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- PDB-7yq7: Crystal structure of photosystem II expressing psbA3 gene only -

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Basic information

Entry
Database: PDB / ID: 7yq7
TitleCrystal structure of photosystem II expressing psbA3 gene only
Components
  • (Cytochrome b559 subunit ...) x 2
  • (Photosystem II ...) x 17
  • Cytochrome c-550
KeywordsPHOTOSYNTHESIS / ELECTRON TRANSPORT
Function / homology
Function and homology information


photosystem II assembly / photosystem II stabilization / oxygen evolving activity / photosystem II oxygen evolving complex / photosystem II / photosystem II reaction center / oxidoreductase activity, acting on diphenols and related substances as donors, oxygen as acceptor / photosynthetic electron transport chain / response to herbicide / photosystem II ...photosystem II assembly / photosystem II stabilization / oxygen evolving activity / photosystem II oxygen evolving complex / photosystem II / photosystem II reaction center / oxidoreductase activity, acting on diphenols and related substances as donors, oxygen as acceptor / photosynthetic electron transport chain / response to herbicide / photosystem II / photosynthetic electron transport in photosystem II / extrinsic component of membrane / chlorophyll binding / plasma membrane-derived thylakoid membrane / photosynthesis, light reaction / electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity / phosphate ion binding / photosynthesis / respiratory electron transport chain / manganese ion binding / electron transfer activity / protein stabilization / iron ion binding / heme binding / metal ion binding
Similarity search - Function
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 PsbJ 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 PsbJ superfamily / PsbJ / Photosystem II reaction centre protein Ycf12 / Photosystem II complex subunit Ycf12 / Photosystem II PsbX, type 1 subfamily / Photosystem II PsbO, manganese-stabilising / Manganese-stabilising protein / photosystem II polypeptide / Photosystem II reaction centre M protein (PsbM) / Photosystem II PsbM superfamily / Photosystem II PsbZ, reaction centre / Photosystem II PsbZ superfamily / YCF9 / Photosystem II PsbM / 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 CP43 reaction centre protein superfamily / Photosystem II reaction centre T protein / PsbL protein / Photosystem II PsbK / Photosystem II CP43 reaction centre protein / Photosystem II PsbK superfamily / Photosystem II 4 kDa reaction centre component / Photosystem II CP47 reaction centre protein / Photosystem II PsbI / 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
Similarity search - Domain/homology
BETA-CAROTENE / BICARBONATE ION / CHLOROPHYLL A / DIGALACTOSYL DIACYL GLYCEROL (DGDG) / : / HEME C / PROTOPORPHYRIN IX CONTAINING FE / 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE / 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE / CA-MN4-O5 CLUSTER ...BETA-CAROTENE / BICARBONATE ION / CHLOROPHYLL A / DIGALACTOSYL DIACYL GLYCEROL (DGDG) / : / HEME C / PROTOPORPHYRIN IX CONTAINING FE / 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE / 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE / CA-MN4-O5 CLUSTER / PHEOPHYTIN A / Chem-PL9 / (3R)-beta,beta-caroten-3-ol / Chem-SQD / Unknown ligand / Photosystem II extrinsic protein V / Photosystem II extrinsic protein O / Photosystem II reaction center protein J / Photosystem II D2 protein / Photosystem II reaction center protein M / Photosystem II reaction center protein Z / Photosystem II CP43 reaction center protein / Photosystem II reaction center protein L / Cytochrome b559 subunit beta / Cytochrome b559 subunit alpha / Photosystem II reaction center protein T / Photosystem II CP47 reaction center protein / Photosystem II protein D1 3 / Photosystem II reaction center protein H / Photosystem II reaction center protein Psb30 / Photosystem II reaction center protein I / Photosystem II reaction center protein Y / Photosystem II reaction center protein K / Photosystem II extrinsic protein U / Photosystem II reaction center protein X
Similarity search - Component
Biological speciesThermosynechococcus vestitus BP-1 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.9 Å
AuthorsNakajima, Y. / Suga, M. / Shen, J.R.
Funding support Japan, 1items
OrganizationGrant numberCountry
Japan Society for the Promotion of Science (JSPS)20H03226 Japan
CitationJournal: J.Biol.Chem. / Year: 2022
Title: Crystal structures of photosystem II from a cyanobacterium expressing psbA 2 in comparison to psbA 3 reveal differences in the D1 subunit.
Authors: Nakajima, Y. / Ugai-Amo, N. / Tone, N. / Nakagawa, A. / Iwai, M. / Ikeuchi, M. / Sugiura, M. / Suga, M. / Shen, J.R.
History
DepositionAug 5, 2022Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Nov 30, 2022Provider: repository / Type: Initial release
Revision 1.1Dec 7, 2022Group: Database references / Category: citation / Item: _citation.journal_volume
Revision 1.2Nov 29, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Photosystem II protein D1 3
B: Photosystem II CP47 reaction center protein
C: Photosystem II CP43 reaction center protein
D: Photosystem II D2 protein
E: Cytochrome b559 subunit alpha
F: Cytochrome b559 subunit beta
H: Photosystem II reaction center protein H
I: Photosystem II reaction center protein I
J: Photosystem II reaction center protein J
K: Photosystem II reaction center protein K
L: Photosystem II reaction center protein L
M: Photosystem II reaction center protein M
O: Photosystem II manganese-stabilizing polypeptide
T: Photosystem II reaction center protein T
U: Photosystem II 12 kDa extrinsic protein
V: Cytochrome c-550
X: Photosystem II reaction center X protein
Y: Photosystem II reaction center protein Ycf12
Z: Photosystem II reaction center protein Z
a: Photosystem II protein D1 3
b: Photosystem II CP47 reaction center protein
c: Photosystem II CP43 reaction center protein
d: Photosystem II D2 protein
e: Cytochrome b559 subunit alpha
f: Cytochrome b559 subunit beta
h: Photosystem II reaction center protein H
i: Photosystem II reaction center protein I
j: Photosystem II reaction center protein J
k: Photosystem II reaction center protein K
l: Photosystem II reaction center protein L
m: Photosystem II reaction center protein M
o: Photosystem II manganese-stabilizing polypeptide
t: Photosystem II reaction center protein T
u: Photosystem II 12 kDa extrinsic protein
v: Cytochrome c-550
x: Photosystem II reaction center X protein
y: Photosystem II reaction center protein Ycf12
z: Photosystem II reaction center protein Z
R: Photosystem II protein Y
hetero molecules


