Structure of PDB 7lx0 Chain B Binding Site BS12

Receptor Information
>7lx0 Chain B (length=739) Species: 98439 (Fischerella thermalis PCC 7521) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATKFPKFSQDLANDPTTRRIFYAIATAHDFESHDGMTEENLYQRIFASHF
GHLAIIFLWASGILFHVAWQGNFEVWIKDPVHVRPIAHAIWDAQFGPGAI
KAFTQAGARNPVDICYSGVYHWWYTIGLRTNTELYVGALFLILLAAVFLF
AGWLHLQPRYRPNLGWFKNSEARLNHHLAGLFGVSSLAWAGHLVHVAIPE
SRGQHVGWDNFLSTPPHPAGLWAFFTGNWGAYAQNPDTAEHVFSTSQGAG
TAILTFLGGFHPQTQSLWLTDMAHHHLAIAVVLIIAGHMYRTNWRIGHSI
KEMMDSKTFFGRKVEGPFNLPHQGLYETVNNSLHFQLSLALACLGVASSL
TAQHMYSMPPYAFIAKDFTTMAALYTHHQYIAGFLMVGAFSHAAIFWIKD
YDPEQNKGNVLERVLKHKEAIIAHLSWVSLFLGFHTLGLYVHNDVEVAFG
AADKQILIEPVFAQFIQSANGKILYGFHTLLSNPDSIAFTAWPNHANVWL
PGWLDAINNGTNSLFLTIGPGDFYVHHAIALGLHVTTLILVKGALDARGS
KLMPDKKDFGYAFPCDGPGRGGTCDISAWDASYLAVFWMLNTLGWVTFYW
HWKHLSIWQGNVAQFNESSTYLMGWFRDYLWANSAQLINGYNPYGTNNLA
VWAWMFLFGHLAWAVSFMFLITWRGYWQELIETLAWAHEQTPLSFGYWRD
KPVALSIVQARLVGLTHFTVGYIATYGAFLIASTASKFG
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 chain7lx0 Chain B Residue 1202 [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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PDB7lx0 Quantitative assessment of chlorophyll types in cryo-EM maps of photosystem I acclimated to far-red light
Resolution2.96 Å
Binding residue
(original residue number in PDB)		F31 I46 S49 H50 H53 R174 L334 Q337 L338 A341
Binding residue
(residue number reindexed from 1)		F30 I45 S48 H49 H52 R173 L333 Q336 L337 A340
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:7lx0, PDBe:7lx0, PDBj:7lx0
PDBsum7lx0
PubMed
UniProtG6FMF0

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