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- PDB-7bfd: Circular permutant of ribosomal protein S6, P54-55 truncated, Y4A... -

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Basic information

Entry
Database: PDB / ID: 7bfd
TitleCircular permutant of ribosomal protein S6, P54-55 truncated, Y4A mutant.
Components30S ribosomal protein S6,30S ribosomal protein S6
KeywordsRIBOSOMAL PROTEIN / Circular permutant / native stacking / / designed amyloid fibril
Function / homology
Function and homology information


small ribosomal subunit rRNA binding / cytosolic small ribosomal subunit / structural constituent of ribosome / translation
Similarity search - Function
Ribosomal protein S6, conserved site / Ribosomal protein S6 signature. / Ribosomal protein S6, plastid/chloroplast / Ribosomal protein S6 / Ribosomal protein S6 / Ribosomal protein S6 superfamily / Translation elongation factor EF1B/ribosomal protein S6
Similarity search - Domain/homology
Small ribosomal subunit protein bS6
Similarity search - Component
Biological speciesThermus thermophilus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.57 Å
AuthorsWang, H. / Logan, D.T. / Oliveberg, M.
CitationJournal: To Be Published
Title: Circular permutant of ribosomal protein S6
Authors: Wang, H. / Logan, D.T. / Oliveberg, M.
History
DepositionJan 2, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jul 13, 2022Provider: repository / Type: Initial release
Revision 1.1Jan 31, 2024Group: 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: 30S ribosomal protein S6,30S ribosomal protein S6
B: 30S ribosomal protein S6,30S ribosomal protein S6
J: 30S ribosomal protein S6,30S ribosomal protein S6
K: 30S ribosomal protein S6,30S ribosomal protein S6
L: 30S ribosomal protein S6,30S ribosomal protein S6
C: 30S ribosomal protein S6,30S ribosomal protein S6
D: 30S ribosomal protein S6,30S ribosomal protein S6
E: 30S ribosomal protein S6,30S ribosomal protein S6
F: 30S ribosomal protein S6,30S ribosomal protein S6
G: 30S ribosomal protein S6,30S ribosomal protein S6
H: 30S ribosomal protein S6,30S ribosomal protein S6
I: 30S ribosomal protein S6,30S ribosomal protein S6


Theoretical massNumber of molelcules
Total (without water)120,47312
Polymers120,47312
Non-polymers00
Water41423
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: microscopy
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area13180 Å2
ΔGint-17 kcal/mol
Surface area51100 Å2
MethodPISA
Unit cell
Length a, b, c (Å)61.041, 75.063, 223.592
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
12A
22J
13A
23K
14A
24L
15A
25C
16A
26D
17A
27E
18A
28F
19A
29G
110A
210H
111A
211I
112B
212J
113B
213K
114B
214L
115B
215C
116B
216D
117B
217E
118B
218F
119B
219G
120B
220H
121B
221I
122J
222K
123J
223L
124J
224C
125J
225D
126J
226E
127J
227F
128J
228G
129J
229H
130J
230I
131K
231L
132K
232C
133K
233D
134K
234E
135K
235F
136K
236G
137K
237H
138K
238I
139L
239C
140L
240D
141L
241E
142L
242F
143L
243G
144L
244H
145L
245I
146C
246D
147C
247E
148C
248F
149C
249G
150C
250H
151C
251I
152D
252E
153D
253F
154D
254G
155D
255H
156D
256I
157E
257F
158E
258G
159E
259H
160E
260I
161F
261G
162F
262H
163F
263I
164G
264H
165G
265I
166H
266I

