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- PDB-9rp8: Crystal structure of the T=1 icosahedral capsid of Turnip Crinkle... -

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Basic information

Entry
Database: PDB / ID: 9rp8
TitleCrystal structure of the T=1 icosahedral capsid of Turnip Crinkle Virus P38
ComponentsCapsid protein
KeywordsVIRAL PROTEIN / plant viral suppressor / RNA silencing / VSR / RNAi / janus head / T=1 icosahedral symmetry / capsid / virus-like particle
Function / homologyPlant viruses icosahedral capsid proteins 'S' region signature. / Icosahedral viral capsid protein, S domain / Viral coat protein (S domain) / T=3 icosahedral viral capsid / Viral coat protein subunit / structural molecule activity / Capsid protein
Function and homology information
Biological speciesTurnip crinkle virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.89 Å
AuthorsParthier, C. / Stubbs, M.T. / Golbik, R.P. / Tamilarasan, S. / Behrens, S.-E.
Funding support1items
OrganizationGrant numberCountry
Not funded
CitationJournal: To Be Published
Title: A flexible Janus head: molecular determinants of a viral protein's capsid forming and RNAi suppressor activities
Authors: Arendt, D. / Tamilarasan, S. / Golbik, R.P. / Thondorf, I. / Bender, J. / Gursinsky, T. / Lilie, H. / Parthier, C. / Schmidt, C. / Stubbs, M.T. / Behrens, S.-E.
History
DepositionJun 24, 2025Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 3, 2026Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Capsid protein
B: Capsid protein
C: Capsid protein
D: Capsid protein
E: Capsid protein
F: Capsid protein
G: Capsid protein
H: Capsid protein
I: Capsid protein
J: Capsid protein
K: Capsid protein
N: Capsid protein
M: Capsid protein
L: Capsid protein
P: Capsid protein
O: Capsid protein
T: Capsid protein
S: Capsid protein
R: Capsid protein
Q: Capsid protein


Theoretical massNumber of molelcules
Total (without water)763,69920
Polymers763,69920
Non-polymers00
Water00
1
A: Capsid protein
B: Capsid protein
C: Capsid protein
D: Capsid protein
E: Capsid protein
F: Capsid protein
G: Capsid protein
H: Capsid protein
I: Capsid protein
J: Capsid protein
K: Capsid protein
N: Capsid protein
M: Capsid protein
L: Capsid protein
P: Capsid protein
O: Capsid protein
T: Capsid protein
S: Capsid protein
R: Capsid protein
Q: Capsid protein

A: Capsid protein
B: Capsid protein
C: Capsid protein
D: Capsid protein
E: Capsid protein
F: Capsid protein
G: Capsid protein
H: Capsid protein
I: Capsid protein
J: Capsid protein
K: Capsid protein
N: Capsid protein
M: Capsid protein
L: Capsid protein
P: Capsid protein
O: Capsid protein
T: Capsid protein
S: Capsid protein
R: Capsid protein
Q: Capsid protein

A: Capsid protein
B: Capsid protein
C: Capsid protein
D: Capsid protein
E: Capsid protein
F: Capsid protein
G: Capsid protein
H: Capsid protein
I: Capsid protein
J: Capsid protein
K: Capsid protein
N: Capsid protein
M: Capsid protein
L: Capsid protein
P: Capsid protein
O: Capsid protein
T: Capsid protein
S: Capsid protein
R: Capsid protein
Q: Capsid protein