Theoretical massNumber of molelcules
Total (without water)788,654401
Polymers630,09239
Non-polymers158,562362
Water59,2693290
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)122.804, 228.456, 286.852
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and (resid 11 through 220 or resid 222 through 344 or resid 410))
21(chain a and (resid 11 through 220 or resid 222 through 344 or resid 410))
12(chain B and (resid 2 through 13 or resid 15...
22(chain b and (resid 2 through 13 or resid 15...
13(chain C and (resid 24 through 144 or resid 146...
23(chain c and (resid 24 through 144 or resid 146...
14(chain D and (resid 12 through 294 or resid 296...
24(chain d and ((resid 12 and (name N or name...
15(chain E and (resid 6 through 53 or resid 55...
25(chain e and (resid 6 through 53 or resid 55...
16(chain F and (resid 14 through 45 or resid 101))
26(chain f and (resid 14 through 45 or resid 101))
17(chain H and (resid 2 or resid 4 through 65 or resid 103))
27(chain h and (resid 2 or resid 4 through 65...
18(chain I and (resid 1 through 101 or (resid 102...
28(chain i and (resid 1 through 32 or (resid 33...
19(chain J and (resid 4 through 40 or resid 101 through 103))
29(chain j and ((resid 4 and (name N or name...
110chain K
210(chain k and (resid 10 through 46 or resid 101 through 102))
111(chain L and (resid 2 through 23 or resid 25 through 37 or resid 101))
211(chain l and ((resid 2 and (name N or name...
112(chain M and (resid 1 through 15 or resid 17 through 102))
212(chain m and (resid 1 through 15 or resid 17...
113(chain O and (resid 4 through 26 or (resid 27...
213(chain o and (resid 4 through 73 or resid 75...
114(chain T and (resid 1 through 30 or resid 101))
214(chain t and (resid 1 through 30 or resid 101))
115(chain U and resid 8 through 104)
215(chain u and (resid 8 through 85 or (resid 86...
116(chain V and (resid 1 through 13 or resid 15...
216(chain v and (resid 1 through 13 or resid 15 through 34 or resid 36 through 137 or resid 201))
117(chain X and (resid 2 through 14 or resid 16...
217(chain x and (resid 2 through 14 or resid 16 through 39))
118(chain Y and ((resid 18 through 20 and (name N...
218(chain y and (resid 18 through 42 or (resid 43...
119(chain Z and ((resid 1 through 4 and (name N...
219(chain z and ((resid 1 through 4 and (name N...

