Structure of PDB 7a4p Chain B Binding Site BS07

Receptor Information
>7a4p Chain B (length=731) Species: 2649997 (Chlorella ohadii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLFPKFSQALAQDPTTRRIWFGIATAHDFESHDGMTEERLYQKIFASHFG
QLAIIFLWTSGNLFHVAWQGNFEQWVQDPLHIRPIAHAIWDPHFGQPAVE
AFTRGGASGPVNISTSGVYQWWYTIGLRTNQELYTGSIFLLVLAALFLFA
GWLHLQPAFQPALSWFKNAESRLNHHLAGLFGVSSLAWTGHLVHVAIPES
RGQHVGWDNFLTVLPHPAGLTPFFTGNWAAYAENPDSASHVFNTAQGSGT
AILTFLGGFHPQTQSLWLTDMAHHHLAIAVIFILAGHMYRTIFGIGHSMR
EILEAQTPPSGSLGAGHKGLYDTVNNSLHFQLGLALASVGTISSLVAQHM
YSLPPYAFLAQDFTTQAALYTHHQYIAGFIMCGAFAHGAIFFVRDYDPAQ
NRGNVLARILDHKEALISHLSWASLFLGFHTLGLYVHNDVVQAFGTPEKQ
ILIEPVFAQWIQAAHGKTAYGFDFLLSSATSAPSLAGQALWLPGWLQGIN
SDANSLFLTIGPGDFLVHHAIALGLHTTTLILVKGALDARGSKLMPDKKD
FGYSFPCDGPGRGGTCDISAWDAFYLAVFWMLNTIGWVTFYWHWKHLGIW
QGNVNQFNESSTYLMGWLRDYLWLNSSQLINGYNPFGMNSLSVWAWMFLF
GHLIYATGFMFLISWRGYWQELIETLAWAHERTPLANLVRWRDKPVALSI
VQARLVGLTHFSVGYVLTYAAFLIASTSGKF
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 chain7a4p Chain B Residue 1021 [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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PDB7a4p Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
Resolution4.2 Å
Binding residue
(original residue number in PDB)		Y438 A523 W590 F593 W620 L625 F651 Y658 Y718 T721 Y722 F725
Binding residue
(residue number reindexed from 1)		Y435 A520 W587 F590 W617 L622 F648 Y655 Y715 T718 Y719 F722
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:0009535 chloroplast thylakoid membrane
GO:0009579 thylakoid
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7a4p, PDBe:7a4p, PDBj:7a4p
PDBsum7a4p
PubMed34462576
UniProtW8SUA3

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