6DHO: Photosystem II protein D1 1

RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.07 Angstrom resolution. Determined by X-ray diffraction at 2.07 Å resolution. Released 21 Nov 2018.

Method
X-ray diffraction
Resolution
2.07 Å
Organisms
Thermosynechococcus elongatus (strain BP-1), Thermosynechococcus elongatus
Chains
40
Atoms
53,286
Mol. weight
720.03 kDa
Ligands
FE2, CLA, PHO, BCR
Released
21 Nov 2018

Explore 6DHO in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6DHO contains 299 α-helices and 179 β-strands across 40 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain a: 21 helices, 11 β-strands

ElementResiduesLengthSheet
α-helix13-219
α-helix31-5424
β-strand58145
α-helix661
β-strand67145
α-helix681
α-helix71-733
β-strand81-82246
α-helix83-864
α-helix96-983
α-helix102-1087
α-helix110-13728
α-helix143-15513
α-helix156-1605
α-helix161-1655
α-helix168-1703
α-helix172-1732
β-strand174-175246
α-helix176-19015
α-helix192-1943
α-helix196-22025
β-strand223147
β-strand224148
α-helix233-2364
β-strand243149
β-strand246147
α-helix248-25811
α-helix268-29326
β-strand297-298250
β-strand307151
β-strand313151
α-helix317-33115
Chain A: 21 helices, 11 β-strands
ElementResiduesLengthSheet
α-helix13-219
α-helix31-5424
β-strand5811
β-strand6711
α-helix71-733
β-strand81-8222
α-helix83-864
α-helix96-983
α-helix102-1076
α-helix110-13627
α-helix143-15513
α-helix156-1605
α-helix161-1655
α-helix168-1703
α-helix172-1732
β-strand174-17522
α-helix176-19015
α-helix192-1943
α-helix196-22126
β-strand22313
β-strand22414
α-helix2251
α-helix233-2364
β-strand24315
β-strand24613
α-helix248-25811
α-helix261-2633
α-helix268-29326
β-strand297-29826
β-strand30717
β-strand31317
α-helix317-33115
Chain b: 28 helices, 28 β-strands
ElementResiduesLengthSheet
β-strand3-4252
α-helix5-128
α-helix16-4429
α-helix55-573
α-helix63-686
β-strand73153
β-strand78154
β-strand79153
β-strand84154
α-helix93-11624
β-strand120155
α-helix121-1233
β-strand124156
β-strand131156
α-helix135-15218
α-helix153-1586
β-strand166-168357
β-strand177-179357
α-helix187-1904
α-helix195-21824
α-helix220-2212
β-strand222158
α-helix223-2297
α-helix234-25825
α-helix265-2684
α-helix272-2765
α-helix279-29113
α-helix298-3036
α-helix307-3126
β-strand314159
α-helix315-3173
α-helix319-3213
β-strand323160
α-helix330-3323
β-strand336-342761
β-strand343-347562
β-strand353-354262
β-strand355-356263
α-helix357-3604
β-strand369-371363
β-strand377-380463
β-strand391163
α-helix392-3954
β-strand398-402562
β-strand410-411262
α-helix414-42411
β-strand427159
β-strand429-433561
α-helix447-47428
α-helix476-4783
β-strand482148
α-helix488-4914
β-strand496164
β-strand498165
α-helix502-5043
β-strand505164
Chain B: 28 helices, 27 β-strands
ElementResiduesLengthSheet
β-strand3-428
α-helix5-128
α-helix16-4429
α-helix55-573
α-helix63-686
β-strand7319
β-strand78110
β-strand7919
β-strand84110
α-helix93-11624
β-strand120111
α-helix121-1233
β-strand124112
β-strand131112
α-helix135-15218
α-helix153-1586
β-strand166-168313
β-strand177-179313
α-helix182-1843
α-helix187-1904
α-helix195-21824
α-helix220-2212
β-strand222114