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111(chain A and (resid 11 through 220 or resid 222 through 344 or resid 410))A11 - 220
121(chain A and (resid 11 through 220 or resid 222 through 344 or resid 410))A222 - 344
131(chain A and (resid 11 through 220 or resid 222 through 344 or resid 410))A410
211(chain a and (resid 11 through 220 or resid 222 through 344 or resid 410))a11 - 220
221(chain a and (resid 11 through 220 or resid 222 through 344 or resid 410))a222 - 344
231(chain a and (resid 11 through 220 or resid 222 through 344 or resid 410))a410
112(chain B and (resid 2 through 13 or resid 15...B2 - 13
122(chain B and (resid 2 through 13 or resid 15...B15 - 35
132(chain B and (resid 2 through 13 or resid 15...B37 - 222
142(chain B and (resid 2 through 13 or resid 15...B224 - 238
152(chain B and (resid 2 through 13 or resid 15...B240 - 284
162(chain B and (resid 2 through 13 or resid 15...B286
172(chain B and (resid 2 through 13 or resid 15...B348 - 397
182(chain B and (resid 2 through 13 or resid 15...B399 - 430
192(chain B and (resid 2 through 13 or resid 15...B432 - 483
1102(chain B and (resid 2 through 13 or resid 15...B2 - 1027
1112(chain B and (resid 2 through 13 or resid 15...B2 - 1027
1122(chain B and (resid 2 through 13 or resid 15...B2 - 1027
1132(chain B and (resid 2 through 13 or resid 15...B2 - 1027
1142(chain B and (resid 2 through 13 or resid 15...B2 - 1027
212(chain b and (resid 2 through 13 or resid 15...b2 - 13
222(chain b and (resid 2 through 13 or resid 15...b15 - 35
232(chain b and (resid 2 through 13 or resid 15...b37 - 222
242(chain b and (resid 2 through 13 or resid 15...b224 - 226
252(chain b and (resid 2 through 13 or resid 15...b2 - 505
262(chain b and (resid 2 through 13 or resid 15...b2 - 505
272(chain b and (resid 2 through 13 or resid 15...b2 - 505
282(chain b and (resid 2 through 13 or resid 15...b2 - 505
292(chain b and (resid 2 through 13 or resid 15...b2 - 505
2102(chain b and (resid 2 through 13 or resid 15...b2 - 505
2112(chain b and (resid 2 through 13 or resid 15...b2 - 505
113(chain C and (resid 24 through 144 or resid 146...C24 - 144
123(chain C and (resid 24 through 144 or resid 146...C146 - 206
133(chain C and (resid 24 through 144 or resid 146...C207
143(chain C and (resid 24 through 144 or resid 146...C24 - 1004
153(chain C and (resid 24 through 144 or resid 146...C24 - 1004
163(chain C and (resid 24 through 144 or resid 146...C24 - 1004
173(chain C and (resid 24 through 144 or resid 146...C24 - 1004
213(chain c and (resid 24 through 144 or resid 146...c24 - 144
223(chain c and (resid 24 through 144 or resid 146...c146 - 212
233(chain c and (resid 24 through 144 or resid 146...c214 - 377
243(chain c and (resid 24 through 144 or resid 146...c379 - 415
253(chain c and (resid 24 through 144 or resid 146...c417 - 470
263(chain c and (resid 24 through 144 or resid 146...c472 - 473
273(chain c and (resid 24 through 144 or resid 146...c917
283(chain c and (resid 24 through 144 or resid 146...c19 - 473
293(chain c and (resid 24 through 144 or resid 146...c19 - 473
2103(chain c and (resid 24 through 144 or resid 146...c19 - 473
2113(chain c and (resid 24 through 144 or resid 146...c19 - 473
2123(chain c and (resid 24 through 144 or resid 146...c19 - 473
2133(chain c and (resid 24 through 144 or resid 146...c19 - 473
2143(chain c and (resid 24 through 144 or resid 146...c19 - 473
114(chain D and (resid 12 through 294 or resid 296...D12 - 294
124(chain D and (resid 12 through 294 or resid 296...D296 - 352
134(chain D and (resid 12 through 294 or resid 296...D402 - 405
144(chain D and (resid 12 through 294 or resid 296...D408
154(chain D and (resid 12 through 294 or resid 296...D12 - 418
164(chain D and (resid 12 through 294 or resid 296...D12 - 418
174(chain D and (resid 12 through 294 or resid 296...D12 - 418
184(chain D and (resid 12 through 294 or resid 296...D12 - 418
194(chain D and (resid 12 through 294 or resid 296...D12 - 418
1104(chain D and (resid 12 through 294 or resid 296...D12 - 418
1114(chain D and (resid 12 through 294 or resid 296...D12 - 418
1124(chain D and (resid 12 through 294 or resid 296...D12 - 418
1134(chain D and (resid 12 through 294 or resid 296...D12 - 418
1144(chain D and (resid 12 through 294 or resid 296...D12 - 418
1154(chain D and (resid 12 through 294 or resid 296...D12 - 418
1164(chain D and (resid 12 through 294 or resid 296...D12 - 418
1174(chain D and (resid 12 through 294 or resid 296...D12 - 418
1184(chain D and (resid 12 through 294 or resid 296...D12 - 418
1194(chain D and (resid 12 through 294 or resid 296...D12 - 418
1204(chain D and (resid 12 through 294 or resid 296...D12 - 418
1214(chain D and (resid 12 through 294 or resid 296...D12 - 418
