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- EMDB-71652: Structure of the D1-Val185Asn mutated photosystem II complex with... -

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Basic information

Entry
Database: EMDB / ID: EMD-71652
TitleStructure of the D1-Val185Asn mutated photosystem II complex with slow O-O bond formation reveals changes in the Cl1 water channel
Map dataunsharpened map, nonmasked
Sample
  • Complex: photosystem II
    • Protein or peptide: x 21 types
  • Ligand: x 17 types
Keywordsphotosynthesis / photosystem II / water oxidation / oxygen-evolving complex / D1-V185N
Function / homology
Function and homology information


plasma membrane-derived thylakoid photosystem II / photosystem II oxygen evolving complex / photosystem II assembly / oxygen evolving activity / photosystem II stabilization / photosystem II reaction center / photosystem II / oxidoreductase activity, acting on diphenols and related substances as donors, oxygen as acceptor / photosynthetic electron transport chain / photosystem II ...plasma membrane-derived thylakoid photosystem II / photosystem II oxygen evolving complex / photosystem II assembly / oxygen evolving activity / photosystem II stabilization / photosystem II reaction center / photosystem II / oxidoreductase activity, acting on diphenols and related substances as donors, oxygen as acceptor / photosynthetic electron transport chain / photosystem II / extrinsic component of membrane / response to herbicide / : / chlorophyll binding / plasma membrane-derived thylakoid membrane / photosynthetic electron transport in photosystem II / phosphate ion binding / photosynthesis, light reaction / photosynthesis / respiratory electron transport chain / manganese ion binding / electron transfer activity / protein stabilization / iron ion binding / heme binding / calcium ion binding / metal ion binding / identical protein binding
Similarity search - Function
Photosystem II PsbQ, cyanobacteria / Oxygen-evolving enhancer protein 3 / Oxygen evolving enhancer protein 3 / PsbQ-like domain superfamily / Photosystem II protein Y (PsbY) / Photosystem II PsbY / Photosystem II PsbU, oxygen evolving complex / Photosystem II 12 kDa extrinsic protein (PsbU) / Photosystem II PsbV, cytochrome c-550 precursor / Photosystem II cytochrome c-550 precursor ...Photosystem II PsbQ, cyanobacteria / Oxygen-evolving enhancer protein 3 / Oxygen evolving enhancer protein 3 / PsbQ-like domain superfamily / Photosystem II protein Y (PsbY) / Photosystem II PsbY / Photosystem II PsbU, oxygen evolving complex / Photosystem II 12 kDa extrinsic protein (PsbU) / Photosystem II PsbV, cytochrome c-550 precursor / Photosystem II cytochrome c-550 precursor / Cytochrome c-550 domain / Cytochrome c-550 domain / Photosystem II PsbJ / Photosystem II PsbX, type 1 subfamily / Photosystem II PsbJ superfamily / PsbJ / Photosystem II PsbO, manganese-stabilising / Manganese-stabilising protein / photosystem II polypeptide / Photosystem II reaction centre protein Ycf12 / Photosystem II complex subunit Ycf12 / Photosystem II reaction centre M protein (PsbM) / Photosystem II PsbM superfamily / Photosystem II PsbM / Photosystem II PsbZ, reaction centre / Photosystem II PsbZ superfamily / YCF9 / Photosystem II PsbX / Photosystem II reaction centre X protein (PsbX) / Photosystem II PsbT / Photosystem II PsbL / Photosystem II PsbL superfamily / Photosystem II PsbT superfamily / Photosystem II reaction centre T protein / PsbL protein / Photosystem II PsbK / Photosystem II CP43 reaction centre protein / Photosystem II PsbK superfamily / Photosystem II CP43 reaction centre protein superfamily / Photosystem II 4 kDa reaction centre component / Photosystem II PsbI / Photosystem II CP47 reaction centre protein / Photosystem II PsbI superfamily / Photosystem II reaction centre I protein (PSII 4.8 kDa protein) / Photosystem II reaction centre protein H / Photosystem II protein D1 / Photosystem II D2 protein / Photosystem II cytochrome b559, conserved site / Photosystem II cytochrome b559, alpha subunit / Photosystem II cytochrome b559, beta subunit / Photosystem II cytochrome b559, N-terminal / Photosystem II cytochrome b559, alpha subunit, lumenal region / Photosystem II reaction centre protein H superfamily / Photosystem II cytochrome b559, alpha subunit superfamily / Cytochrome b559, alpha (gene psbE) and beta (gene psbF)subunits / Lumenal portion of Cytochrome b559, alpha (gene psbE) subunit / Photosystem II 10 kDa phosphoprotein / Cytochrome b559 subunits heme-binding site signature. / : / Photosystem antenna protein-like / Photosystem antenna protein-like superfamily / Photosystem II protein / Outer membrane protein/outer membrane enzyme PagP, beta-barrel / : / Photosynthetic reaction centre, L/M / Photosystem II protein D1/D2 superfamily / Photosynthetic reaction centre protein / Photosynthetic reaction center proteins signature. / Cytochrome c family profile. / Cytochrome c-like domain / Cytochrome c-like domain superfamily / Prokaryotic membrane lipoprotein lipid attachment site profile.