NCS domain segments:
Dom-IDComponent-IDEns-IDRefine codeAuth asym-IDAuth seq-ID
1110A-38 - 45
2110B-38 - 45
1220A-38 - 45
2220J-38 - 45
1330A-38 - 45
2330K-38 - 45
1440A-38 - 45
2440L-38 - 45
1550A-38 - 45
2550C-38 - 45
1660A-38 - 45
2660D-38 - 45
1770A-38 - 45
2770E-38 - 45
1880A-38 - 45
2880F-38 - 45
1990A-38 - 45
2990G-38 - 45
110100A-38 - 45
210100H-38 - 45
111110A-38 - 45
211110I-38 - 45
112120B-38 - 45
212120J-38 - 45
113130B-38 - 45
213130K-38 - 45
114140B-38 - 45
214140L-38 - 45
115150B-38 - 45
215150C-38 - 45
116160B-38 - 45
216160D-38 - 45
117170B-38 - 45
217170E-38 - 45
118180B-38 - 45
218180F-38 - 45
119190B-38 - 45
219190G-38 - 45
120200B-38 - 45
220200H-38 - 45
121210B-38 - 45
221210I-38 - 45
122220J-38 - 45
222220K-38 - 45
123230J-38 - 45
223230L-38 - 45
124240J-38 - 45
224240C-38 - 45
125250J-38 - 45
225250D-38 - 45
126260J-38 - 45
226260E-38 - 45
127270J-38 - 45
227270F-38 - 45
128280J-38 - 45
228280G-38 - 45
129290J-38 - 45
229290H-38 - 45
130300J-38 - 45
230300I-38 - 45
131310K-38 - 45
231310L-38 - 45
132320K-38 - 45
232320C-38 - 45
133330K-38 - 45
233330D-38 - 45
134340K-38 - 45
234340E-38 - 45
135350K-38 - 45
235350F-38 - 45
136360K-38 - 45
236360G-38 - 45
137370K-38 - 45
237370H-38 - 45
138380K-38 - 45
238380I-38 - 45
139390L-38 - 45
239390C-38 - 45
140400L-38 - 45
240400D-38 - 45
141410L-38 - 45
241410E-38 - 45
142420L-38 - 45
242420F-38 - 45
143430L-38 - 45
243430G-38 - 45
144440L-38 - 45
244440H-38 - 45
145450L-38 - 45
245450I-38 - 45
146460C-38 - 45
246460D-38 - 45
147470C-38 - 45
247470E-38 - 45
148480C-38 - 45
248480F-38 - 45
149490C-38 - 45
249490G-38 - 45
150500C-38 - 45
250500H-38 - 45
151510C-38 - 45
251510I-38 - 45
152520D-38 - 45
252520E-38 - 45
153530D-38 - 45
253530F-38 - 45
154540D-38 - 45
254540G-38 - 45
155550D-38 - 45
255550H-38 - 45
156560D-38 - 45
256560I-38 - 45
157570E-38 - 45
257570F-38 - 45
158580E-38 - 45
258580G-38 - 45
159590E-38 - 45
259590H-38 - 45
160600E-38 - 45
260600I-38 - 45
161610F-38 - 45
261610G-38 - 45
162620F-38 - 45
262620H-38 - 45
163630F-38 - 45
263630I-38 - 45
164640G-38 - 45
264640H-38 - 45
165650G-38 - 45
265650I-38 - 45
166660H-38 - 45
266660I-38 - 45

NCS ensembles :
ID
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66

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Components

#1: Protein
30S ribosomal protein S6,30S ribosomal protein S6 / TS9 / TS9


Mass: 10039.454 Da / Num. of mol.: 12 / Mutation: Y4A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / Gene: rpsF, TTHA0245 / Production host: Escherichia coli BL21 (bacteria) / References: UniProt: Q5SLP8
#2: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 23 / Source method: isolated from a natural source / Formula: H2O

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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: 2.15 Å3/Da / Density % sol: 42.9 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / Details: 0.2 M ammonium citrate dibasic 20% w/v PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: MAX IV / Beamline: BioMAX / Wavelength: 0.75142 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Oct 27, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.75142 Å / Relative weight: 1
ReflectionResolution: 2.57→47.9 Å / Num. obs: 33539 / % possible obs: 99.6 % / Redundancy: 6.5 % / CC1/2: 0.997 / Rmerge(I) obs: 0.174 / Rpim(I) all: 0.074 / Rrim(I) all: 0.189 / Net I/σ(I): 8.5
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. measured allNum. unique obsCC1/2Rpim(I) allRrim(I) allNet I/σ(I) obs% possible all
2.57-2.665.41.311708231600.690.6191.4541.197.6
9.95-47.365.60.04437926830.9990.0190.04830.699.1

