Structure of PDB 7y3f Chain A Binding Site BS06

Receptor Information
>7y3f Chain A (length=742) Species: 1180 (Nostoc sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKARVIVDKDPVPTSFEKWAQPGHFDRTLARGPKTTTWIWNLHALAHDFD
THTSDLEDISRKIFAAHFGHLAVVTIWLSGMIFHGAKFSNYEAWLSDPLN
VRPSAQVVWPIVGQDILNGDVGGGFHGIQITSGLFQVWRGWGITNSFQLY
CTAIGGLVLAGLFLFAGWFHYHKRAPKLEWFQNVESMLNHHLQVLLGCGS
LGWAGHLIHVSAPINKLMDAGVAVKDIPLPHEFILNKSLLIDLFPGFAAG
LTPFFTLNWGQYADFLTFKGGLNPVTGGLWMTDIAHHHLAIAVVFIIAGH
QYRTNWGIGHSIKEILENHKGPFTGEGHKGLYENLTTSWHAQLATNLAFL
GSLTIIIAHHMYAMPPYPYLATDYATQLCIFTHHIWIGGFLIVGGAAHAA
IFMVRDYDPVVNQNNVLDRVIRHRDAIISHLNWVCIFLGFHSFGLYIHND
TMRALGRPQDMFSDTAIQLQPVFAQWVQNLHTLAPGGTAPNALEPVSYAF
GGGVLAVGGKVAMMPIALGTADFLIHHIHAFTIHVTVLILLKGVLFARSS
RLIPDKANLGFRFPCDGPGRGGTCQVSGWDHVFLGLFWMYNSLSIVIFHF
SWKMQSDVWGTVDAAGNVSHITGGNFAQSAITINGWLRDFLWAQASQVIN
SYGSALSAYGLMFLGAHFVWAFSLMFLFSGRGYWQELIESIVWAHNKLKV
APAIQPRALSITQGRAVGVAHYLLGGIATTWAFFHAHILSVG
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 chain7y3f Chain A Residue 806 [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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PDB7y3f Structure of a monomeric photosystem I core associated with iron-stress-induced-A proteins from Anabaena sp. PCC 7120
Resolution2.62 Å
Binding residue
(original residue number in PDB)		H57 F59 I73 A76 H77 H80 L81 W349 H350 Q352 L353 N356
Binding residue
(residue number reindexed from 1)		H47 F49 I63 A66 H67 H70 L71 W339 H340 Q342 L343 N346
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:0009522 photosystem I
GO:0009579 thylakoid
GO:0016020 membrane
GO:0031676 plasma membrane-derived thylakoid membrane
GO:0042651 thylakoid membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7y3f, PDBe:7y3f, PDBj:7y3f
PDBsum7y3f
PubMed36805598
UniProtP58576|PSAA_NOSS1 Photosystem I P700 chlorophyll a apoprotein A1 (Gene Name=psaA)

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