Similarity search - Domain/homology
Photosystem II CP47 reaction center protein / Cytochrome b559 subunit alpha / Cytochrome b559 subunit beta / Photosystem II D2 protein / Photosystem II CP43 reaction center protein / Photosystem II extrinsic protein O / Photosystem II reaction center protein H / Photosystem II reaction center protein K / Photosystem II protein D1 2 / Photosystem II reaction center protein X ...Photosystem II CP47 reaction center protein / Cytochrome b559 subunit alpha / Cytochrome b559 subunit beta / Photosystem II D2 protein / Photosystem II CP43 reaction center protein / Photosystem II extrinsic protein O / Photosystem II reaction center protein H / Photosystem II reaction center protein K / Photosystem II protein D1 2 / Photosystem II reaction center protein X / Photosystem II reaction center protein M / CyanoQ / Photosystem II reaction center protein J / Photosystem II reaction center protein Z / Photosystem II reaction center protein Y / Photosystem II reaction center protein T / Photosystem II reaction center protein I / Photosystem II extrinsic protein V / Photosystem II extrinsic protein U / Photosystem II reaction center protein L / Photosystem II reaction center protein Psb30
Similarity search - Component
Biological speciesSynechocystis sp. PCC 6803 (bacteria)
Methodsingle particle reconstruction / cryo EM / Resolution: 1.99 Å
AuthorsFlesher DA / Debus RJ / Brudvig GW
Funding support United States, 1 items
OrganizationGrant numberCountry
Department of Energy (DOE, United States) United States
CitationJournal: Proc Natl Acad Sci U S A / Year: 2025
Title: Structure of the D1-Val185Asn mutated photosystem II complex with slow O-O bond formation reveals changes in the Cl1 water channel.
Authors: David A Flesher / Richard J Debus / Gary W Brudvig /
Abstract: During photosynthesis, the photosystem II (PSII) enzyme catalyzes the light-driven oxidation of water, fueling life on Earth by storing light energy and releasing O as a byproduct. Determining the ...During photosynthesis, the photosystem II (PSII) enzyme catalyzes the light-driven oxidation of water, fueling life on Earth by storing light energy and releasing O as a byproduct. Determining the molecular mechanism for this water oxidation reaction has been of significant interest for the development of synthetic catalysts, but many details remain elusive. One of the open questions is how protons are strategically removed from the active site, a MnCaO cluster called the oxygen-evolving complex (OEC), during the reaction cycle via conserved water channels, and how proton transfer contributes to O-O bond formation energetics. Site-directed mutagenesis studies have investigated the role of conserved amino acid side chains in facilitating proton transfer. One of the most influential mutations is the Val185Asn substitution on the D1 subunit, which substantially slows O release kinetics without abolishing catalytic activity. Forming a molecular understanding of how this mutation affects the active site will provide insight into the water oxidation reaction mechanism. Here, we investigated the structural basis of the Val185Asn substitution by determining a 1.99 Å-resolution cryo-EM structure. We observed that Asn185 orients away from the OEC and donates a H-bond to Cl1, a conserved chloride ion. We furthermore observed an alternative D2-Glu312-facing conformation of the D2-Lys317 side chain in the Cl1 water channel, a conformation that is consistent with recent models for proton transfer. These changes also produce perturbations to the hydrogen-bonding network. Overall, these finding provide insight into proton transfer in the Cl1 channel and its effect on the water oxidation reaction mechanism.
History
DepositionJul 9, 2025-
Header (metadata) releaseOct 22, 2025-
Map releaseOct 22, 2025-
UpdateNov 26, 2025-
Current statusNov 26, 2025Processing site: RCSB / Status: Released

