6JLK: XFEL structure of cyanobacterial photosystem II

XFEL structure of cyanobacterial photosystem II (1F state, dataset1). Determined by X-ray diffraction at 2.15 Å resolution. Released 16 Oct 2019.

Method
X-ray diffraction
Resolution
2.15 Å
Organism
Thermosynechococcus vulcanus
Chains
39
Atoms
55,631
Mol. weight
729.6 kDa
Ligands
BCT, CLA, PHO, BCR
Released
16 Oct 2019

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

Secondary structure: helices and β-sheets

6JLK contains 295 α-helices and 173 β-strands across 39 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-helix32-5423
α-helix55-573
β-strand58144
β-strand67144
α-helix71-733
β-strand81-82245
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-strand174-175245
α-helix176-19015
α-helix192-1943
α-helix196-22126
β-strand223146
β-strand224147
α-helix2251
α-helix233-2364
β-strand243148
β-strand246146
α-helix248-25811
α-helix268-29326
β-strand297-298249
β-strand307150
β-strand313150
α-helix317-33115
Chain A: 24 helices, 11 β-strands
ElementResiduesLengthSheet
α-helix13-219
α-helix31-5424
α-helix55-573
β-strand5811
α-helix661
β-strand6711
α-helix681
α-helix71-733
β-strand81-8222
α-helix83-864
α-helix96-983
α-helix102-1087
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: 25 helices, 24 β-strands
ElementResiduesLengthSheet
β-strand3151
α-helix5-128
α-helix16-4429
α-helix55-573
α-helix63-686
β-strand73152
β-strand79152
α-helix93-11624
β-strand120153
α-helix121-1233
β-strand124154
β-strand131154
α-helix135-15218
α-helix153-1586
β-strand166-168355
β-strand177-179355
α-helix187-1904
α-helix195-21824
α-helix220-2212
β-strand222156
α-helix223-2286
α-helix234-25825
α-helix265-2684
α-helix272-2765
α-helix279-29315
α-helix298-3036
α-helix307-3126
β-strand314157
α-helix315-3173
β-strand323158
α-helix330-3323
β-strand336-342759
β-strand343-347560
β-strand353-354260
β-strand355-356261
α-helix357-3604
β-strand369-371361
β-strand377-380461
β-strand391161
α-helix392-3954
β-strand398-402560
β-strand410-411260
α-helix414-42411
β-strand427157
β-strand429-433559
α-helix447-47428
α-helix476-4783
β-strand482147
β-strand498162
Chain B: 27 helices, 25 β-strands
ElementResiduesLengthSheet
β-strand3-428
α-helix5-128
α-helix16-4429
α-helix55-573
α-helix63-686
β-strand7319
β-strand7919
α-helix93-11624
β-strand120110
α-helix121-1233
β-strand124111
β-strand131111
α-helix135-15218
α-helix153-1586
β-strand166-168312
β-strand177-179312
α-helix187-1904
α-helix195-21824
α-helix220-2212
β-strand222113
α-helix223-2286
α-helix234-25825
α-helix265-2684
α-helix272-2765
α-helix279-29315
α-helix298-3036
α-helix307-3126
β-strand314114
α-helix315-3173
β-strand323115
α-helix330-3323
β-strand336-342716
β-strand343-347517
β-strand353-354217
β-strand355-356218
α-helix357-3604
β-strand369-371318
β-strand377-380418
α-helix392-3954
β-strand398-402517
β-strand410-411217
α-helix414-42411
β-strand427114
β-strand429-433516
α-helix447-47428
α-helix476-4783
β-strand479119
β-strand481119
β-strand48214
α-helix488-4914
β-strand498120
α-helix502-5043
Chain c: 24 helices, 15 β-strands
ElementResiduesLengthSheet
α-helix28-314
α-helix35-428
α-helix46-7429
α-helix81-833
α-helix88-947
β-strand99163
α-helix101-1033
β-strand105163
α-helix109-13426
α-helix154-18128
β-strand185-187364
β-strand195-197364
α-helix206-2138
α-helix223-2264
α-helix230-25324
α-helix258-2636
α-helix268-29225
α-helix299-3024
α-helix306-32419
β-strand332165
β-strand338165
β-strand341-343366
β-strand349-351366
α-helix354-3585
α-helix367-3693
β-strand370-371266
β-strand374-375266
α-helix377-3826
α-helix386-39611
β-strand402-403249
β-strand407167
β-strand408149
α-helix413-4142
β-strand418167
α-helix422-45332
β-strand459168
α-helix461-4633
α-helix465-4684
α-helix470-4712
Chain C: 24 helices, 15 β-strands
ElementResiduesLengthSheet
α-helix28-314
α-helix35-428
α-helix46-7328
α-helix81-833
α-helix88-947
β-strand99121
α-helix101-1033
β-strand105121
α-helix109-13426
α-helix154-18128
β-strand185-187322
β-strand195-197322
α-helix206-2138
α-helix223-2264
α-helix230-25324
α-helix258-2636
α-helix268-29225
α-helix299-3024
α-helix306-32318
β-strand332123
β-strand338123
β-strand341-343324
β-strand349-351324
α-helix354-3585
α-helix367-3693
β-strand370-371224
β-strand374-375224
α-helix377-3826
α-helix386-39611
β-strand402-40326
β-strand407125
β-strand40816
α-helix413-4142
β-strand418125
α-helix422-45332
β-strand459126
α-helix461-4633
α-helix465-4684
α-helix470-4712
Chain d: 24 helices, 10 β-strands
ElementResiduesLengthSheet
α-helix14-229
β-strand24162
α-helix31-5424
β-strand57169
α-helix58-614
β-strand63169
α-helix67-693
β-strand77-78270
α-helix79-824
α-helix83-853
α-helix101-1066
α-helix109-13628
α-helix141-15414
α-helix155-1595
α-helix160-1634
α-helix167-1693
α-helix171-1722
β-strand173-174270
α-helix175-18410
α-helix185-1895
α-helix191-1933
α-helix195-22026
β-strand222171
β-strand223168
α-helix231-2333
β-strand241148
β-strand244171
α-helix246-25712
α-helix264-29027
β-strand294158
α-helix299-3079
α-helix314-33320
α-helix335-3373
α-helix343-3453
Chain D: 21 helices, 10 β-strands
ElementResiduesLengthSheet
α-helix14-229
β-strand24120
α-helix31-5424
β-strand57127
α-helix58-614
β-strand63127
β-strand77-78228
α-helix79-824
α-helix83-853
α-helix101-1077
α-helix109-13628
α-helix141-15414
α-helix155-1595
α-helix160-1634
α-helix167-1693
α-helix171-1722
β-strand173-174228
α-helix175-18915
α-helix191-1933
α-helix195-21925
β-strand222129
β-strand223126
β-strand24115
β-strand244129
α-helix246-25712
α-helix264-28926
β-strand294115
α-helix299-3079
α-helix314-33320
α-helix335-3373
α-helix343-3453

