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Structure of PDB 5zji Chain B Binding Site BS02

Receptor Information >5zji Chain B (length=733) Species: 381124 (Zea mays subsp. mays) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] ELRFPRFSQGLAQDPTTRRIWFGIATAHDFESHDDITEERLYQNIFASHF GQLAIIFLWTSGNLFHVAWQGNFESWIQDPLHVRPIAHAIWDPHFGQPAV EAFTRGGAAGPVNIAYSGVYQWWYTIGLRTNEDLYTGALFLLFLSTLSLI GGWLHLQPKWKPSLSWFKNAESRLNHHLSGLFGVSSLAWTGHLVHVAIPG SRGEYVRWNNFLDVLPYPQGLGPLLTGQWNLYAQNPDSSNHLFGTTQGAG TAILTLLGGFHPQTQSLWLTDIAHHHLAIAFIFLIAGHMYRTNFGIGHSI KDLLEAHTPPGGRLGRGHKGLYDTINNSIHFQLGLALASLGVITSLVAQH MYSLPAYAFIAQDFTTQAALYTHHQYIAGFIMTGAFAHGAIFFIRDYNPE QNEDNVLARMLDHKEAIISHLSWASLFLGFHTLGLYVHNDVMLAFGTPEK QILIEPIFAQWIQSAHGKTTYGFDILLSSTNGPAFNAGRNIWLPGWLNAV NENSNSLFLTIGPGDFLVHHAIALGLHTTTLILVKGALDARGSKLMPDKK DFGYSFPCDGPGRGGTCDISAWDAFYLAVFWMLNTIGWVTFYWHWKHITL WQGNVSQFNESSTYLMGWLRDYLWLNSSQLINGYNPFGMNSLSVWAWMFL FGHLVWATGFMFLISWRGYWQELIETLAWAHERTPLANLIRWRDKPVALS IVQARLVGLAHFSVGYIFTYAAFLIASTSGKFG

Ligand information Ligand ID CLA InChI InChI=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 InChIKey ATNHDLDRLWWWCB-AENOIHSZSA-M SMILES Software SMILES OpenEye OEToolkits 2.0.7 CCC1=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 3.385 CCC1=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 12.01 O=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 2.0.7 CCC1=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 3.385 CCC1=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 Formula C55 H72 Mg N4 O5 Name CHLOROPHYLL A ChEMBL DrugBank DB02133 ZINC PDB chain 5zji Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 5zji Structure of the maize photosystem I supercomplex with light-harvesting complexes I and II. Resolution 3.3 Å Binding residue (original residue number in PDB) S426 L427 G430 F431 L434 T529 L532 I533 L578 F581 W582 Binding residue (residue number reindexed from 1) S425 L426 G429 F430 L433 T528 L531 I532 L577 F580 W581 Annotation score 1

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:0009536	plastid
GO:0009579	thylakoid
GO:0016020	membrane

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