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Structure visualization

Supplemental images

emd_71652.png

Downloads & links

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Map

FileDownload / File: emd_71652.map.gz / Format: CCP4 / Size: 824 MB / Type: IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES)
Annotationunsharpened map, nonmasked
Projections & slices

Image control

Size
Brightness
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Others
AxesZ (Sec.)Y (Row.)X (Col.)
0.65 Å/pix.
x 600 pix.
= 389.4 Å		0.65 Å/pix.
x 600 pix.
= 389.4 Å		0.65 Å/pix.
x 600 pix.
= 389.4 Å

Surface

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Slices (2/3)

Images are generated by Spider.

Voxel sizeX=Y=Z: 0.649 Å
Density

Histogram

Histogram (log scale)
Contour LevelBy AUTHOR: 0.0022
Minimum - Maximum-0.007604189 - 0.03181528
Average (Standard dev.)0.00003542594 (±0.00068686286)
SymmetrySpace group: 1
Details

EMDB XML:

Map geometry
Axis orderXYZ
Origin000
Dimensions600600600
Spacing600600600
CellA=B=C: 389.4 Å
α=β=γ: 90.0 °

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Supplemental data

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Additional map: sharpened map, nonmasked

Fileemd_71652_additional_1.map
Annotationsharpened map, nonmasked
Projections & Slices
AxesZYX

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Histogram

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Half map: half map 1

Fileemd_71652_half_map_1.map
Annotationhalf map 1
Projections & Slices
AxesZYX

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Slices (1/2)
Density Histograms

Histogram

Histogram (log scale)

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Half map: half map 2

Fileemd_71652_half_map_2.map
Annotationhalf map 2
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Sample components

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Entire : photosystem II

EntireName: photosystem II
Components
  • Complex: photosystem II
    • Protein or peptide: Photosystem II protein D1 2
    • Protein or peptide: Photosystem II CP47 reaction center protein
    • Protein or peptide: Photosystem II CP43 reaction center protein
    • Protein or peptide: Photosystem II D2 protein
    • Protein or peptide: Cytochrome b559 subunit alpha
    • Protein or peptide: Cytochrome b559 subunit beta
    • Protein or peptide: Photosystem II reaction center protein H
    • Protein or peptide: Photosystem II reaction center protein I
    • Protein or peptide: Photosystem II reaction center protein J
    • Protein or peptide: Photosystem II reaction center protein K
    • Protein or peptide: Photosystem II reaction center protein L
    • Protein or peptide: Photosystem II reaction center protein M
    • Protein or peptide: Photosystem II manganese-stabilizing polypeptide
    • Protein or peptide: Sll1638 protein
    • Protein or peptide: Photosystem II protein Y
    • Protein or peptide: Photosystem II reaction center protein T
    • Protein or peptide: Photosystem II 12 kDa extrinsic protein
    • Protein or peptide: Cytochrome c-550
    • Protein or peptide: Photosystem II reaction center X protein
    • Protein or peptide: Photosystem II reaction center protein Ycf12
    • Protein or peptide: Photosystem II reaction center protein Z
  • Ligand: CA-MN4-O5 CLUSTER
  • Ligand: FE (II) ION
  • Ligand: CHLORIDE ION
  • Ligand: CHLOROPHYLL A
  • Ligand: PHEOPHYTIN A
  • Ligand: BETA-CAROTENE
  • Ligand: 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE
  • Ligand: 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE
  • Ligand: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL
  • Ligand: DODECYL-BETA-D-MALTOSIDE
  • Ligand: BICARBONATE ION
  • Ligand: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE
  • Ligand: DIGALACTOSYL DIACYL GLYCEROL (DGDG)
  • Ligand: PROTOPORPHYRIN IX CONTAINING FE
  • Ligand: (3R)-beta,beta-caroten-3-ol
  • Ligand: CALCIUM ION
  • Ligand: water

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Supramolecule #1: photosystem II

SupramoleculeName: photosystem II / type: complex / ID: 1 / Parent: 0 / Macromolecule list: #1-#21
Details: photosystem II containing the V185N substitution on the D1 subunit

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Macromolecule #1: Photosystem II protein D1 2

