Structure of PDB 7y7a Chain Bo Binding Site BS30

Receptor Information
>7y7a Chain Bo (length=732) Species: 35688 (Porphyridium purpureum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKFPKFSQALAQDPSTRRIWFGIATSHDFESHDGMTEENLYQKIFASHFG
HLAIIFLWTSGNLFHVAWQGNFEQWVLNPLKTKPIAHAIWDPHFGQPAIK
AFTKGGVTYPVDIAYSGVYHWWYTIGMRTNNDLYSGALFLLVLSAVFLFA
GWLHLQPRFKPSLSWFKNNESRLNHHLSGLFGVSSLAWTGHMIHVAIPES
RGQHIGWDNFTTVRPHPAGLEPFFSGNWSVYAQNPDTPNHIFGTSEGAGT
AILTFLGGFHPQTQSLWLTDMAHHHLAIAVVFIVAGHMYRTNWGIGHSLK
EILEAHEPPSGRLGKGHKGLFETITNSLHMQLGLALASLGVITSLVAQHM
YALPPYAFMAKDFTTQAALYTHHQYIAGFLMVGAFAHGAIFFVRDYDAEQ
NEGNVLARMLEHKEAIISHLSWVSLFLGFHTLGLYIHNDVVVAFGTPEKQ
ILVEPVFAQWIQAASGKALYGFDVLLSSSNSVATQAGGNIWLPGWLEAIN
SGKNSLFLTIGPGDFLVHHAIALGLHTTALILIKGALDARGSKLMPDKKD
FGYSFPCDGPGRGGTCDISAWDAFYLSVFWMLNTIGWVTFYWHWKHVTIW
QGNVAQFNESSTYLMGWLRDYLWLNSSPLINGYNPYGMNSLSVWAWMFLF
GHLIWATGFMFLISWRGYWQELIETLAWAHERTPLANLVRWKDKPVALSI
VQARLVGLAHFSVGYILTYAAFVIASTTGKFG
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 chain7y7a Chain Bo Residue 824 [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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PDB7y7a In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex.
Resolution4.3 Å
Binding residue
(original residue number in PDB)		T61 G119 W123 S186 T345 V348 M352 Y358 L371 H374 H375 I378
Binding residue
(residue number reindexed from 1)		T59 G117 W121 S184 T343 V346 M350 Y356 L369 H372 H373 I376
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:0009507 chloroplast
GO:0009522 photosystem I
GO:0009579 thylakoid
GO:0016020 membrane
GO:0042651 thylakoid membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7y7a, PDBe:7y7a, PDBj:7y7a
PDBsum7y7a
PubMed36922595
UniProtW0RYU6

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