Structure of PDB 6rhz Chain B Binding Site BS17

Receptor Information
>6rhz Chain B (length=730) Species: 3046 (Dunaliella salina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FPKFSQGLAQDPSTRRIWYGLATAHDFESHDGMTEENLYQKIFASHFGQL
AIIFLWTSGNLFHVAWQGNFEQWVTDPIHVRPIAHAIWDPHFGQPAVEAF
TRGGASGPVNIATSGVYQWWYTIGLRSNQELYVSSVFLALVSAVFLFAGW
LHLQPNFQPSLSWFKDAESRLNHHLAGLFGVSSLAWTGHLVHVAIPESRG
QHVGWDNFLSVLPHPQGLTPFWSGNWAAYAQNPDTASHAFGTADGSGTAI
LTFLGGFHPQTQSLWLSDMAHHHLAIAVLFIVAGHMYRTNFGIGHRLEAI
LEAHTPPAGGLGAGHKGLFHTVNNSLHFQLGLALASVGTITSLVAQHMYS
LPPYAYLAVDFTTQASLYTHHQYIAGFIMCGAFAHGAIFFIRDYDPEQNK
GNVLARVLDHKEAIISHLSWVSLFLGFHTLGLYVHNDVVQAFGTPEKQIL
IEPVFAQWIQAAQGKSLYGFDLLLASSSSPAYSAGQSLWLPGWLEAINNN
QNSLFLTIGPGDFLVHHAIALGLHTTTLILVKGALDARGSKLMPDKKDFG
YSFPCDGPGRGGTCDISAYDAFYLAVFWMLNTIGWVTFYWHWKHLTLWQG
NVSQFDESSTYLMGWLRDYLWLNSSQLINGYNPFGMNSLSVWAWTFLFGH
LVYATGFMFLISWRGYWQELIETLVWAHEKTPLANLVYWKDKPVALSIVQ
ARLVGLAHFSVGYIFTYAAFLIASTAGRFG
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 chain6rhz Chain B Residue 1210 [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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PDB6rhz Structure of a minimal photosystem I from the green alga Dunaliella salina.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		F48 H51 F52 L55 W124 W168 R175 H178 H179 L183 F184
Binding residue
(residue number reindexed from 1)		F43 H46 F47 L50 W119 W163 R170 H173 H174 L178 F179
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:0009535 chloroplast thylakoid membrane
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:6rhz, PDBe:6rhz, PDBj:6rhz
PDBsum6rhz
PubMed32123351
UniProtD0FXZ0

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