24 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 D1A, aprotein344Thermosynechococcus vulcanusP51765 (AlphaFold model)
Photosystem II CP47 reaction center proteinB, bprotein505Thermosynechococcus vulcanusD0VWR1 (AlphaFold model)
Photosystem II CP43 reaction center proteinC, cprotein455Thermosynechococcus vulcanusD0VWR7 (AlphaFold model)
Photosystem II D2 proteinD, dprotein342Thermosynechococcus vulcanusD0VWR8 (AlphaFold model)
Cytochrome b559 subunit alphaE, eprotein84Thermosynechococcus vulcanusP12238
Cytochrome b559 subunit betaF, fprotein44Thermosynechococcus vulcanusP12239
Photosystem II reaction center protein HH, hprotein65Thermosynechococcus vulcanusP19052
Photosystem II reaction center protein II, iprotein38Thermosynechococcus vulcanusP12240
Photosystem II reaction center protein JJ, jprotein39Thermosynechococcus vulcanusQ7DGD4
Photosystem II reaction center protein KK, kprotein37Thermosynechococcus vulcanusP19054
Photosystem II reaction center protein LL, lprotein37Thermosynechococcus vulcanusP12241
Photosystem II reaction center protein MM, mprotein36Thermosynechococcus vulcanusP12312

8 more molecules are not listed.