1224(chain D and (resid 12 through 294 or resid 296...D12 - 418
1234(chain D and (resid 12 through 294 or resid 296...D12 - 418
1244(chain D and (resid 12 through 294 or resid 296...D12 - 418
1254(chain D and (resid 12 through 294 or resid 296...D12 - 418
1264(chain D and (resid 12 through 294 or resid 296...D12 - 418
1274(chain D and (resid 12 through 294 or resid 296...D12 - 418
1284(chain D and (resid 12 through 294 or resid 296...D12 - 418
1294(chain D and (resid 12 through 294 or resid 296...D12 - 418
1304(chain D and (resid 12 through 294 or resid 296...D12 - 418
1314(chain D and (resid 12 through 294 or resid 296...D12 - 418
1324(chain D and (resid 12 through 294 or resid 296...D12 - 418
1334(chain D and (resid 12 through 294 or resid 296...D12 - 418
1344(chain D and (resid 12 through 294 or resid 296...D12 - 418
1354(chain D and (resid 12 through 294 or resid 296...D12 - 418
1364(chain D and (resid 12 through 294 or resid 296...D12 - 418
1374(chain D and (resid 12 through 294 or resid 296...D12 - 418
1384(chain D and (resid 12 through 294 or resid 296...D12 - 418
1394(chain D and (resid 12 through 294 or resid 296...D12 - 418
1404(chain D and (resid 12 through 294 or resid 296...D12 - 418
1414(chain D and (resid 12 through 294 or resid 296...D12 - 418
1424(chain D and (resid 12 through 294 or resid 296...D12 - 418
1434(chain D and (resid 12 through 294 or resid 296...D12 - 418
1444(chain D and (resid 12 through 294 or resid 296...D12 - 418
1454(chain D and (resid 12 through 294 or resid 296...D12 - 418
214(chain d and ((resid 12 and (name N or name...d12
224(chain d and ((resid 12 and (name N or name...d11 - 352
234(chain d and ((resid 12 and (name N or name...d11 - 352
244(chain d and ((resid 12 and (name N or name...d11 - 352
254(chain d and ((resid 12 and (name N or name...d11 - 352
115(chain E and (resid 6 through 53 or resid 55...E6 - 53
125(chain E and (resid 6 through 53 or resid 55...E55 - 58
135(chain E and (resid 6 through 53 or resid 55...E59 - 60
145(chain E and (resid 6 through 53 or resid 55...E4 - 103
155(chain E and (resid 6 through 53 or resid 55...E4 - 103
165(chain E and (resid 6 through 53 or resid 55...E4 - 103
175(chain E and (resid 6 through 53 or resid 55...E4 - 103
215(chain e and (resid 6 through 53 or resid 55...e6 - 53
225(chain e and (resid 6 through 53 or resid 55...e55 - 61
235(chain e and (resid 6 through 53 or resid 55...e63 - 73
245(chain e and (resid 6 through 53 or resid 55...e74
255(chain e and (resid 6 through 53 or resid 55...e6 - 84
265(chain e and (resid 6 through 53 or resid 55...e6 - 84
275(chain e and (resid 6 through 53 or resid 55...e6 - 84
285(chain e and (resid 6 through 53 or resid 55...e6 - 84
116(chain F and (resid 14 through 45 or resid 101))F0
216(chain f and (resid 14 through 45 or resid 101))f0
117(chain H and (resid 2 or resid 4 through 65 or resid 103))H2
127(chain H and (resid 2 or resid 4 through 65 or resid 103))H4 - 65
137(chain H and (resid 2 or resid 4 through 65 or resid 103))H103
217(chain h and (resid 2 or resid 4 through 65...h2
227(chain h and (resid 2 or resid 4 through 65...h4 - 65
237(chain h and (resid 2 or resid 4 through 65...h106
247(chain h and (resid 2 or resid 4 through 65...h2 - 66
257(chain h and (resid 2 or resid 4 through 65...h2 - 66
267(chain h and (resid 2 or resid 4 through 65...h2 - 66
277(chain h and (resid 2 or resid 4 through 65...h2 - 66
287(chain h and (resid 2 or resid 4 through 65...h2 - 66
297(chain h and (resid 2 or resid 4 through 65...h2 - 66
2107(chain h and (resid 2 or resid 4 through 65...h2 - 66
118(chain I and (resid 1 through 101 or (resid 102...I0
218(chain i and (resid 1 through 32 or (resid 33...i1 - 32
228(chain i and (resid 1 through 32 or (resid 33...i33 - 36
238(chain i and (resid 1 through 32 or (resid 33...i1 - 37
248(chain i and (resid 1 through 32 or (resid 33...i1 - 37
258(chain i and (resid 1 through 32 or (resid 33...i1 - 37
268(chain i and (resid 1 through 32 or (resid 33...i1 - 37
119(chain J and (resid 4 through 40 or resid 101 through 103))J4 - 40
129(chain J and (resid 4 through 40 or resid 101 through 103))J101 - 103
219(chain j and ((resid 4 and (name N or name...j4
229(chain j and ((resid 4 and (name N or name...j3 - 40
239(chain j and ((resid 4 and (name N or name...j3 - 40
249(chain j and ((resid 4 and (name N or name...j3 - 40
259(chain j and ((resid 4 and (name N or name...j3 - 40
1110chain KK10 - 102
2110(chain k and (resid 10 through 46 or resid 101 through 102))k10 - 46
2210(chain k and (resid 10 through 46 or resid 101 through 102))k101 - 102
1111(chain L and (resid 2 through 23 or resid 25 through 37 or resid 101))L2 - 23
1211(chain L and (resid 2 through 23 or resid 25 through 37 or resid 101))L25 - 37
1311(chain L and (resid 2 through 23 or resid 25 through 37 or resid 101))L101