Theoretical massNumber of molelcules
Total (without water)2,291,09860
Polymers2,291,09860
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_555-y,x-y,z1
crystal symmetry operation3_555-x+y,-x,z1
Unit cell
Length a, b, c (Å)203.383, 203.383, 469.128
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number146
Space group name H-MH3
Space group name HallR3
Symmetry operation#1: x,y,z
#2: -y,x-y,z
#3: -x+y,-x,z
#4: x+1/3,y+2/3,z+2/3
#5: -y+1/3,x-y+2/3,z+2/3
#6: -x+y+1/3,-x+2/3,z+2/3
#7: x+2/3,y+1/3,z+1/3
#8: -y+2/3,x-y+1/3,z+1/3
#9: -x+y+2/3,-x+1/3,z+1/3
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails (eV)
d_1ens_1(chain "A" and (resid 80 through 350 or (resid 351...
d_2ens_1(chain "B" and (resid 80 through 350 or (resid 351...
d_3ens_1(chain "C" and (resid 80 through 350 or (resid 351...
d_4ens_1(chain "D" and (resid 80 through 350 or (resid 351...
d_5ens_1(chain "E" and (resid 80 through 350 or (resid 351...
d_6ens_1(chain "F" and (resid 80 through 350 or (resid 351...
d_7ens_1(chain "G" and (resid 80 through 350 or (resid 351...
d_8ens_1(chain "H" and (resid 80 through 350 or (resid 351...
d_9ens_1(chain "I" and (resid 80 through 350 or (resid 351...
d_10ens_1chain "J"
d_11ens_1chain "K"
d_12ens_1(chain "L" and (resid 80 through 350 or (resid 351...
d_13ens_1(chain "M" and (resid 80 through 350 or (resid 351...
d_14ens_1chain "N"
d_15ens_1(chain "O" and (resid 80 through 350 or (resid 351...
d_16ens_1(chain "P" and (resid 80 through 350 or (resid 351...
d_17ens_1(chain "Q" and (resid 80 through 350 or (resid 351...
d_18ens_1(chain "R" and (resid 80 through 350 or (resid 351...
d_19ens_1(chain "S" and (resid 80 through 350 or (resid 351...
d_20ens_1(chain "T" and (resid 80 through 350 or (resid 351...

NCS domain segments:

Component-ID: 1 / Ens-ID: ens_1 / Beg auth comp-ID: ASP / Beg label comp-ID: ASP / End auth comp-ID: ILE / End label comp-ID: ILE / Auth seq-ID: 80 - 351 / Label seq-ID: 80 - 351

Dom-IDAuth asym-IDLabel asym-ID
d_1AA
d_2BB
d_3CC
d_4DD
d_5EE
d_6FF
d_7GG
d_8HH
d_9II
d_10JJ
d_11KK
d_12LN
d_13MM
d_14NL
d_15OP
d_16PO
d_17QT
d_18RS
d_19SR
d_20TQ