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Processing

Software
NameVersionClassification
Aimless0.7.2data scaling
REFMAC5.8.0238refinement
PDB_EXTRACT3.27data extraction
XDSdata reduction
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1ris
Resolution: 2.57→47.4 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.916 / SU B: 48.135 / SU ML: 0.426 / Cross valid method: FREE R-VALUE / σ(F): 0 / ESU R Free: 0.396 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: U VALUES : WITH TLS ADDED
RfactorNum. reflection% reflectionSelection details
Rfree0.2972 1622 4.8 %RANDOM
Rwork0.2567 ---
obs0.2587 31839 99.44 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso max: 160.84 Å2 / Biso mean: 70.507 Å2 / Biso min: 30.59 Å2
Baniso -1Baniso -2Baniso -3
1-3.93 Å20 Å20 Å2
2--3.33 Å20 Å2
3----7.27 Å2
Refinement stepCycle: final / Resolution: 2.57→47.4 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8208 0 0 23 8231
Biso mean---48.52 -
Num. residues----1008
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0090.0128304
X-RAY DIFFRACTIONr_angle_refined_deg1.7731.64111232
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.6185996
X-RAY DIFFRACTIONr_dihedral_angle_2_deg33.36621.458576
X-RAY DIFFRACTIONr_dihedral_angle_3_deg20.666151536
X-RAY DIFFRACTIONr_dihedral_angle_4_deg21.24715108
X-RAY DIFFRACTIONr_chiral_restr0.1070.21032
X-RAY DIFFRACTIONr_gen_planes_refined0.0090.026468
Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-IDDom-IDAuth asym-IDNumberRms dev position (Å)
11A25710.11
12B25710.11
21A26330.08
22J26330.08
31A24220.15
32K24220.15
41A25900.11
42L25900.11
51A25990.11
52C25990.11
61A26290.08
62D26290.08
71A25700.11
72E25700.11
81A26060.11
82F26060.11
91A26200.08
92G26200.08
101A25480.12
102H25480.12
111A26070.11
112I26070.11
121B25380.12
122J25380.12
131B24500.13
132K24500.13
141B25380.11
142L25380.11
151B25870.12
152C25870.12
161B25590.11
162D25590.11
171B26040.09
172E26040.09
181B25870.12
182F25870.12
191B25410.12
192G25410.12
201B25370.1
202H25370.1
211B25480.13
212I25480.13
221J23800.16
222K23800.16
231J25400.12
232L25400.12
241J25410.11
242C25410.11
251J25890.09
252D25890.09
261J25120.12
262E25120.12
271J25430.11
272F25430.11
281J25760.09
282G25760.09
291J24900.12
292H24900.12
301J25570.11
302I25570.11
311K23940.16
312L23940.16
321K24290.15
322C24290.15
331K24600.15
332D24600.15
341K24790.13
342E24790.13
351K24200.15
352F24200.15
361K23970.16
362G23970.16
371K24350.13
372H24350.13
381K24120.15
382I24120.15
391L26080.09
392C26080.09
401L25440.11
402D25440.11
411L25300.11
412E25300.11
421L26010.09
422F26010.09
431L25380.11
432G25380.11
441L25080.12
442H25080.12
451L26190.09
452I26190.09
461C25980.11
462D25980.11
471C25740.1
472E25740.1
481C27100.06
482F27100.06
491C25710.11
492G25710.11
501C25060.12
502H25060.12
511C26380.09
512I26380.09
521D25870.11
522E25870.11