α-helix223-2286
α-helix234-25825
α-helix265-2684
α-helix272-2765
α-helix279-29315
α-helix298-3036
α-helix307-3126
β-strand314115
α-helix315-3173
α-helix319-3213
β-strand323116
α-helix331-3344
β-strand336-342717
β-strand343-347518
β-strand353-354218
β-strand355-356219
α-helix357-3604
β-strand369-371319
β-strand377-380419
α-helix392-3954
β-strand398-402518
β-strand409-411318
α-helix414-42411
β-strand427115
β-strand429-433517
α-helix447-47428
α-helix476-4783
β-strand48214
α-helix488-4914
β-strand496120
β-strand498121
β-strand505120
Chain c: 26 helices, 15 β-strands
ElementResiduesLengthSheet
α-helix28-314
α-helix35-428
α-helix46-7429
α-helix81-833
α-helix88-947
β-strand99166
α-helix101-1033
β-strand105166
α-helix109-13022
α-helix131-1355
α-helix154-18128
β-strand185-187367
β-strand195-197367
α-helix206-2094
α-helix211-2144
α-helix223-2264
α-helix230-25324
α-helix258-2636
α-helix268-29225
α-helix299-3024
α-helix306-32419
β-strand332168
β-strand338168
β-strand341-343369
β-strand349-351369
α-helix353-3586
α-helix367-3693
β-strand370-371269
β-strand374-375269
α-helix377-3826
α-helix386-39611
β-strand402-403250
β-strand407170
β-strand408150
α-helix413-4142
β-strand418170
α-helix422-45332
β-strand459171
α-helix461-4633
α-helix465-4684
α-helix470-4712
Chain C: 24 helices, 15 β-strands
ElementResiduesLengthSheet
α-helix35-428
α-helix46-7429
α-helix81-833
α-helix89-946
β-strand99122
α-helix101-1033
β-strand105122
α-helix109-13022
α-helix131-1355
α-helix154-18128
β-strand185-187323
β-strand195-197323
α-helix206-2127
α-helix223-2264
α-helix230-25324
α-helix258-2636
α-helix268-29225
α-helix299-3024
α-helix306-32318
β-strand332124
β-strand338124
β-strand341-343325
β-strand349-351325
α-helix353-3586
α-helix367-3693
β-strand370-371225
β-strand374-375225
α-helix377-3826
α-helix386-39611
β-strand402-40326
β-strand407126
β-strand40816
α-helix413-4142
β-strand418126
α-helix422-45332
β-strand459127
α-helix461-4633
α-helix465-4684
α-helix470-4712
Chain d: 23 helices, 10 β-strands
ElementResiduesLengthSheet
α-helix14-229
β-strand24165
α-helix32-5423
β-strand57172
α-helix58-614
β-strand63172
α-helix67-693
β-strand77-78273
α-helix79-824
α-helix83-853
α-helix101-1077
α-helix109-13628
α-helix141-1455
α-helix147-1537
α-helix154-1596
α-helix160-1634
α-helix167-1693
β-strand173-174273
α-helix175-18915
α-helix191-1933
α-helix195-21925
β-strand222174
β-strand223171
α-helix231-2333
β-strand241149
β-strand244174
α-helix246-25712
α-helix264-29027
β-strand294160
α-helix299-3079
α-helix314-33320
α-helix335-3373
α-helix343-3453
Chain D: 22 helices, 10 β-strands
ElementResiduesLengthSheet
α-helix14-229
β-strand24121
α-helix31-5424
β-strand57128
α-helix58-614
β-strand63128
α-helix67-693
β-strand77-78229
α-helix79-824
α-helix83-853
α-helix101-1066
α-helix109-13628
α-helix141-15313
α-helix154-1596
α-helix160-1634
α-helix167-1693
β-strand173-174229
α-helix175-18915
α-helix191-1933
α-helix195-21925
β-strand222130
β-strand223127
α-helix231-2344
β-strand24115
β-strand244130
α-helix246-25611
α-helix264-29027
β-strand294116
α-helix299-3079
α-helix314-33320
α-helix335-3373
α-helix343-3453