NCS oper:
IDCodeMatrixVector
1given(0.457083605971, 0.877384292639, -0.145847112354), (-0.619524441569, 0.431727227096, 0.655592150412), (0.638172424546, -0.209304573322, 0.740896451696)-1.28602355506, 6.41929498635, -2.8762056203
2given(-0.440698771653, 0.806902271577, 0.39331071278), (-0.115138900367, -0.485346212409, 0.866707613744), (0.890240207071, 0.336671617787, 0.306797319888)5.34650142145, 6.83288520799, -7.43224344956
3given(-0.402396673887, -0.096687265212, 0.910345258455), (0.824895441615, -0.469549574807, 0.314754995514), (0.397019429307, 0.877596017279, 0.268702071463)6.57986146473, 0.396678598717, -6.16418677597
4given(0.476809365029, -0.598556600539, 0.643725737696), (0.86950699883, 0.428548598926, -0.245568070693), (-0.128881373387, 0.676813190112, 0.724785138703)4.51904352862, -0.863698463607, -3.19987252308
5given(-0.029545820838, 0.886533507269, 0.461720028762), (0.889204655859, -0.187672986364, 0.417245647297), (0.456554623753, 0.422891464419, -0.782764769807)6.21171307111, 2.69291256656, -16.5334344872
6given(-0.2298878072, 0.210758649361, 0.950122301507), (0.863769304975, 0.493982504293, 0.099417670636), (-0.448390659897, 0.843541390313, -0.295607406783)11.2217574457, 1.80247275549, -22.2636742106
7given(0.379079297818, -0.214842722256, 0.900078602489), (-0.019596374073, 0.970593050996, 0.239927304577), (-0.925156672185, -0.108589751136, 0.363721593887)4.13847047548, 7.60241548307, -7.24716346878
8given(0.917807645793, 0.00625958928161, 0.396975997846), (-0.366123296211, 0.400090219205, 0.840167571659), (-0.153567110071, -0.916454381864, 0.369497643654)4.1549262452, 8.3912229175, -10.1560523535
9given(0.716038092808, 0.680647423495, 0.154946876503), (0.129577365954, -0.347708479218, 0.928605685807), (0.685929410275, -0.644839436115, -0.337169016592)2.72709748743, 10.2701068778, -12.921965621
10given(-0.263445311302, 0.796706421162, -0.543925956756), (0.252277462567, 0.60112106863, 0.758293836669), (0.931102921182, 0.0625486956656, -0.359353601397)-3.73811335249, 8.26299508954, -13.9216645515
11given(-0.956814529101, 0.218252799937, 0.192019978701), (0.25892777405, 0.339581983009, 0.904234750848), (0.132145241029, 0.914904252988, -0.381428686831)2.81182599949, 8.48430566628, -11.4822407127
12given(-0.407322323094, -0.788178838732, 0.461370397062), (0.521932032015, 0.213660245297, 0.825794316725), (-0.749450117797, 0.577168448337, 0.324347195423)1.64977624696, 6.49234159677, -4.42491056856
13given(0.568384837442, -0.815377421511, -0.109992440907), (0.689180408822, 0.398806773298, 0.604965719416), (-0.449409657954, -0.41965797748, 0.788617867712)-3.97872184328, 5.57880356391, -7.27409841332
14given(0.614675922676, 0.159952938404, -0.772391460063), (0.468124263227, 0.714151735347, 0.520429604346), (0.634848946019, -0.681470730404, 0.364094025413)-4.63976221063, 6.34993981811, -17.6683443356
15given(-0.800611798, 0.59915071332, -0.00625872447465), (0.599072546753, 0.800219089588, -0.0275951514777), (-0.0115253038909, -0.0258424338511, -0.999599587826)0.362316144229, 1.38779142289, -21.672217857
16given(-0.71787619273, -0.4451815326, 0.535226283869), (-0.238881831904, 0.879657284556, 0.411264552464), (-0.653903083261, 0.167381195954, -0.737830802382)3.32524293534, 5.90787718236, -17.7705321437
17given(0.271536753919, -0.946566197857, 0.174012138502), (-0.367408381112, 0.065160904408, 0.927774292609), (-0.889538572947, -0.315858337885, -0.330082773904)1.63710411151, 10.6647666202, -15.1871788984
18given(0.817216060997, -0.199153428041, -0.54082882851), (0.400574861745, -0.478404964652, 0.781452794438), (-0.414364199451, -0.855258207734, -0.31118436387)-5.2829077047, 7.48142655085, -15.3255710782
19given(0.169388665942, 0.729252554354, -0.662946598014), (0.980802055052, -0.0587907164988, 0.185932731006), (0.0966168135262, -0.681714282982, -0.725210884999)-5.09957794872, 4.15098318865, -17.9811741365

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Components

#1: Protein
Capsid protein


Mass: 38184.965 Da / Num. of mol.: 20
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Turnip crinkle virus / Plasmid: pET-SUMO / Production host: Escherichia coli K-12 (bacteria) / Strain (production host): BL21DE RIPL / References: UniProt: E7E1K6
Has protein modificationN

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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: 2.45 Å3/Da / Density % sol: 49.69 %
Crystal growTemperature: 285 K / Method: vapor diffusion, hanging drop / pH: 5.7
Details: 100 mM MES (sodium salt), 200 mM ammonium sulfate, 22% (w/v) PEG 8000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: BESSY / Beamline: 14.2 / Wavelength: 0.9184 Å
DetectorType: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Apr 20, 2017
RadiationMonochromator: DCM Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9184 Å / Relative weight: 1
Reflection twinOperator: h,-h-k,-l / Fraction: 0.62
ReflectionResolution: 2.89→50 Å / Num. obs: 162094 / % possible obs: 99.9 % / Redundancy: 5.5 % / CC1/2: 0.99 / Rmerge(I) obs: 0.19 / Rrim(I) all: 0.21 / Net I/σ(I): 9.74
Reflection shell
Resolution (Å)Num. unique obsCC1/2Diffraction-ID% possible all
2.89-3.06260710.351199.5
3.06-3.27246010.5871
3.27-3.53228700.8381
3.53-3.87210880.9311
3.87-4.32191020.9751
4.32-4.99168010.9891
4.99-6.09142830.9921
6.09-8.55110390.9921
8.55-5062390.9981

