Structure of PDB 8jze Chain b Binding Site BS25

Receptor Information
>8jze Chain b (length=663) Species: 2949 (Symbiodinium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRCASSRYLQVLGSIHDIECGFGIDNTLSLNLQIFTAHWGHLTIILIWVS
SNLYHIASNANYSLWVKNPIPSMPIAHNIWDPHFTNSTSTPYSHTIITTI
LIAYSGIYNQLYTSGFNTINQIYKTTFTFSCLAVISILLAKIHINTHSEL
LHKLASHTSQIPSFFQLLYFLDVAISSVNIRFNFHTGILVGLFSIGYTGH
LLDITIPASRAPLIHTSPSYLTFFGGLKSNTSSLYLTDIAHHHLAIGIIS
ILTGHLYSSFRAALGTYIRDILYTSHLTHSIKSLHLALSLILASCTPLTS
TTAQHIYSLTPYFYLSYDHIYSTALYVHHSYITSFLAIASHAHTAITLVR
DWVAPLEQESSSKQIRIHTHKAAIISHLSWVSLWLGFHTLAVYSHNDTCI
AFNSPSKQILIEASNGQLIQQASGKALYGTINSINNYNKSFDSFIHPISP
GDLYVHHAIALGLHITVLILLKGGLEARGSKLMPDKMEHSFGFSCDGPGR
GGTCDISAWDSFYLATFWMLNSNAWISFYFHYKHLTPRQFSESSTYLESW
FRDYLWFNSTPLIHGYSTLGANDLSVQSWSFLLTHLAWASGFMFLISWRG
YWQELIDIILYIHLKTPILINLWNGDIYTPLALSIVQARFIGLVHFSTGL
ILTYPPFIIGATS
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 chain8jze Chain b Residue 716 [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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PDB8jze Structures and organizations of PSI-AcpPCI supercomplexes from red tidal and coral symbiotic photosynthetic dinoflagellates.
Resolution2.99 Å
Binding residue
(original residue number in PDB)		F257 G259 L268 D272 H275 H276 I280 H339 L461 F478
Binding residue
(residue number reindexed from 1)		F223 G225 L234 D238 H241 H242 I246 H305 L427 F444
Annotation score1
Enzymatic activity
Enzyme Commision number 1.97.1.12: photosystem I.
Gene Ontology
Molecular Function
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8jze, PDBe:8jze, PDBj:8jze
PDBsum8jze
PubMed38319970
UniProtA0A0A0N2P0

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