MacromoleculeName: Photosystem II protein D1 2 / type: protein_or_peptide / ID: 1 / Number of copies: 2 / Enantiomer: LEVO / EC number: photosystem II
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 38.2955 KDa
Recombinant expressionOrganism: Synechocystis sp. PCC 6803 (bacteria)
SequenceString: MTTTLQQRES ASLWEQFCQW VTSTNNRIYV GWFGTLMIPT LLTATTCFII AFIAAPPVDI DGIREPVAGS LLYGNNIISG AVVPSSNAI GLHFYPIWEA ASLDEWLYNG GPYQLVVFHF LIGIFCYMGR QWELSYRLGM RPWICVAYSA PVSAATAVFL I YPIGQGSF ...String:
MTTTLQQRES ASLWEQFCQW VTSTNNRIYV GWFGTLMIPT LLTATTCFII AFIAAPPVDI DGIREPVAGS LLYGNNIISG AVVPSSNAI GLHFYPIWEA ASLDEWLYNG GPYQLVVFHF LIGIFCYMGR QWELSYRLGM RPWICVAYSA PVSAATAVFL I YPIGQGSF SDGMPLGISG TFNFMINFQA EHNILMHPFH MLGVAGVFGG SLFSAMHGSL VTSSLVRETT EVESQNYGYK FG QEEETYN IVAAHGYFGR LIFQYASFNN SRSLHFFLGA WPVIGIWFTA MGVSTMAFNL NGFNFNQSIL DSQGRVIGTW ADV LNRANI GFEVMHERNA HNFPLDLA

UniProtKB: Photosystem II protein D1 2

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Macromolecule #2: Photosystem II CP47 reaction center protein

MacromoleculeName: Photosystem II CP47 reaction center protein / type: protein_or_peptide / ID: 2 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 56.783242 KDa
Recombinant expressionOrganism: Synechocystis sp. PCC 6803 (bacteria)
SequenceString: MGLPWYRVHT VVLNDPGRLI SVHLMHTALV AGWAGSMALY ELAIFDSSDA VLNPMWRQGM FVLPFMARLG VTSSWNGWSV TGETGLDPG FWSFEGVAAA HIVLSGLLFL AAVWHWVFWD LELFVDPRTG ESALDLPKMF GIHLFLSGLL CFGFGAFHLT G VWGPGMWV ...String:
MGLPWYRVHT VVLNDPGRLI SVHLMHTALV AGWAGSMALY ELAIFDSSDA VLNPMWRQGM FVLPFMARLG VTSSWNGWSV TGETGLDPG FWSFEGVAAA HIVLSGLLFL AAVWHWVFWD LELFVDPRTG ESALDLPKMF GIHLFLSGLL CFGFGAFHLT G VWGPGMWV SDPYGLTGHV QPVAPEWGPA GFNPFNPGGV VAHHIAAGIV GIIAGLFHLT VRPPERLYKA LRMGNIETVL SS SIAAVFF AAFVVAGTMW YGNATTPIEL FGPTRYQWDK GYFQEEIQRR VDSQLAEGAS LSEAWSTIPE KLAFYDYVGN SPA KGGLFR TGAMNSGDGI AQEWIGHPIF KDKEGRELEV RRMPNFFETF PVIMTDADGV VRADIPFRRS ESKFSVEQTG VTVS FYGGA LDGQTFSNPS DVKKFARKAQ LGEGFDFDTE TFNSDGVFRT SPRGWFTFGH AVFALLFFFG HIWHGSRTLF RDVFA GVDP GLEEQVEFGV FAKVGDLSTR KEAHHHHHH

UniProtKB: Photosystem II CP47 reaction center protein

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Macromolecule #3: Photosystem II CP43 reaction center protein