2111(chain l and ((resid 2 and (name N or name...l2
2211(chain l and ((resid 2 and (name N or name...l2 - 37
2311(chain l and ((resid 2 and (name N or name...l2 - 37
2411(chain l and ((resid 2 and (name N or name...l2 - 37
2511(chain l and ((resid 2 and (name N or name...l2 - 37
1112(chain M and (resid 1 through 15 or resid 17 through 102))M1 - 15
1212(chain M and (resid 1 through 15 or resid 17 through 102))M17 - 102
2112(chain m and (resid 1 through 15 or resid 17...m1 - 15
2212(chain m and (resid 1 through 15 or resid 17...m17 - 32
2312(chain m and (resid 1 through 15 or resid 17...m33 - 34
2412(chain m and (resid 1 through 15 or resid 17...m1 - 34
2512(chain m and (resid 1 through 15 or resid 17...m1 - 34
2612(chain m and (resid 1 through 15 or resid 17...m1 - 34
2712(chain m and (resid 1 through 15 or resid 17...m1 - 34
1113(chain O and (resid 4 through 26 or (resid 27...O4 - 26
1213(chain O and (resid 4 through 26 or (resid 27...O27
1313(chain O and (resid 4 through 26 or (resid 27...O4 - 246
1413(chain O and (resid 4 through 26 or (resid 27...O4 - 246
1513(chain O and (resid 4 through 26 or (resid 27...O4 - 246
1613(chain O and (resid 4 through 26 or (resid 27...O4 - 246
2113(chain o and (resid 4 through 73 or resid 75...o4 - 73
2213(chain o and (resid 4 through 73 or resid 75...o75 - 97
2313(chain o and (resid 4 through 73 or resid 75...o98
2413(chain o and (resid 4 through 73 or resid 75...o4 - 246
2513(chain o and (resid 4 through 73 or resid 75...o4 - 246
2613(chain o and (resid 4 through 73 or resid 75...o4 - 246
1114(chain T and (resid 1 through 30 or resid 101))T0
2114(chain t and (resid 1 through 30 or resid 101))t0
1115(chain U and resid 8 through 104)U8 - 104
2115(chain u and (resid 8 through 85 or (resid 86...u8 - 85
2215(chain u and (resid 8 through 85 or (resid 86...u86
2315(chain u and (resid 8 through 85 or (resid 86...u8 - 104
2415(chain u and (resid 8 through 85 or (resid 86...u8 - 104
2515(chain u and (resid 8 through 85 or (resid 86...u8 - 104
2615(chain u and (resid 8 through 85 or (resid 86...u8 - 104
1116(chain V and (resid 1 through 13 or resid 15...V1 - 13
1216(chain V and (resid 1 through 13 or resid 15...V15 - 23
1316(chain V and (resid 1 through 13 or resid 15...V24
1416(chain V and (resid 1 through 13 or resid 15...V1 - 137
1516(chain V and (resid 1 through 13 or resid 15...V1 - 137
1616(chain V and (resid 1 through 13 or resid 15...V1 - 137
1716(chain V and (resid 1 through 13 or resid 15...V1 - 137
2116(chain v and (resid 1 through 13 or resid 15 through 34 or resid 36 through 137 or resid 201))v1 - 13
2216(chain v and (resid 1 through 13 or resid 15 through 34 or resid 36 through 137 or resid 201))v15 - 34
2316(chain v and (resid 1 through 13 or resid 15 through 34 or resid 36 through 137 or resid 201))v36 - 137
2416(chain v and (resid 1 through 13 or resid 15 through 34 or resid 36 through 137 or resid 201))v201
1117(chain X and (resid 2 through 14 or resid 16...X2 - 14
1217(chain X and (resid 2 through 14 or resid 16...X16 - 37
1317(chain X and (resid 2 through 14 or resid 16...X38
1417(chain X and (resid 2 through 14 or resid 16...X2 - 41
1517(chain X and (resid 2 through 14 or resid 16...X2 - 41
1617(chain X and (resid 2 through 14 or resid 16...X2 - 41
1717(chain X and (resid 2 through 14 or resid 16...X2 - 41
2117(chain x and (resid 2 through 14 or resid 16 through 39))x2 - 14
2217(chain x and (resid 2 through 14 or resid 16 through 39))x16 - 39
1118(chain Y and ((resid 18 through 20 and (name N...Y18 - 20
1218(chain Y and ((resid 18 through 20 and (name N...Y18 - 46
1318(chain Y and ((resid 18 through 20 and (name N...Y18 - 46
1418(chain Y and ((resid 18 through 20 and (name N...Y18 - 46
1518(chain Y and ((resid 18 through 20 and (name N...Y18 - 46
2118(chain y and (resid 18 through 42 or (resid 43...y18 - 42
2218(chain y and (resid 18 through 42 or (resid 43...y43
2318(chain y and (resid 18 through 42 or (resid 43...y17 - 46
2418(chain y and (resid 18 through 42 or (resid 43...y17 - 46
2518(chain y and (resid 18 through 42 or (resid 43...y17 - 46
2618(chain y and (resid 18 through 42 or (resid 43...y17 - 46
1119(chain Z and ((resid 1 through 4 and (name N...Z1 - 4
1219(chain Z and ((resid 1 through 4 and (name N...Z1 - 62
1319(chain Z and ((resid 1 through 4 and (name N...Z1 - 62
1419(chain Z and ((resid 1 through 4 and (name N...Z1 - 62
1519(chain Z and ((resid 1 through 4 and (name N...Z1 - 62
2119(chain z and ((resid 1 through 4 and (name N...z1 - 4
2219(chain z and ((resid 1 through 4 and (name N...z1 - 101
2319(chain z and ((resid 1 through 4 and (name N...z1 - 101
2419(chain z and ((resid 1 through 4 and (name N...z1 - 101
2519(chain z and ((resid 1 through 4 and (name N...z1 - 101