26 more chain groups are not listed. Open the entry in the viewer and use the sequence panel to see them.

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Photosystem II protein D1 1A, aprotein334Thermosynechococcus elongatus (strain BP-1)P0A444 (AlphaFold model)
Photosystem II CP47 reaction center proteinB, bprotein505Thermosynechococcus elongatus (strain BP-1)Q8DIQ1 (AlphaFold model)
Photosystem II CP43 reaction center proteinC, cprotein451Thermosynechococcus elongatus (strain BP-1)Q8DIF8 (AlphaFold model)
Photosystem II D2 proteinD, dprotein341Thermosynechococcus elongatus (strain BP-1)Q8CM25 (AlphaFold model)
Cytochrome b559 subunit alphaE, eprotein82Thermosynechococcus elongatus (strain BP-1)Q8DIP0
Cytochrome b559 subunit betaF, fprotein34Thermosynechococcus elongatus (strain BP-1)Q8DIN9
Photosystem II reaction center protein HH, hprotein65Thermosynechococcus elongatus (strain BP-1)Q8DJ43
Photosystem II reaction center protein II, iprotein36Thermosynechococcus elongatusQ8DJZ6
Photosystem II reaction center protein JJ, jprotein36Thermosynechococcus elongatus (strain BP-1)P59087
Photosystem II reaction center protein KK, kprotein37Thermosynechococcus elongatus (strain BP-1)Q9F1K9
Photosystem II reaction center protein LL, lprotein37Thermosynechococcus elongatus (strain BP-1)Q8DIN8
Photosystem II reaction center protein MM, mprotein33Thermosynechococcus elongatusQ8DHA7

8 more molecules are not listed.

Sequence of entity 1 (A, a), FASTA
>6DHO_1 Photosystem II protein D1 1 (chains A, a)
ANLWERFCNWVTSTDNRLYVGWFGVIMIPTLLAATICFVIAFIAAPPVDIDGIREPVSGS
LLYGNNIITGAVVPSSNAIGLHFYPIWEAASLDEWLYNGGPYQLIIFHFLLGASCYMGRQ
WELSYRLGMRPWICVAYSAPLASAFAVFLIYPIGQGSFSDGMPLGISGTFNFMIVFQAEH
NILMHPFHQLGVAGVFGGALFCAMHGSLVTSSLIRETTETESANYGYKFGQEEETYNIVA
AHGYFGRLIFQYASFNNSRSLHFFLAAWPVVGVWFTALGISTMAFNLNGFNFNHSVIDAK
GNVINTWADIINRANLGMEVMHERNAHNFPLDLA
Sequence of entity 2 (B, b), FASTA
>6DHO_2 Photosystem II CP47 reaction center protein (chains B, b)
GLPWYRVHTVLINDPGRLIAAHLMHTALVAGWAGSMALYELATFDPSDPVLNPMWRQGMF
VLPFMARLGVTGSWSGWSITGETGIDPGFWSFEGVALAHIVLSGLLFLAACWHWVYWDLE
LFRDPRTGEPALDLPKMFGIHLFLAGLLCFGFGAFHLTGLFGPGMWVSDPYGLTGSVQPV
APEWGPDGFNPYNPGGVVAHHIAAGIVGIIAGLFHILVRPPQRLYKALRMGNIETVLSSS
IAAVFFAAFVVAGTMWYGSATTPIELFGPTRYQWDSSYFQQEINRRVQASLASGATLEEA
WSAIPEKLAFYDYIGNNPAKGGLFRTGPMNKGDGIAQAWKGHAVFRNKEGEELFVRRMPA
FFESFPVILTDKNGVVKADIPFRRAESKYSFEQQGVTVSFYGGELNGQTFTDPPTVKSYA
RKAIFGEIFEFDTETLNSDGIFRTSPRGWFTFAHAVFALLFFFGHIWHGARTLFRDVFSG
IDPELSPEQVEWGFYQKVGDVTTRR
Sequence of entity 3 (C, c), FASTA
>6DHO_3 Photosystem II CP43 reaction center protein (chains C, c)
ATNRDQESSGFAWWAGNARLINLSGKLLGAHVAHAGLIVFWAGAMTLFELAHFIPEKPMY
EQGLILIPHIATLGWGVGPGGEVVDTFPFFVVGVVHLISSAVLGFGGVYHAIRGPETLEE
YSSFFGYDWKDKNKMTTILGFHLIVLGIGALLLVAKAMFFGGLYDTWAPGGGDVRVITNP
TLDPRVIFGYLLKSPFGGEGWIVSVNNLEDVVGGHIWIGLICIAGGIWHILTTPFGWARR
AFIWSGEAYLSYSLGALSMMGFIATCFVWFNNTVYPSEFYGPTGPEASQAQAMTFLIRDQ
KLGANVGSAQGPTGLGKYLMRSPTGEIIFGGETMRFWDFRGPWLEPLRGPNGLDLNKIKN
DIQPWQERRAAEYMTHAPLGSLNSVGGVATEINSVNFVSPRSWLATSHFVLAFFFLVGHL
WHAGRARAAAAGFEKGIDRESEPVLSMPSLD
Sequence of entity 4 (D, d), FASTA
>6DHO_4 Photosystem II D2 protein (chains D, d)
RGWFDILDDWLKRDRFVFVGWSGILLFPCAYLALGGWLTGTTFVTSWYTHGLASSYLEGC
NFLTVAVSTPANSMGHSLLLLWGPEAQGDFTRWCQLGGLWTFIALHGAFGLIGFMLRQFE
IARLVGVRPYNAIAFSAPIAVFVSVFLIYPLGQSSWFFAPSFGVAAIFRFLLFFQGFHNW
TLNPFHMMGVAGVLGGALLCAIHGATVENTLFQDGEGASTFRAFNPTQAEETYSMVTANR
FWSQIFGIAFSNKRWLHFFMLFVPVTGLWMSAIGVVGLALNLRSYDFISQEIRAAEDPEF
ETFYTKNLLLNEGIRAWMAPQDQPHENFVFPEEVLPRGNAL
Sequence of entity 5 (E, e), FASTA
>6DHO_5 Cytochrome b559 subunit alpha (chains E, e)
GTTGERPFSDIITSVRYWVIHSITIPALFIAGWLFVSTGLAYDVFGTPRPDSYYAQEQRS
IPLVTDRFEAKQQVETFLEQLK
Sequence of entity 6 (F, f), FASTA
>6DHO_6 Cytochrome b559 subunit beta (chains F, f)
SYPIFTVRWVAVHTLAVPTIFFLGAIAAMQFIQR
Sequence of entity 7 (H, h), FASTA
>6DHO_7 Photosystem II reaction center protein H (chains H, h)
ARRTWLGDILRPLNSEYGKVAPGWGTTPLMAVFMGLFLVFLLIILEIYNSTLILDGVNVS
WKALG
Sequence of entity 8 (I, i), FASTA
>6DHO_8 Photosystem II reaction center protein I (chains I, i)
METLKITVYIVVTFFVLLFVFGFLSGDPARNPKRKD
Sequence of entity 9 (J, j), FASTA
>6DHO_9 Photosystem II reaction center protein J (chains J, j)
GGRIPLWIVATVAGMGVIVIVGLFFYGAYAGLGSSL
Sequence of entity 10 (K, k), FASTA
>6DHO_10 Photosystem II reaction center protein K (chains K, k)
KLPEAYAIFDPLVDVLPVIPVLFLALAFVWQAAVGFR
Sequence of entity 11 (L, l), FASTA
>6DHO_11 Photosystem II reaction center protein L (chains L, l)
MEPNPNRQPVELNRTSLYLGLLLILVLALLFSSYFFN
Sequence of entity 12 (M, m), FASTA
>6DHO_12 Photosystem II reaction center protein M (chains M, m)
MEVNQLGLIATALFVLVPSVFLIILYVQTESQQ

