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- PDB-2wff: Equine Rhinitis A Virus -

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Basic information

Entry
Database: PDB / ID: 2wff
TitleEquine Rhinitis A Virus
Components(P1) x 4
KeywordsVIRUS / CAPSID / PICORNAVIRUS
Function / homology
Function and homology information


icosahedral viral capsid / host cell cytoplasm / symbiont entry into host cell / virion attachment to host cell / structural molecule activity / cytoplasm
Similarity search - Function
Capsid protein VP4, Picornavirus / Viral protein VP4 subunit / Capsid protein VP4 superfamily, Picornavirus / Jelly Rolls - #20 / Picornavirus capsid / picornavirus capsid protein / Picornavirus/Calicivirus coat protein / Viral coat protein subunit / Jelly Rolls / Sandwich / Mainly Beta
Similarity search - Domain/homology
Biological speciesEQUINE RHINITIS A VIRUS
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 4 Å
AuthorsFry, E.E. / Tuthill, T.J. / Harlos, K. / Walter, T.S. / Knowles, N.J. / Gropelli, E. / Rowlands, D.J. / Stuart, D.I.
CitationJournal: Plos Pathog. / Year: 2009
Title: Equine Rhinitis a Virus and its Low Ph Empty Particle: Clues Towards an Aphthovirus Entry Mechanism?
Authors: Tuthill, T.J. / Harlos, K. / Walter, T.S. / Knowles, N.J. / Groppelli, E. / Rowlands, D.J. / Stuart, D.I. / Fry, E.E.
History
DepositionApr 5, 2009Deposition site: PDBE / Processing site: PDBE
Revision 1.0May 5, 2010Provider: repository / Type: Initial release
Revision 1.1Dec 7, 2011Group: Other / Version format compliance
Revision 1.2Dec 13, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _pdbx_struct_oper_list.name / _pdbx_struct_oper_list.symmetry_operation / _pdbx_struct_oper_list.type
Remark 700 SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
1: P1
2: P1
3: P1
4: P1


Theoretical massNumber of molelcules
Total (without water)85,0444
Polymers85,0444
Non-polymers00
Water00
1
1: P1
2: P1
3: P1
4: P1
x 60


Theoretical massNumber of molelcules
Total (without water)5,102,611240
Polymers5,102,611240
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
point symmetry operation59
2


  • Idetical with deposited unit
  • icosahedral asymmetric unit
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
1: P1
2: P1
3: P1
4: P1
x 5


  • icosahedral pentamer
  • 425 kDa, 20 polymers
Theoretical massNumber of molelcules
Total (without water)425,21820
Polymers425,21820
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
point symmetry operation4
4
1: P1
2: P1
3: P1
4: P1
x 6


  • icosahedral 23 hexamer
  • 510 kDa, 24 polymers
Theoretical massNumber of molelcules
Total (without water)510,26124
Polymers510,26124
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
point symmetry operation5
5


