Structure of PDB 6sl5 Chain B Binding Site BS22

Receptor Information
>6sl5 Chain B (length=733) Species: 3046 (Dunaliella salina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKLFPKFSQGLAQDPSTRRIWYGLATAHDFESHDGMTEENLYQKIFASHF
GQLAIIFLWTSGNLFHVAWQGNFEQWVTDPIHVRPIAHAIWDPHFGQPAV
EAFTRGGASGPVNIATSGVYQWWYTIGLRSNQELYVSSVFLALVSAVFLF
AGWLHLQPNFQPSLSWFKDAESRLNHHLAGLFGVSSLAWTGHLVHVAIPE
SRGQHVGWDNFLSVLPHPQGLTPFWSGNWAAYAQNPDTASHAFGTADGSG
TAILTFLGGFHPQTQSLWLSDMAHHHLAIAVLFIVAGHMYRTNFGIGHRL
EAILEAHTPPAGGLGAGHKGLFHTVNNSLHFQLGLALASVGTITSLVAQH
MYSLPPYAYLAVDFTTQASLYTHHQYIAGFIMCGAFAHGAIFFIRDYDPE
QNKGNVLARVLDHKEAIISHLSWVSLFLGFHTLGLYVHNDVVQAFGTPEK
QILIEPVFAQWIQAAQGKSLYGFDLLLASSSSPAYSAGQSLWLPGWLEAI
NNNQNSLFLTIGPGDFLVHHAIALGLHTTTLILVKGALDARGSKLMPDKK
DFGYSFPCDGPGRGGTCDISAYDAFYLAVFWMLNTIGWVTFYWHWKHLTL
WQGNVSQFDESSTYLMGWLRDYLWLNSSQLINGYNPFGMNSLSVWAWTFL
FGHLVYATGFMFLISWRGYWQELIETLVWAHEKTPLANLVYWKDKPVALS
IVQARLVGLAHFSVGYIFTYAAFLIASTAGRFG
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 chain6sl5 Chain B Residue 1213 [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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PDB6sl5 Structure and energy transfer pathways of the Dunaliella Salina photosystem I supercomplex.
Resolution2.84 Å
Binding residue
(original residue number in PDB)		W231 A232 L256 F258 H276 L279 A280 V283
Binding residue
(residue number reindexed from 1)		W229 A230 L254 F256 H274 L277 A278 V281
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:6sl5, PDBe:6sl5, PDBj:6sl5
PDBsum6sl5
PubMed32569661
UniProtD0FXZ0

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