Sequence of entity 1 (A, a), FASTA
>6JLK_1 Photosystem II protein D1 (chains A, a)
MTTTLQRRESANLWERFCNWVTSTDNRLYVGWFGVIMIPTLLAATICFVIAFIAAPPVDI
DGIREPVSGSLLYGNNIITGAVVPSSNAIGLHFYPIWEAASLDEWLYNGGPYQLIIFHFL
LGASCYMGRQWELSYRLGMRPWICVAYSAPLASAFAVFLIYPIGQGSFSDGMPLGISGTF
NFMIVFQAEHNILMHPFHQLGVAGVFGGALFCAMHGSLVTSSLIRETTETESANYGYKFG
QEEETYNIVAAHGYFGRLIFQYASFNNSRSLHFFLAAWPVVGVWFAALGISTMAFNLNGF
NFNHSVIDAKGNVINTWADIINRANLGMEVMHERNAHNFPLDLA
Sequence of entity 2 (B, b), FASTA
>6JLK_2 Photosystem II CP47 reaction center protein (chains B, b)
GLPWYRVHTVLINDPGRLIAAHLMHTALVAGWAGSMALYELATFDPSDPVLNPMWRQGMF
VLPFMARLGVTGSWSGWSITGETGIDPGFWSFEGVALAHIVLSGLLFLAACWHWVYWDLE
LFRDPRTGEPALDLPKMFGIHLFLAGLLCFGFGAFHLTGLFGPGMWVSDPYGLTGSVQPV
APEWGPDGFNPYNPGGVVAHHIAAGIVGIIAGLFHILVRPPQRLYKALRMGNIETVLSSS
IAAVFFAAFVVAGTMWYGSATTPIELFGPTRYQWDSSYFQQEINRRVQASLASGATLEEA
WSAIPEKLAFYDYIGNNPAKGGLFRTGPMNKGDGIAQAWKGHAVFRNKEGEELFVRRMPA
FFESFPVILTDKNGVVKADIPFRRAESKYSFEQQGVTVSFYGGELNGQTFTDPPTVKSYA
RKAIFGEIFEFDTETLNSDGIFRTSPRGWFTFAHAVFALLFFFGHIWHGARTLFRDVFSG
IDPELSPEQVEWGFYQKVGDVTTRK
Sequence of entity 3 (C, c), FASTA
>6JLK_3 Photosystem II CP43 reaction center protein (chains C, c)
NSIFATNRDQESSGFAWWAGNARLINLSGKLLGAHVAHAGLIVFWAGAMTLFELAHFIPE
KPMYEQGLILIPHIATLGWGVGPGGEVVDTFPFFVVGVVHLISSAVLGFGGVYHAIRGPE
TLEEYSSFFGYDWKDKNKMTTILGFHLIVLGIGALLLVAKAMFFGGLYDTWAPGGGDVRV
ITNPTLDPRVIFGYLLKSPFGGEGWIVSVNNLEDVVGGHIWIGLICIAGGIWHILTTPFG
WARRAFIWSGEAYLSYSLGALSMMGFIATCFVWFNNTVYPSEFYGPTGPEASQAQAMTFL
IRDQKLGANVGSAQGPTGLGKYLMRSPTGEIIFGGETMRFWDFRGPWLEPLRGPNGLDLN
KIKNDIQPWQERRAAEYMTHAPLGSLNSVGGVATEINSVNFVSPRSWLATSHFVLAFFFL
VGHLWHAGRARAAAAGFEKGIDRESEPVLSMPSLD
Sequence of entity 4 (D, d), FASTA
>6JLK_4 Photosystem II D2 protein (chains D, d)
ERGWFDILDDWLKRDRFVFVGWSGILLFPCAYLALGGWLTGTTFVTSWYTHGLASSYLEG
CNFLTVAVSTPANSMGHSLLLLWGPEAQGDFTRWCQLGGLWTFIALHGAFGLIGFMLRQF
EIARLVGVRPYNAIAFSAPIAVFVSVFLIYPLGQSSWFFAPSFGVAAIFRFLLFFQGFHN
WTLNPFHMMGVAGVLGGALLCAIHGATVENTLFQDGEGASTFRAFNPTQAEETYSMVTAN
RFWSQIFGIAFSNKRWLHFFMLFVPVTGLWMSAIGVVGLALNLRSYDFISQEIRAAEDPE
FETFYTKNLLLNEGIRAWMAPQDQPHENFVFPEEVLPRGNAL
Sequence of entity 5 (E, e), FASTA
>6JLK_5 Cytochrome b559 subunit alpha (chains E, e)
MAGTTGERPFSDIITSVRYWVIHSITIPALFIAGWLFVSTGLAYDVFGTPRPDSYYAQEQ
RSIPLVTDRFEAKQQVETFLEQLK
Sequence of entity 6 (F, f), FASTA
>6JLK_6 Cytochrome b559 subunit beta (chains F, f)
TSNTPNQEPVSYPIFTVRWVAVHTLAVPTIFFLGAIAAMQFIQR
Sequence of entity 7 (H, h), FASTA
>6JLK_7 Photosystem II reaction center protein H (chains H, h)
ARRTWLGDILRPLNSEYGKVAPGWGTTPLMAVFMGLFLVFLLIILEIYNSTLILDGVNVS
WKALG
Sequence of entity 8 (I, i), FASTA
>6JLK_8 Photosystem II reaction center protein I (chains I, i)
METLKITVYIVVTFFVLLFVFGFLSGDPARNPKRKDLE
Sequence of entity 9 (J, j), FASTA
>6JLK_9 Photosystem II reaction center protein J (chains J, j)
MSEGGRIPLWIVATVAGMGVIVIVGLFFYGAYAGLGSSL
Sequence of entity 10 (K, k), FASTA
>6JLK_10 Photosystem II reaction center protein K (chains K, k)
KLPEAYAIFDPLVDVLPVIPVLFLALAFVWQAAVGFR
Sequence of entity 11 (L, l), FASTA
>6JLK_11 Photosystem II reaction center protein L (chains L, l)
MEPNPNRQPVELNRTSLYLGLLLILVLALLFSSYFFN
Sequence of entity 12 (M, m), FASTA
>6JLK_12 Photosystem II reaction center protein M (chains M, m)
MEVNQLGLIATALFVLVPSVFLIILYVQTESQQKSS