MacromoleculeName: Photosystem II CP43 reaction center protein / type: protein_or_peptide / ID: 3 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 50.344723 KDa
SequenceString: MVTLSNTSMV GGRDLPSTGF AWWSGNARLI NLSGKLLGAH VAHAGLIVFW AGAMTLFEVA HFIPEKPMYE QGLILLPHIA TLGWGVGPA GEVTDIFPFF VVGVLHLISS AVLGLGGIYH ALRGPEVLEE YSSFFGYDWK DKNQMTNIIG YHLILLGCGA L LLVFKAMF ...String:
MVTLSNTSMV GGRDLPSTGF AWWSGNARLI NLSGKLLGAH VAHAGLIVFW AGAMTLFEVA HFIPEKPMYE QGLILLPHIA TLGWGVGPA GEVTDIFPFF VVGVLHLISS AVLGLGGIYH ALRGPEVLEE YSSFFGYDWK DKNQMTNIIG YHLILLGCGA L LLVFKAMF FGGVYDTWAP GGGDVRVITN PTLNPAIIFG YLLKAPFGGE GWIISVNNME DIIGGHIWIG LICISGGIWH IL TKPFGWA RRALIWSGEA YLSYSLGALS LMGFIASVFV WFNNTAYPSE FYGPTGMEAS QSQAFTFLVR DQRLGANIAS AQG PTGLGK YLMRSPSGEI IFGGETMRFW DFRGPWLEPL RGPNGLDLDK LRNDIQPWQV RRAAEYMTHA PLGSLNSVGG VITD VNSFN YVSPRAWLAT SHFVLGFFFL VGHLWHAGRA RAAAAGFEKG IDRETEPTLF MPDLD

UniProtKB: Photosystem II CP43 reaction center protein

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Macromolecule #4: Photosystem II D2 protein

MacromoleculeName: Photosystem II D2 protein / type: protein_or_peptide / ID: 4 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 39.519238 KDa
SequenceString: MTIAVGRAPV ERGWFDVLDD WLKRDRFVFI GWSGLLLFPC AFMALGGWLT GTTFVTSWYT HGLASSYLEG ANFLTVAVSS PADAFGHSL LFLWGPEAQG NLTRWFQIGG LWPFVALHGA FGLIGFMLRQ FEISRLVGIR PYNAIAFSGP IAVFVSVFLM Y PLGQSSWF ...String:
MTIAVGRAPV ERGWFDVLDD WLKRDRFVFI GWSGLLLFPC AFMALGGWLT GTTFVTSWYT HGLASSYLEG ANFLTVAVSS PADAFGHSL LFLWGPEAQG NLTRWFQIGG LWPFVALHGA FGLIGFMLRQ FEISRLVGIR PYNAIAFSGP IAVFVSVFLM Y PLGQSSWF FAPSFGVAGI FRFILFLQGF HNWTLNPFHM MGVAGILGGA LLCAIHGATV ENTLFEDGED SNTFRAFEPT QA EETYSMV TANRFWSQIF GIAFSNKRWL HFFMLFVPVT GLWMSSVGIV GLALNLRAYD FVSQELRAAE DPEFETFYTK NIL LNEGMR AWMAPQDQPH ENFIFPEEVL PRGNAL

UniProtKB: Photosystem II D2 protein

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Macromolecule #5: Cytochrome b559 subunit alpha

MacromoleculeName: Cytochrome b559 subunit alpha / type: protein_or_peptide / ID: 5 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 9.454577 KDa
SequenceString:
MSGTTGERPF SDIVTSIRYW VIHSITIPML FIAGWLFVST GLAYDAFGTP RPDEYFTQTR QELPILQERY DINQEIQEFN Q

UniProtKB: Cytochrome b559 subunit alpha

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Macromolecule #6: Cytochrome b559 subunit beta

MacromoleculeName: Cytochrome b559 subunit beta / type: protein_or_peptide / ID: 6 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 4.935784 KDa
SequenceString:
MATQNPNQPV TYPIFTVRWL AVHTLAVPSV FFVGAIAAMQ FIQR

UniProtKB: Cytochrome b559 subunit beta

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Macromolecule #7: Photosystem II reaction center protein H

MacromoleculeName: Photosystem II reaction center protein H / type: protein_or_peptide / ID: 7 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 7.120404 KDa
SequenceString:
MAQRTRLGDI LRPLNSEYGK VVPGWGTTPV MGVFMALFLV FLLIILQIYN SSLILEGFSV DWAG

UniProtKB: Photosystem II reaction center protein H

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Macromolecule #8: Photosystem II reaction center protein I

MacromoleculeName: Photosystem II reaction center protein I / type: protein_or_peptide / ID: 8 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 4.338119 KDa
SequenceString:
(FME)LTLKIAVYI VVGLFISLFI FGFLSSDPTR NPGRKDFE

UniProtKB: Photosystem II reaction center protein I

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Macromolecule #9: Photosystem II reaction center protein J