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Processing

Software
NameVersionClassification
PHENIX1.21.2_5419refinement
PHASERphasing
PDB_EXTRACTdata extraction
XDSdata reduction
XDSdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.89→48.81 Å / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 33.2625
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.1932 8109 5 %
Rwork0.1735 153918 -
obs0.1986 162027 99.87 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 73.66 Å2
Refinement stepCycle: LAST / Resolution: 2.89→48.81 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms41357 0 0 0 41357
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003542257
X-RAY DIFFRACTIONf_angle_d0.652757374
X-RAY DIFFRACTIONf_chiral_restr0.04426360
X-RAY DIFFRACTIONf_plane_restr0.00497497
X-RAY DIFFRACTIONf_dihedral_angle_d11.89915277
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS0.738265806502
ens_1d_3AAX-RAY DIFFRACTIONTorsion NCS0.834986848817
ens_1d_4AAX-RAY DIFFRACTIONTorsion NCS1.12128326059
ens_1d_5AAX-RAY DIFFRACTIONTorsion NCS0.786136520998
ens_1d_6AAX-RAY DIFFRACTIONTorsion NCS1.14746258396
ens_1d_7AAX-RAY DIFFRACTIONTorsion NCS1.4355588097
ens_1d_8AAX-RAY DIFFRACTIONTorsion NCS1.31904311343
ens_1d_9AAX-RAY DIFFRACTIONTorsion NCS0.777428338525
ens_1d_10AAX-RAY DIFFRACTIONTorsion NCS0.973849730375
ens_1d_11AAX-RAY DIFFRACTIONTorsion NCS0.825025614362
ens_1d_12AAX-RAY DIFFRACTIONTorsion NCS0.964176105579
ens_1d_13AAX-RAY DIFFRACTIONTorsion NCS1.07680004915
ens_1d_14AAX-RAY DIFFRACTIONTorsion NCS1.07399463075
ens_1d_15AAX-RAY DIFFRACTIONTorsion NCS1.96191647948
ens_1d_16AAX-RAY DIFFRACTIONTorsion NCS0.738143730875
ens_1d_17AAX-RAY DIFFRACTIONTorsion NCS0.902006465567
ens_1d_18AAX-RAY DIFFRACTIONTorsion NCS0.83480051971
ens_1d_19AAX-RAY DIFFRACTIONTorsion NCS0.91908348795
ens_1d_20AAX-RAY DIFFRACTIONTorsion NCS0.881187916693
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.89-2.940.30653980.27067561X-RAY DIFFRACTION92.83
2.94-2.990.29064030.26337668X-RAY DIFFRACTION94.96
2.99-3.050.29544040.26457691X-RAY DIFFRACTION94.94
3.05-3.110.27884070.25767709X-RAY DIFFRACTION94.96
3.11-3.180.2834060.25397709X-RAY DIFFRACTION94.96
3.18-3.250.28534040.25617693X-RAY DIFFRACTION94.98
3.25-3.330.27834060.24777700X-RAY DIFFRACTION94.98
3.33-3.420.25234050.23857695X-RAY DIFFRACTION95
3.42-3.530.22894060.22567725X-RAY DIFFRACTION94.98
3.53-3.640.22694060.21527709X-RAY DIFFRACTION94.99
3.64-3.770.22814070.21417726X-RAY DIFFRACTION95
3.77-3.920.21824040.19577687X-RAY DIFFRACTION95.01
3.92-4.10.19744050.1837691X-RAY DIFFRACTION95
4.1-4.310.1894060.16547708X-RAY DIFFRACTION94.98
4.31-4.580.17754050.15757695X-RAY DIFFRACTION94.99
4.59-4.940.15244050.14657707X-RAY DIFFRACTION95
4.94-5.430.15984080.15077745X-RAY DIFFRACTION94.98
5.44-6.220.17264030.15257666X-RAY DIFFRACTION95.01
6.22-7.830.1744080.16577739X-RAY DIFFRACTION94.99
7.83-48.810.2674070.24647700X-RAY DIFFRACTION94.94

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