Structure of PDB 6kmx Chain aB Binding Site BS48

Receptor Information
>6kmx Chain aB (length=727) Species: 1641165 (Halomicronema hongdechloris C2206) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATKFPKFSQDLQRDPTTRRLFYAIATAHDFESHDGMSEENLYQRIFASHF
GHLAIIFLWISGILFHVAWQGNFEQWIQDPLNNSPIAHAIWDAQFGPPAI
AAYTQAGAMNPVDICYSGVYHWWYTIGMRTNNDLFMGSIFLLLLSSVMLY
AGWLHLQPRFRPGLAWFKNAESRLNHHLAGLFGVSSLAWTGHLVHVALPE
SRGQHVGWDNFLSIRPHPEGLAPLFTGNWGAYAQNPDTAEHAFGTAQGAG
SAILTFLGGFHPQTESLWLTDMAHHHLAIAVIFIVAGHMYRTNFGIGHNI
KEMTEALQGGHKGIYDTYNNSLHFQLGWHLACLGVITSLVAQHMYAMPPY
AFMARDYTTMSALYTHHQYIAGFLMIGAFAHGAIFLIRDYDPEANRDNVL
ARMLAHKEAIISHLSWVSLFLGFHTLGLYVHNDCEVALGSPEKQILIEPV
FAQWTQAFHGKALYGINSLLSNPDSVASTAWPNYGNVWLSGWLEAVNNGA
NSLFLTIGPGDLLVHHAIALGLHVTTLILVKGALDARGSKLMPDKKDFGY
SFPCDGPGRGGTCDISAWDAFYLATFWMLNTLGWVTFYWHWKHLSVWSGN
VAQFNESSTYLMGWFRDYLWANSAQLINGYSPAGTNSLAVWAWMFLFGHL
AWAVSFMFLITWRGYWQELIETLMWAHENTPLSFGYPKDKPVALSIVQAR
LVGLTHFTVGYIATYGAFLIASTSSRF
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 chain6kmx Chain aB Residue 841 [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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PDB6kmx Structural basis for the adaptation and function of chlorophyll f in photosystem I.
Resolution2.41 Å
Binding residue
(original residue number in PDB)		M672 F673 T676 W677 R678 W681 A708 L709 A714
Binding residue
(residue number reindexed from 1)		M657 F658 T661 W662 R663 W666 A693 L694 A699
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
View graph for
Cellular Component
External links
PDB RCSB:6kmx, PDBe:6kmx, PDBj:6kmx
PDBsum6kmx
PubMed31932639
UniProtA0A1Z3HIL0

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