  • Idetical with deposited unit in distinct coordinate
  • icosahedral asymmetric unit, std point frame
TypeNameSymmetry operationNumber
transform to point frame1
Unit cell
Length a, b, c (Å)314.000, 497.800, 556.500
Angle α, β, γ (deg.)90.00, 92.35, 90.00
Int Tables number4
Space group name H-MP1211
SymmetryPoint symmetry: (Schoenflies symbol: I (icosahedral))
Noncrystallographic symmetry (NCS)NCS oper:
IDCodeMatrixVector
1given(1), (1), (1)
2generate(0.457142, -0.85202, 0.255114), (0.524609, 0.489942, 0.696234), (-0.718197, -0.184443, 0.670951)-36.84622, -158.43204, 88.4435
3generate(-0.421221, -0.853988, -0.305414), (-0.003184, -0.33535, 0.942088), (-0.906953, 0.3978, 0.138537)103.86027, -193.80694, 203.46919
4generate(-0.421221, -0.003184, -0.906953), (-0.853988, -0.33535, 0.3978), (-0.305414, 0.942088, 0.138537)227.66788, -57.23779, 186.11547
5generate(0.457142, 0.524609, -0.718197), (-0.85202, 0.489942, -0.184443), (0.255114, 0.696234, 0.670951)163.4787, 62.54148, 60.3646
6generate(-0.999279, -0.030511, -0.022608), (-0.030511, 0.290653, 0.956342), (-0.022608, 0.956342, -0.291374)60.92453, -196.49223, 267.12418
7generate(-0.456582, 0.840627, -0.291342), (-0.54831, -0.007991, 0.836237), (0.700635, 0.541556, 0.464573)100.57859, -156.83445, 90.67185
8generate(0.441519, 0.85461, 0.273317), (-0.85543, 0.309018, 0.415628), (0.27074, -0.417311, 0.867497)-41.54758, -61.40548, 20.14476
9generate(0.453878, -0.007885, 0.891029), (-0.527442, 0.803585, 0.275783), (-0.718192, -0.595138, 0.360571)-169.04045, -42.08491, 153.00895
10generate(-0.436584, -0.55492, 0.708137), (-0.017614, 0.792235, 0.609962), (-0.899491, 0.253827, -0.355651)-105.7092, -125.57311, 305.65063
11generate(0.444829, 0.555003, -0.702921), (0.555003, -0.786806, -0.270014), (-0.702921, -0.270014, -0.658023)160.6392, 41.71198, 363.12234
12generate(0.999346, 0.022565, 0.028269), (0.034873, -0.808561, -0.587378), (0.009603, 0.58798, -0.808819)-5.85022, 122.0365, 373.60333
13generate(0.448378, -0.845621, 0.289625), (0.013616, -0.317522, -0.948153), (0.89374, 0.429074, -0.130856)-43.74712, 196.90375, 208.55992
14generate(-0.446656, -0.849751, -0.280039), (0.52061, 0.007712, -0.85376), (0.727643, -0.527128, 0.438944)99.32073, 162.84973, 96.07649
15generate(-0.448849, 0.015883, -0.893466), (0.855206, -0.282322, -0.434647), (-0.259148, -0.959188, 0.113137)225.63842, 66.93594, 191.60132
16generate(-0.44555, -0.524492, 0.725529), (-0.524492, -0.503847, -0.686328), (0.725529, -0.686328, -0.050603)-109.08097, 157.99934, 197.57899
17generate(-0.999906, -0.011172, 0.007959), (-0.011172, 0.326611, -0.945093), (0.007959, -0.945093, -0.326705)54.60061, 196.44907, 275.10682
18generate(-0.468676, 0.844999, -0.257528), (0.844999, 0.343854, -0.409563), (-0.257528, -0.409563, -0.875179)93.9172, 61.52776, 395.65163
19generate(0.413999, 0.86082, 0.295963), (0.86082, -0.475946, 0.180178), (0.295963, 0.180178, -0.938052)-45.4654, -60.30794, 392.62459
20generate(0.428291, 0.014428, 0.903526), (0.014428, -0.999854, 0.009127), (0.903526, 0.009127, -0.428437)-170.92516, -0.68522, 270.20896
