Structure of PDB 7y5e Chain A2 Binding Site BS15

Receptor Information
>7y5e Chain A2 (length=745) Species: 35688 (Porphyridium purpureum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QEAKKVRITVDKDPVETSFEKWAKPGHFSRTLAKGPKTTTWIWNLHADAH
DFDGHTSSLEDVSRKIFSAHFGQLSVIFLWLSGMYFHGARFSNYVAWLSN
PTAIKPSAQVVWPIVGQDILNGDVGGGFQGVQITSGFFQLWRASGITNEK
QLYATAIGGLVMSALMLFAGWFHYHKAAPKLEWFQNVESMMNHHLAGLLG
LGCLSWAGHQIHVSLPINKLLDAGVAPSEIPLPHEFIVNRELMAQLYPSF
SKGLTPFFTLDWNAYSDFLTFKGGLNPITGGLWLSDTAHHHLALAVLFIV
AGHMYRTNWGIGHSMKEILEAHKGPFTGEGHKGLYEILTTSWHAQLAINL
AMIGSLSIIVAHHMYAMPPYPYIATDYPTQLSLFTHHMWIGGFCVTGAAA
HGAIFMVRDYSPAQNYNNLLDRMIRHRDAIISHLNWVCIFLGFHSFGLYI
HNDTMRALGRSQDMFSDTAIQLQPIFAQWIQSIHTLAPGNTAPNALAATS
YAFGGDIVAVNGKIAMMPIALGTADFMVHHIHAFTIHVTVLILLKGVLFA
RNSRLIPDKANLGFRFPCDGPGRGGTCQVSAWDHVFLGLFWMYNSLSIVI
FHFSWKMQSDVWGSVTPNGAVSHITGGNFAQSAITINGWLRDFLWAQASQ
VIQSYGSALSAYGLIFLGAHFVWAFSLMFLFSGRGYWQELIESIVWAHNK
LKLGPAIQPRALSITQGRAVGLAHYLVGGIGTTWAFFLARIIAVG
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 chain7y5e Chain A2 Residue 816 [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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PDB7y5e In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		G152 Q158 T162 S212 W213 H216 V220 P240 I244
Binding residue
(residue number reindexed from 1)		G145 Q151 T155 S205 W206 H209 V213 P233 I237
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:7y5e, PDBe:7y5e, PDBj:7y5e
PDBsum7y5e
PubMed36922595
UniProtW0S1N1

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