Ligands and cofactors

IDNameFormulaCopies
BCTBicarbonate ionC H O32
CLAChlorophyll aC55 H72 Mg N4 O570
PHOPheophytin aC55 H74 N4 O54
BCRBeta-caroteneC40 H5622
OEXCa-MN4-O5 clusterCa Mn4 O52
LMG1,2-distearoyl-monogalactosyl-diglycerideC45 H86 O1012
HTGheptyl 1-thio-beta-D-glucopyranosideC13 H26 O5 S17
DGDDigalactosyl diacyl glycerol (DGDG)C51 H96 O1510
LHG1,2-dipalmitoyl-phosphatidyl-glyceroleC38 H75 O10 P10
HECHeme CC34 H36 Fe N4 O42
MGMagnesium ionMg2
HEMProtoporphyrin IX containing FEC34 H32 Fe N4 O42
CACalcium ionCa9
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
LMTDodecyl-beta-D-maltosideC24 H46 O1114
SQD1,2-di-O-acyl-3-O-[6-deoxy-6-sulfo-alpha-D-glucopyranosyl]-sn-glycerolC41 H78 O12 S8
FE2FE (II) ionFe2

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

Primary citation

An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser. Suga, M., Akita, F., Yamashita, K. et al. Science (2019) 366:334-338. DOI 10.1126/science.aax6998 · PubMed

Other PDB entries of the same protein (UniProt P51765 (AlphaFold model), which also has an AlphaFold model), best resolution first:

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