21generate(0.473657, -0.840103, 0.264341), (-0.520337, -0.024782, 0.853601), (-0.710562, -0.54186, -0.448875)-39.2298, -161.2013, 320.27146
22generate(-0.414046, -0.863922, -0.286713), (-0.863922, 0.273755, 0.422725), (-0.286713, 0.422725, -0.859709)99.7962, -62.60708, 392.60098
23generate(-0.436584, -0.017614, -0.899491), (-0.55492, 0.792235, 0.253827), (0.708137, 0.609962, -0.355651)226.56734, -36.75912, 260.1564
24generate(0.43719, 0.529253, -0.727156), (-0.020361, 0.814135, 0.580318), (0.899138, -0.238904, 0.366708)165.89022, -119.37842, 105.97162
25generate(0.99975, 0.020927, -0.007868), (0.001012, 0.309191, 0.950999), (0.022334, -0.95077, 0.309093)1.61855, -196.28791, 143.12477
26generate(-0.453659, -0.00583, -0.891156), (0.50142, 0.825008, -0.260653), (0.736731, -0.565091, -0.371349)225.31307, 39.98446, 263.54684
27generate(0.429581, 0.548038, -0.717715), (0.849227, 0.025062, 0.527432), (0.30704, -0.836078, -0.454642)164.13531, -132.25176, 293.08619
28generate(0.999346, 0.034873, 0.009603), (0.022565, -0.808561, 0.58798), (0.028269, -0.587378, -0.808819)-1.99709, -120.8652, 374.02432
29generate(0.46824, -0.836148, 0.28567), (-0.836148, -0.523822, -0.162686), (0.28567, -0.162686, -0.944418)-43.49479, 58.4083, 394.50748
30generate(-0.429766, -0.861304, -0.27103), (-0.5402, 0.485779, -0.68717), (0.723523, -0.148912, -0.674047)96.99061, 157.81886, 326.22864
31generate(-0.441375, 0.852504, -0.280046), (-0.84523, -0.499774, -0.189242), (-0.301289, 0.153177, 0.941149)97.80377, 64.14021, 20.52877
32generate(0.446589, 0.84539, 0.293044), (-0.512663, 0.510197, -0.690562), (-0.733304, 0.158164, 0.661248)-45.76541, 157.72679, 90.60051
33generate(0.43719, -0.020361, 0.899138), (0.529253, 0.814135, -0.238904), (-0.727156, 0.580318, 0.366708)-170.23945, 34.7093, 151.04485
34generate(-0.456582, -0.54831, 0.700635), (0.840627, -0.007991, 0.541556), (-0.291342, 0.836237, 0.464573)-103.59946, -134.90627, 118.32976
35generate(-0.999565, -0.00885, -0.028142), (-0.00885, -0.820032, 0.572249), (-0.028142, 0.572249, 0.819597)62.06036, -116.71697, 37.66638
36generate(0.421377, -0.006571, 0.906862), (0.864147, -0.300452, -0.403706), (0.275121, 0.953774, -0.120925)-171.40427, 60.29572, 223.47844
37generate(-0.462123, -0.529505, 0.711384), (0.527358, -0.809014, -0.259596), (0.712976, 0.255189, 0.653103)-105.68334, 40.35114, 51.53781
38generate(-0.999952, 0.003102, -0.00925), (0.003102, -0.797809, -0.602903), (-0.00925, -0.602903, 0.797761)58.15196, 126.13411, 42.59993
39generate(-0.448849, 0.855206, -0.259148), (0.015883, -0.282322, -0.959188), (-0.893466, -0.434647, 0.113137)93.6868, 199.09547, 209.01664
40generate(0.429581, 0.849227, 0.30704), (0.548038, 0.025062, -0.836078), (-0.717715, 0.527432, -0.454642)-48.18675, 158.40511, 320.80571
41generate(0.473657, -0.520337, -0.710562), (-0.840103, -0.024782, -0.54186), (0.264341, 0.853601, -0.448875)162.27526, 136.59047, 291.73348
42generate(0.453878, -0.527442, -0.718192), (-0.007885, 0.803585, -0.595138), (0.891029, 0.275783, 0.360571)164.41623, 123.54732, 107.05566