NCS ensembles :
ID
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19

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Components

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Photosystem II ... , 17 types, 33 molecules AaBbCcDdHhIiJjKkLlMmOoTtUuXxYy...

#1: Protein Photosystem II protein D1 3 / / PSII D1 protein 3 / Photosystem II Q(B) protein 3


Mass: 39780.340 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: Q8DIV4, photosystem II
#2: Protein Photosystem II CP47 reaction center protein / / PSII 47 kDa protein / Protein CP-47


Mass: 56656.457 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: Q8DIQ1
#3: Protein Photosystem II CP43 reaction center protein / / PSII 43 kDa protein / Protein CP-43


Mass: 50287.500 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: Q8DIF8
#4: Protein Photosystem II D2 protein / / PSII D2 protein / Photosystem II Q(A) protein


Mass: 39388.156 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: Q8CM25, photosystem II
#7: Protein Photosystem II reaction center protein H / / PSII-H


Mass: 7358.754 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: Q8DJ43
#8: Protein/peptide Photosystem II reaction center protein I / / PSII-I / PSII 4.4 kDa protein


Mass: 4438.255 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: Q8DJZ6
#9: Protein/peptide Photosystem II reaction center protein J / / PSII-J


Mass: 4105.908 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: P59087
#10: Protein/peptide Photosystem II reaction center protein K / / PSII-K


Mass: 5028.083 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: Q9F1K9
#11: Protein/peptide Photosystem II reaction center protein L / / PSII-L


Mass: 4299.044 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: Q8DIN8
#12: Protein/peptide Photosystem II reaction center protein M / / PSII-M


Mass: 4009.682 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: Q8DHA7
#13: Protein Photosystem II manganese-stabilizing polypeptide / / MSP


Mass: 29637.443 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: P0A431
#14: Protein/peptide Photosystem II reaction center protein T / / PSII-T / PSII-Tc


Mass: 3906.738 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: Q8DIQ0
#15: Protein Photosystem II 12 kDa extrinsic protein / / PS II complex 12 kDa extrinsic protein / PSII-U


Mass: 15030.986 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: Q9F1L5
#17: Protein/peptide Photosystem II reaction center X protein /


Mass: 4322.226 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: Q9F1R6
#18: Protein/peptide Photosystem II reaction center protein Ycf12 /


Mass: 5039.143 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: Q8DJI1
#19: Protein Photosystem II reaction center protein Z / / PSII-Z


Mass: 6766.187 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: Q8DHJ2
#20: Protein/peptide Photosystem II protein Y /


Mass: 4590.648 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: Q8DKM3

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Cytochrome b559 subunit ... , 2 types, 4 molecules EeFf

#5: Protein Cytochrome b559 subunit alpha / / PSII reaction center subunit V


Mass: 9580.840 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: Q8DIP0
#6: Protein/peptide Cytochrome b559 subunit beta / / PSII reaction center subunit VI


Mass: 5067.900 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: Q8DIN9

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Protein , 1 types, 2 molecules Vv

#16: Protein Cytochrome c-550 / Cytochrome c-549 / Cytochrome c550 / Low-potential cytochrome c


Mass: 18046.943 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermosynechococcus vestitus BP-1 (bacteria)
References: UniProt: P0A386

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Sugars , 3 types, 45 molecules

#32: Sugar
ChemComp-LMT / DODECYL-BETA-D-MALTOSIDE


Type: D-saccharide / Mass: 510.615 Da / Num. of mol.: 18 / Source method: obtained synthetically / Formula: C24H46O11 / Comment: detergent*YM
#36: Sugar
ChemComp-HTG / heptyl 1-thio-beta-D-glucopyranoside / HEPTYL 1-THIOHEXOPYRANOSIDE / heptyl 1-thio-beta-D-glucoside / heptyl 1-thio-D-glucoside / heptyl 1-thio-glucoside