Ligands and cofactors

IDNameFormulaCopies
FE2FE (II) ionFe2
CLAChlorophyll aC55 H72 Mg N4 O570
PHOPheophytin aC55 H74 N4 O54
BCRBeta-caroteneC40 H5622
PL92,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-he…C53 H80 O24
LMG1,2-distearoyl-monogalactosyl-diglycerideC45 H86 O1013
SQD1,2-di-O-acyl-3-O-[6-deoxy-6-sulfo-alpha-D-glucopyranosyl]-sn-glycerolC41 H78 O12 S8
LHG1,2-dipalmitoyl-phosphatidyl-glyceroleC38 H75 O10 P10
DGDDigalactosyl diacyl glycerol (DGDG)C51 H96 O1510
OEXCa-MN4-O5 clusterCa Mn4 O52
OEYCa-MN4-O6 clusterCa Mn4 O62
BCTBicarbonate ionC H O32
HEMProtoporphyrin IX containing FEC34 H32 Fe N4 O42
HECHeme CC34 H36 Fe N4 O42

Water and common crystallization additives (CL, UNL) are not listed.

Primary citation

Structures of the intermediates of Kok's photosynthetic water oxidation clock. Kern, J., Chatterjee, R., Young, I.D. et al. Nature (2018) 563:421-425. DOI 10.1038/s41586-018-0681-2 · PubMed

Other PDB entries of the same protein (UniProt P0A444 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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