R145 Q148
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Biological Process
GO:0009765
photosynthesis, light harvesting
Cellular Component
GO:0016020
membrane
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:6ly5
,
PDBe:6ly5
,
PDBj:6ly5
PDBsum
6ly5
PubMed
33033236
UniProt
B7FRW2
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