Type: D-saccharide / Mass: 294.408 Da / Num. of mol.: 18 / Source method: obtained synthetically / Formula: C13H26O5S / Comment: detergent*YM
#37: Sugar
ChemComp-DGD / DIGALACTOSYL DIACYL GLYCEROL (DGDG)


Type: saccharideCarbohydrate / Mass: 949.299 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: C51H96O15

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Non-polymers , 20 types, 3607 molecules

#21: Chemical ChemComp-OEX / CA-MN4-O5 CLUSTER


Mass: 339.827 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: CaMn4O5
#22: Chemical ChemComp-FE2 / FE (II) ION


Mass: 55.845 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Fe
#23: Chemical
ChemComp-CL / CHLORIDE ION / Chloride


Mass: 35.453 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Cl
#24: Chemical...
ChemComp-CLA / CHLOROPHYLL A / Chlorophyll a


Mass: 893.489 Da / Num. of mol.: 70 / Source method: obtained synthetically / Formula: C55H72MgN4O5
#25: Chemical
ChemComp-PHO / PHEOPHYTIN A / Pheophytin


Mass: 871.200 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C55H74N4O5 / Feature type: SUBJECT OF INVESTIGATION
#26: Chemical
ChemComp-BCR / BETA-CAROTENE / Β-Carotene


Mass: 536.873 Da / Num. of mol.: 20 / Source method: obtained synthetically / Formula: C40H56
#27: Chemical
ChemComp-SQD / 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL / SULFOQUINOVOSYLDIACYLGLYCEROL


Mass: 795.116 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C41H78O12S / Feature type: SUBJECT OF INVESTIGATION
#28: Chemical
ChemComp-LMG / 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE


Mass: 787.158 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C45H86O10
#29: Chemical
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 / PLASTOQUINONE 9 / Plastoquinone


Mass: 749.201 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C53H80O2 / Feature type: SUBJECT OF INVESTIGATION
#30: Chemical...
ChemComp-UNL / UNKNOWN LIGAND


Mass: 258.120 Da / Num. of mol.: 82 / Source method: obtained synthetically
#31: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C3H8O3
#33: Chemical
ChemComp-BCT / BICARBONATE ION / Bicarbonate


Mass: 61.017 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: CHO3 / Comment: pH buffer*YM
#34: Chemical...
ChemComp-DMS / DIMETHYL SULFOXIDE / Dimethyl sulfoxide


Mass: 78.133 Da / Num. of mol.: 71 / Source method: obtained synthetically / Formula: C2H6OS / Comment: DMSO, precipitant*YM
#35: Chemical
ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Ca
#38: Chemical
ChemComp-LHG / 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE / Phosphatidylglycerol


Mass: 722.970 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C38H75O10P / Comment: phospholipid*YM
#39: Chemical ChemComp-HEM / PROTOPORPHYRIN IX CONTAINING FE / HEME / Heme B


Mass: 616.487 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C34H32FeN4O4
#40: Chemical ChemComp-RRX / (3R)-beta,beta-caroten-3-ol / beta-Cryptoxanthin / Β-Cryptoxanthin


Mass: 552.872 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Formula: C40H56O
#41: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Formula: Mg
#42: Chemical ChemComp-HEC / HEME C / Heme C


Mass: 618.503 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Formula: C34H34FeN4O4
#43: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 3290 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 3.19 Å3/Da / Density % sol: 61.48 %
Crystal growTemperature: 285 K / Method: microbatch / pH: 6
Details: 5% PEG 1450, 20mM NaCl, 10mM CaCl2, 40mM MgSO4, 20mM MES BUFFER pH 6.0, MICRO-BATCH METHOD UNDER OIL, TMPERATURE 285K

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SPring-8 / Beamline: BL41XU / Wavelength: 0.9 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: May 14, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9 Å / Relative weight: 1
ReflectionResolution: 1.9→19.99 Å / Num. obs: 628112 / % possible obs: 99.6 % / Redundancy: 6.808 % / Biso Wilson estimate: 39.777 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.079 / Rrim(I) all: 0.086 / Χ2: 1.036 / Net I/σ(I): 15.81 / Num. measured all: 4275973
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. unique obsCC1/2Rrim(I) all% possible all
1.9-2.016.8231.2121.631007400.7351.31199.4
2.01-2.156.6080.6613.01947300.8880.71899.5
2.15-2.327.0730.385.41885470.9630.4199.8
2.32-2.546.8080.2228.69816710.9840.24199.9
2.54-2.846.8730.12614.36738010.9940.13699.6
2.84-3.286.9020.07523.14654240.9970.08199.8
3.28-4.026.7830.04338.26553790.9990.04699.5
4.02-5.666.5560.03250.8431990.9990.03599.5

