Structure of PDB 7y7a Chain Ao Binding Site BS16

Receptor Information
>7y7a Chain Ao (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 chain7y7a Chain Ao Residue 818 [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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PDB7y7a In situ structure of the red algal phycobilisome-PSII-PSI-LHC megacomplex.
Resolution4.3 Å
Binding residue
(original residue number in PDB)		L206 G209 C210 W213 Q217 T294 H297 H298 L301 F305 L363 V367 M371 P376
Binding residue
(residue number reindexed from 1)		L199 G202 C203 W206 Q210 T287 H290 H291 L294 F298 L356 V360 M364 P369
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:7y7a, PDBe:7y7a, PDBj:7y7a
PDBsum7y7a
PubMed36922595
UniProtW0S1N1

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