MacromoleculeName: Photosystem II reaction center protein J / type: protein_or_peptide / ID: 9 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 3.470116 KDa
SequenceString:
GRIPLWVVGV VAGIGAIGVL GLFFYGAYAG LGSSM

UniProtKB: Photosystem II reaction center protein J

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Macromolecule #10: Photosystem II reaction center protein K

MacromoleculeName: Photosystem II reaction center protein K / type: protein_or_peptide / ID: 10 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 5.114127 KDa
SequenceString:
METIYLLAKL PEAYQIFDPL VDVLPVIPLF FLALAFVWQA AVGFK

UniProtKB: Photosystem II reaction center protein K

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Macromolecule #11: Photosystem II reaction center protein L

MacromoleculeName: Photosystem II reaction center protein L / type: protein_or_peptide / ID: 11 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 4.476145 KDa
SequenceString:
MDRNSNPNRQ PVELNRTSLY LGLLLVAVLG ILFSSYFFN

UniProtKB: Photosystem II reaction center protein L

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Macromolecule #12: Photosystem II reaction center protein M

MacromoleculeName: Photosystem II reaction center protein M / type: protein_or_peptide / ID: 12 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 3.910639 KDa
SequenceString:
(FME)QVNNLGFIA SILFVLVPTV FLLILFIQTG KQSES

UniProtKB: Photosystem II reaction center protein M

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Macromolecule #13: Photosystem II manganese-stabilizing polypeptide

MacromoleculeName: Photosystem II manganese-stabilizing polypeptide / type: protein_or_peptide / ID: 13 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 29.939584 KDa
SequenceString: MRFRPSIVAL LSVCFGLLTF LYSGSAFAVD KSQLTYDDIV NTGLANVCPE ISSFTRGTIE VEPNTKYFVS DFCMEPQEYF VKEEPVNKR QKAEYVKGKV LTRQTTSLEQ IRGSIAVGAD GTLTFKEKDG IDFQPITVLL PGGEEVPFFF TVKNFTGTTE P GFTSINSS ...String:
MRFRPSIVAL LSVCFGLLTF LYSGSAFAVD KSQLTYDDIV NTGLANVCPE ISSFTRGTIE VEPNTKYFVS DFCMEPQEYF VKEEPVNKR QKAEYVKGKV LTRQTTSLEQ IRGSIAVGAD GTLTFKEKDG IDFQPITVLL PGGEEVPFFF TVKNFTGTTE P GFTSINSS TDFVGDFNVP SYRGAGFLDP KARGLYTGYD NAVALPSAAD KFRTNKKETP LGKGTLSLQV TQVDGSTGEI AG IFESEQP SDTDLGAKEP LDVKVRGIFY GRVDTDV

UniProtKB: Photosystem II extrinsic protein O

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Macromolecule #14: Sll1638 protein

MacromoleculeName: Sll1638 protein / type: protein_or_peptide / ID: 14 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 16.494934 KDa
SequenceString:
MSRLRSLLSL ILVLVTTVLV SCSSPQVEIP TTYSPEKIAQ LQVYVNPIAV ARDGMEKRLQ GLIADQNWVD TQTYIHGPLG QLRRDMLGL ASSLLPKDQD KAKTLAKEVF GHLERLDAAA KDRNGSQAKI QYQEALADFD SFLNLLPQAS

UniProtKB: CyanoQ

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Macromolecule #15: Photosystem II protein Y

MacromoleculeName: Photosystem II protein Y / type: protein_or_peptide / ID: 15 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 4.204958 KDa
SequenceString:
MDWRVIVVVS PLLIAATWAA INIGAAAIRQ LQDVLGREA

UniProtKB: Photosystem II reaction center protein Y

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Macromolecule #16: Photosystem II reaction center protein T

MacromoleculeName: Photosystem II reaction center protein T / type: protein_or_peptide / ID: 16 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 3.571318 KDa
SequenceString:
(FME)ESVAYILVL TMALAVLFFA IAFREPPRIE K

UniProtKB: Photosystem II reaction center protein T

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Macromolecule #17: Photosystem II 12 kDa extrinsic protein

