Structure of PDB 7lx0 Chain A Binding Site BS44

Receptor Information
>7lx0 Chain A (length=751) Species: 98439 (Fischerella thermalis PCC 7521) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVRVVVDNDPVPTSFQKWSQPGHFDRTLAKGAKTTTWIWNLHANAHDFDT
HTSDLEDISRKIFAAHFGHLAVVFIWLSGMYFHGARFSNFEAWMANPTGI
KPSAQVVWPIFGQEILNGDMGGGFHGIQITSGLFQMWRAAGFTNTFQLYC
TAIGGLVMAALMLFAGWFHYHKRAPKLEWFQNTQSMLNHHLAGLLGLGSL
GWTGHLIHVSLPTNKLLDTGVALKDIPLPHEFILNPSLMNKLYPHADWGF
VKGVVPFFTLQWGHFTDFLTFKGGLNPVTGGLWLTDVAHHHLAIAVMFII
AGHMYRTNWGIGHSIKEMLDDARTPNMLPFLSFIGPVGHKGLFEVLTTSW
HAQLSINLAMLGSLSIIIAHHMYAMPPYPYLATDYGTVVSLFTHHVWIGG
FLIVGGAAHAAIYMVRDYDPEQNFNNVLDRVLRHRDAIISHLAWVCQFLG
FHSFAMYCHNDTMRAFGRPQDMFSDTGIQLQPVFAQWLQHIHTMTIAAPN
LHDPVSYAFGGGVVAVGGKVAMMPITLGTADFLIHHIHAFTIHVTVLVLL
KGVLFARSSRLIPDKANLGFRFPCDGPGRGGTCQVSAWDHVFLGLFWMYN
SLSMVIFHFFWKMQSDVWGTVGADGVVTHITGGNFATSSITNNGWLRDFL
WAQSTQVITSYNTSLSAYGLMFLGGHFIFGFSLMFLFSGRGYWQELIESI
VWAHNKLKVAPAIQPRALSIIHGRAVGVAHYLLGGIVTTWAFFLARMTAF
G
Ligand information
Ligand IDPQN
InChIInChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
InChIKeyMBWXNTAXLNYFJB-NKFFZRIASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
ACDLabs 10.04O=C2c1c(cccc1)C(=O)C(=C2C)C\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C
CACTVS 3.341CC(C)CCC[CH](C)CCC[CH](C)CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
CACTVS 3.341CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(/C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
FormulaC31 H46 O2
NamePHYLLOQUINONE;
VITAMIN K1;
2-METHYL-3-PHYTYL-1,4-NAPHTHOQUINONE
ChEMBLCHEMBL1550
DrugBankDB01022
ZINCZINC000003831332
PDB chain7lx0 Chain A Residue 2001 [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)		M721 F722 S725 R727 W730 A754 L755
Binding residue
(residue number reindexed from 1)		M684 F685 S688 R690 W693 A717 L718
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7lx0, PDBe:7lx0, PDBj:7lx0
PDBsum7lx0
PubMed
UniProtG6FME9

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