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- ChemComp-GS0: Bacteriochlorophyll A isomer -

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Basic information

EntryDatabase: PDB chemical components / ID: GS0
NameName: Bacteriochlorophyll A isomer

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Chemical information

Composition
Formula: C55H74MgN4O6 / Number of atoms: 140 / Formula weight: 911.504 / Formal charge: 0
Others

6m32

Type: non-polymer / PDB classification: HETAIN / Three letter code: GS0 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6M32
History
Create componentAug 7, 2020
Initial releaseNov 25, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CC[CH]1[CH](C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C(C)=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C
OpenEye OEToolkits 2.0.7CCC1C(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(=O)C)C

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SMILES CANONICAL

CACTVS 3.385CC[C@@H]1[C@H](C)C2=Cc3n4[Mg][N@]5C(=CC1=N2)C(=C6C(=O)[C@@H](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C(C)=O)[C@@H](C)[C@@H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C
OpenEye OEToolkits 2.0.7CC[C@@H]1[C@H](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(=O)C)C

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InChI

InChI 1.03InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34?,35?,39?,40?,51+;/m1./s1

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InChIKey

InChI 1.03DSJXIQQMORJERS-NDWDOOJPSA-M

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PDB entries

Showing all 5 items

PDB-6m32:
Cryo-EM structure of FMO-RC complex from green sulfur bacteria

PDB-7uea:
Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO1)

PDB-7ueb:
Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO2)

PDB-7z6q:
Cryo-EM structure of the whole photosynthetic complex from the green sulfur bacteria

PDB-8gwa:
Structure of the intact photosynthetic light-harvesting antenna-reaction center complex from a green sulfur bacterium

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