MacromoleculeName: Photosystem II 12 kDa extrinsic protein / type: protein_or_peptide / ID: 17 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 14.256163 KDa
SequenceString:
MKFISRLLVA CSLLIGLMGF LGADLAQALT PNPILAELNA VDAKLTTDFG QKIDLNNSDI RDFRGLRGFY PNLASEIIKN APYDTVEEV LDIPGLSETQ KSRLEANLGS FTVTEPSIEL TSGDDRINPG VY

UniProtKB: Photosystem II extrinsic protein U

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Macromolecule #18: Cytochrome c-550

MacromoleculeName: Cytochrome c-550 / type: protein_or_peptide / ID: 18 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 17.901045 KDa
SequenceString:
MKRFFLVAIA SVLFFFNTMV GSANAVELTE STRTIPLDEA GGTTTLTARQ FTNGQKIFVD TCTQCHLQGK TKTNNNVSLG LADLAGAEP RRDNVLALVE FLKNPKSYDG EDDYSELHPN ISRPDIYPEM RNYTEDDIFD VAGYTLIAPK LDERWGGTIY F

UniProtKB: Photosystem II extrinsic protein V

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Macromolecule #19: Photosystem II reaction center X protein

MacromoleculeName: Photosystem II reaction center X protein / type: protein_or_peptide / ID: 19 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 4.189036 KDa
SequenceString:
MTPSLANFLW SLVLGAAIVL IPATVGLIFI SQKDKITRS

UniProtKB: Photosystem II reaction center protein X

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Macromolecule #20: Photosystem II reaction center protein Ycf12

MacromoleculeName: Photosystem II reaction center protein Ycf12 / type: protein_or_peptide / ID: 20 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 4.143993 KDa
SequenceString:
MELLAALNLE PIFQLTFLGL IVLAGPAVVF VLAFRGGDL

UniProtKB: Photosystem II reaction center protein Psb30

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Macromolecule #21: Photosystem II reaction center protein Z

MacromoleculeName: Photosystem II reaction center protein Z / type: protein_or_peptide / ID: 21 / Number of copies: 2 / Enantiomer: LEVO
Source (natural)Organism: Synechocystis sp. PCC 6803 (bacteria)
Molecular weightTheoretical: 6.736161 KDa
SequenceString:
MSIVFQIALA ALVLFSFVMV VGVPVAYASP QNWDRSKPLL YLGSGIWAIL VIVVALLNFL VV

UniProtKB: Photosystem II reaction center protein Z

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Macromolecule #22: CA-MN4-O5 CLUSTER

MacromoleculeName: CA-MN4-O5 CLUSTER / type: ligand / ID: 22 / Number of copies: 2 / Formula: OEX
Molecular weightTheoretical: 339.827 Da
Chemical component information

ChemComp-OEX:
CA-MN4-O5 CLUSTER

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Macromolecule #23: FE (II) ION

MacromoleculeName: FE (II) ION / type: ligand / ID: 23 / Number of copies: 2 / Formula: FE2
Molecular weightTheoretical: 55.845 Da

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Macromolecule #24: CHLORIDE ION

MacromoleculeName: CHLORIDE ION / type: ligand / ID: 24 / Number of copies: 4 / Formula: CL
Molecular weightTheoretical: 35.453 Da

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Macromolecule #25: CHLOROPHYLL A

MacromoleculeName: CHLOROPHYLL A / type: ligand / ID: 25 / Number of copies: 70 / Formula: CLA
Molecular weightTheoretical: 893.489 Da
Chemical component information

ChemComp-CLA:
CHLOROPHYLL A

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Macromolecule #26: PHEOPHYTIN A

MacromoleculeName: PHEOPHYTIN A / type: ligand / ID: 26 / Number of copies: 4 / Formula: PHO
Molecular weightTheoretical: 871.2 Da
Chemical component information

ChemComp-PHO:
PHEOPHYTIN A

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Macromolecule #27: BETA-CAROTENE

MacromoleculeName: BETA-CAROTENE / type: ligand / ID: 27 / Number of copies: 18 / Formula: BCR
Molecular weightTheoretical: 536.873 Da
Chemical component information

ChemComp-BCR:
BETA-CAROTENE

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Macromolecule #28: 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE

MacromoleculeName: 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE / type: ligand / ID: 28 / Number of copies: 14 / Formula: LMG
Molecular weightTheoretical: 787.158 Da
Chemical component information

ChemComp-LMG:
1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE

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Macromolecule #29: 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,...