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Processing

Software
NameVersionClassification
XDSdata reduction
SCALAdata scaling
PHASERphasing
Cootmodel building
PHENIX1.17.1_3660refinement
REFMAC5.8.0103refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3WU2
Resolution: 1.9→19.99 Å / SU ML: 0.2 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 18.8 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.1771 31327 5.01 %
Rwork0.1467 593996 -
obs0.1482 625323 99.63 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 157.25 Å2 / Biso mean: 43.9454 Å2 / Biso min: 15.46 Å2
Refinement stepCycle: final / Resolution: 1.9→19.99 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms41221 0 10242 3409 54872
Biso mean--52.48 50.67 -
Num. residues----5298
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A3156X-RAY DIFFRACTION10.261TORSIONAL
12a3156X-RAY DIFFRACTION10.261TORSIONAL
21B5620X-RAY DIFFRACTION10.261TORSIONAL
22b5620X-RAY DIFFRACTION10.261TORSIONAL
31C4998X-RAY DIFFRACTION10.261TORSIONAL
32c4998X-RAY DIFFRACTION10.261TORSIONAL
41D3484X-RAY DIFFRACTION10.261TORSIONAL
42d3484X-RAY DIFFRACTION10.261TORSIONAL
51E722X-RAY DIFFRACTION10.261TORSIONAL
52e722X-RAY DIFFRACTION10.261TORSIONAL
61F342X-RAY DIFFRACTION10.261TORSIONAL
62f342X-RAY DIFFRACTION10.261TORSIONAL
71H0X-RAY DIFFRACTION10.261TORSIONAL
72h0X-RAY DIFFRACTION10.261TORSIONAL
81I0X-RAY DIFFRACTION10.261TORSIONAL
82i0X-RAY DIFFRACTION10.261TORSIONAL
91J346X-RAY DIFFRACTION10.261TORSIONAL
92j346X-RAY DIFFRACTION10.261TORSIONAL
101K436X-RAY DIFFRACTION10.261TORSIONAL
102k436X-RAY DIFFRACTION10.261TORSIONAL
111L418X-RAY DIFFRACTION10.261TORSIONAL
112l418X-RAY DIFFRACTION10.261TORSIONAL
121M0X-RAY DIFFRACTION10.261TORSIONAL
122m0X-RAY DIFFRACTION10.261TORSIONAL
131O2237X-RAY DIFFRACTION10.261TORSIONAL
132o2237X-RAY DIFFRACTION10.261TORSIONAL
141T330X-RAY DIFFRACTION10.261TORSIONAL
142t330X-RAY DIFFRACTION10.261TORSIONAL
151U956X-RAY DIFFRACTION10.261TORSIONAL
152u956X-RAY DIFFRACTION10.261TORSIONAL
161V1340X-RAY DIFFRACTION10.261TORSIONAL
162v1340X-RAY DIFFRACTION10.261TORSIONAL
171X321X-RAY DIFFRACTION10.261TORSIONAL
172x321X-RAY DIFFRACTION10.261TORSIONAL
181Y258X-RAY DIFFRACTION10.261TORSIONAL
182y258X-RAY DIFFRACTION10.261TORSIONAL
191Z470X-RAY DIFFRACTION10.261TORSIONAL
192z470X-RAY DIFFRACTION10.261TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
1.9-1.920.328810060.30781970999
1.92-1.940.309510350.286519598100
1.94-1.970.283210560.266719608100
1.97-1.990.28310560.256619663100
1.99-2.020.268210850.239119608100
2.02-2.050.245910610.227419743100
2.05-2.080.246810330.215419682100
2.08-2.110.244210360.212219616100
2.11-2.140.24059840.20041956599
2.14-2.170.219510160.181719761100
2.17-2.210.220810020.174219786100
2.21-2.250.199910300.164119726100
2.25-2.30.199710300.160319802100
2.3-2.340.195710490.15119681100
2.34-2.390.185110280.145519830100
2.39-2.450.183310000.14219839100
2.45-2.510.172710480.134419838100
2.51-2.580.177210670.13851958199
2.58-2.650.166910540.128519776100
2.65-2.740.167610580.128419828100
2.74-2.840.172710250.127319800100
2.84-2.950.167610680.127219834100
2.95-3.080.174210090.131719913100
3.08-3.250.161911040.130519852100
3.25-3.450.159710620.12741968699
3.45-3.710.159810340.129420025100
3.71-4.080.157210720.124619958100
4.08-4.670.142710610.120320060100
4.67-5.860.159410410.13152011399
Refinement TLS params.Method: refined / Origin x: -13.3005 Å / Origin y: -13.5744 Å / Origin z: 25.7266 Å
111213212223313233
T0.1464 Å20.0341 Å2-0.0181 Å2-0.2252 Å2-0.0357 Å2--0.2057 Å2
L0.1266 °20.054 °2-0.0229 °2-0.3458 °2-0.152 °2--0.3867 °2
S-0.0068 Å °0.023 Å °-0.0207 Å °0.0303 Å °0.0417 Å °0.0054 Å °-0.0632 Å °-0.0045 Å °-0.0321 Å °
Refinement TLS groupSelection details: all

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