531D26020.11
532F26020.11
541D26070.08
542G26070.08
551D24830.12
552H24830.12
561D25700.11
562I25700.11
571E25790.1
572F25790.1
581E25480.12
582G25480.12
591E25320.09
592H25320.09
601E25550.11
602I25550.11
611F25900.11
612G25900.11
621F25150.11
622H25150.11
631F26460.08
632I26460.08
641G25060.12
642H25060.12
651G25510.12
652I25510.12
661H25360.12
662I25360.12
LS refinement shellResolution: 2.57→2.637 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.382 119 -
Rwork0.413 2210 -
all-2329 -
obs--95.84 %
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
14.1336-0.6963-0.41636.14311.14435.9741-0.2346-0.1773-0.311-0.01050.04920.21490.3094-0.37070.18540.064-0.04060.04180.0815-0.00190.0451-2.94942.8116195.9405
23.585-2.58150.63455.4822-2.26115.4178-0.0902-0.02410.1183-0.123-0.199-0.2204-0.64540.42480.28930.31380.03290.01460.06630.03950.02855.70529.0189215.0525
31.15380.501-0.87487.94431.03615.29910.04090.28310.04580.2068-0.03860.44210.0571-0.551-0.00230.0899-0.02970.02160.1242-0.00330.028-4.1339.9923140.9466
44.71953.5136-0.47418.1295-1.33294.7884-0.25450.0115-0.0435-0.49760.009-0.47440.42420.06320.24550.266-0.02610.06550.0222-0.00570.04594.57221.9049158.6618
54.65751.35621.41813.9491-0.52496.5589-0.0152-0.00550.2121-0.0278-0.1822-0.06280.018-0.04340.19740.0938-0.03360.02260.0236-0.00370.0213.186712.6211177.4987
61.972-2.03750.39278.52660.05255.38520.0496-0.2078-0.1478-0.2229-0.10550.5953-0.0407-0.36990.05590.15030.0473-0.05630.0796-0.02890.0583-5.30377.21179.9982
76.418-0.96270.18473.00420.38043.4907-0.13080.0850.3517-0.1176-0.1484-0.353-0.33550.24310.27920.1171-0.0712-0.03840.26950.06250.08331.420312.917684.6691
82.65-1.702-0.1614.6450.11164.48830.10310.0358-0.2076-0.191-0.14140.360.0159-0.18820.03830.0710.0043-0.04340.1083-0.01630.0432-6.86665.6318103.4395
91.31380.2231-0.62167.24170.63254.77770.0278-0.20570.0539-0.0811-0.0081-0.17660.13230.1119-0.01970.02730.006-0.02070.08070.00350.05245.24917.5083121.3743
101.72220.7183-0.62918.5438-1.83613.91590.0681-0.17970.0026-0.1465-0.13-0.40030.30490.34520.06190.1983-0.0061-0.00210.2249-0.00360.02045.61984.131228.8675
118.14721.17552.47175.2386-0.09845.859-0.5242-0.22710.35910.0680.10180.1885-0.4799-0.38610.42250.23370.0321-0.04140.2029-0.05910.0468-2.405313.472846.3099
127.76150.382-0.20544.85290.33454.02480.35330.4515-0.6459-0.4829-0.35590.3290.3856-0.40380.00260.18040.0294-0.06520.3899-0.02410.0862-2.43384.192365.5594
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A-38 - 45
2X-RAY DIFFRACTION2B-38 - 45
3X-RAY DIFFRACTION3J-38 - 45
4X-RAY DIFFRACTION4K-38 - 45
5X-RAY DIFFRACTION5L-38 - 45
6X-RAY DIFFRACTION6C-38 - 45
7X-RAY DIFFRACTION7D-38 - 45
8X-RAY DIFFRACTION8E-38 - 45
9X-RAY DIFFRACTION9F-38 - 45
10X-RAY DIFFRACTION10G-38 - 45
11X-RAY DIFFRACTION11H-38 - 45
12X-RAY DIFFRACTION12I-38 - 45

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