MacromoleculeName: 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE
type: ligand / ID: 29 / Number of copies: 4 / Formula: PL9
Molecular weightTheoretical: 749.201 Da
Chemical component information

ChemComp-PL9:
2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE

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Macromolecule #30: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL

MacromoleculeName: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL
type: ligand / ID: 30 / Number of copies: 14 / Formula: SQD
Molecular weightTheoretical: 795.116 Da
Chemical component information

ChemComp-SQD:
1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL

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Macromolecule #31: DODECYL-BETA-D-MALTOSIDE

MacromoleculeName: DODECYL-BETA-D-MALTOSIDE / type: ligand / ID: 31 / Number of copies: 62 / Formula: LMT
Molecular weightTheoretical: 510.615 Da
Chemical component information

ChemComp-LMT:
DODECYL-BETA-D-MALTOSIDE / detergent*YM

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Macromolecule #32: BICARBONATE ION

MacromoleculeName: BICARBONATE ION / type: ligand / ID: 32 / Number of copies: 2 / Formula: BCT
Molecular weightTheoretical: 61.017 Da
Chemical component information

ChemComp-BCT:
BICARBONATE ION

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Macromolecule #33: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE

MacromoleculeName: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE / type: ligand / ID: 33 / Number of copies: 14 / Formula: LHG
Molecular weightTheoretical: 722.97 Da
Chemical component information

ChemComp-LHG:
1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE / phospholipid*YM

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Macromolecule #34: DIGALACTOSYL DIACYL GLYCEROL (DGDG)

MacromoleculeName: DIGALACTOSYL DIACYL GLYCEROL (DGDG) / type: ligand / ID: 34 / Number of copies: 8 / Formula: DGD
Molecular weightTheoretical: 949.299 Da
Chemical component information

ChemComp-DGD:
DIGALACTOSYL DIACYL GLYCEROL (DGDG)

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Macromolecule #35: PROTOPORPHYRIN IX CONTAINING FE

MacromoleculeName: PROTOPORPHYRIN IX CONTAINING FE / type: ligand / ID: 35 / Number of copies: 4 / Formula: HEM
Molecular weightTheoretical: 616.487 Da
Chemical component information

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

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Macromolecule #36: (3R)-beta,beta-caroten-3-ol

MacromoleculeName: (3R)-beta,beta-caroten-3-ol / type: ligand / ID: 36 / Number of copies: 2 / Formula: RRX
Molecular weightTheoretical: 552.872 Da
Chemical component information

ChemComp-RRX:
(3R)-beta,beta-caroten-3-ol

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Macromolecule #37: CALCIUM ION

MacromoleculeName: CALCIUM ION / type: ligand / ID: 37 / Number of copies: 6 / Formula: CA
Molecular weightTheoretical: 40.078 Da

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Macromolecule #38: water

MacromoleculeName: water / type: ligand / ID: 38 / Number of copies: 1016 / Formula: HOH
Molecular weightTheoretical: 18.015 Da
Chemical component information

ChemComp-HOH:
WATER

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Experimental details

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Structure determination

Methodcryo EM
Processingsingle particle reconstruction
Aggregation stateparticle

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Sample preparation

BufferpH: 6.8
VitrificationCryogen name: ETHANE

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Electron microscopy

MicroscopeTFS KRIOS
Image recordingFilm or detector model: GATAN K3 (6k x 4k) / Average electron dose: 49.6 e/Å2
Electron beamAcceleration voltage: 300 kV / Electron source: FIELD EMISSION GUN
Electron opticsIllumination mode: FLOOD BEAM / Imaging mode: BRIGHT FIELD / Nominal defocus max: 2.0 µm / Nominal defocus min: 0.8 µm
Experimental equipment
Model: Titan Krios / Image courtesy: FEI Company

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Image processing

CTF correctionType: PHASE FLIPPING AND AMPLITUDE CORRECTION
Startup modelType of model: PDB ENTRY
PDB model - PDB ID:

7n8o

Final reconstructionApplied symmetry - Point group: C2 (2 fold cyclic) / Resolution.type: BY AUTHOR / Resolution: 1.99 Å / Resolution method: FSC 0.143 CUT-OFF / Software - Name: RELION / Number images used: 72628
Initial angle assignmentType: MAXIMUM LIKELIHOOD
Final angle assignmentType: MAXIMUM LIKELIHOOD / Software - Name: RELION
FSC plot (resolution estimation)

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