43generate(0.446589, -0.512663, -0.733304), (0.84539, 0.510197, 0.158164), (0.293044, -0.690562, 0.661248)167.73679, -56.11183, 62.42193
44generate(0.461863, -0.496425, -0.735014), (0.540524, -0.499495, 0.677007), (-0.703219, -0.709977, 0.037632)167.64804, -154.10415, 219.51459
45generate(0.478592, -0.501168, -0.720958), (-0.501168, -0.83013, 0.244368), (-0.720958, 0.244368, -0.648462)164.27262, -35.00757, 361.23693
46generate(-0.441375, -0.84523, -0.301289), (0.852504, -0.499774, 0.153177), (-0.280046, -0.189242, 0.941149)103.56641, -54.46697, 20.20697
47generate(-0.428801, 0.017518, -0.903229), (0.017518, -0.999463, -0.0277), (-0.903229, -0.0277, 0.428264)227.09377, 6.84928, 143.7461
48generate(0.461863, 0.540524, -0.703219), (-0.496425, -0.499495, -0.709977), (-0.735014, 0.677007, 0.037632)160.23339, 162.10082, 219.29248
49generate(0.99975, 0.001013, 0.022334), (0.020927, 0.309191, -0.95077), (-0.007868, 0.950999, 0.309093)-4.61595, 196.73531, 142.44358
50generate(0.441519, -0.85543, 0.27074), (0.854611, 0.309018, -0.417311), (0.273317, 0.415628, 0.867497)-39.63808, 62.88905, 19.40197
51generate(0.421377, 0.864147, 0.275121), (-0.006571, -0.300452, 0.953774), (0.906862, -0.403706, -0.120925)-41.36216, -196.15835, 206.80591
52generate(0.448378, 0.013616, 0.89374), (-0.845621, -0.317522, 0.429074), (0.289625, -0.948153, -0.130856)-169.46424, -63.95993, 226.65642
53generate(-0.429766, -0.5402, 0.723523), (-0.861304, 0.485779, -0.148912), (-0.27103, -0.68717, -0.674047)-109.09695, 55.45251, 354.62934
54generate(-0.99949, -0.031946, -0.000297), (-0.031946, 0.999317, 0.018573), (-0.000297, 0.018573, -0.999827)56.31415, -2.94497, 413.87044
55generate(-0.473455, 0.835988, -0.277425), (0.496308, 0.5134, 0.700071), (0.727681, 0.193764, -0.657979)98.17656, -158.44903, 322.51053
56generate(-0.453659, 0.50142, 0.736731), (-0.00583, 0.825008, -0.565091), (-0.891156, -0.260653, -0.371349)-111.99674, 117.25394, 309.07914
57generate(-0.473455, 0.496308, 0.727681), (0.835988, 0.5134, 0.193764), (-0.277425, 0.700071, -0.657979)-109.56301, -63.21758, 350.36732
58generate(-0.478686, 0.512339, 0.713), (0.512339, -0.496481, 0.700725), (0.713, 0.700725, -0.024833)-106.39047, -158.22241, 191.48175
59generate(-0.462123, 0.527358, 0.712976), (-0.529505, -0.809014, 0.255189), (0.711384, -0.259596, 0.653103)-106.86348, -36.4671, 51.99688
60generate(-0.446656, 0.52061, 0.727643), (-0.849751, 0.007712, -0.527128), (-0.280039, -0.85376, 0.438944)-110.32834, 133.78664, 124.67607

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Components

#1: Protein P1


Mass: 27296.846 Da / Num. of mol.: 1 / Fragment: CAPSID PROTEIN VP1, RESIDUES 537-782 / Source method: isolated from a natural source / Source: (natural) EQUINE RHINITIS A VIRUS / Strain: NM11/67 / References: UniProt: B9VV85
#2: Protein P1


Mass: 25297.660 Da / Num. of mol.: 1 / Fragment: CAPSID PROTEIN VP2, RESIDUES 81-310 / Source method: isolated from a natural source / Source: (natural) EQUINE RHINITIS A VIRUS / Strain: NM11/67 / References: UniProt: B9VV85
#3: Protein P1


Mass: 24338.451 Da / Num. of mol.: 1 / Fragment: CAPSID PROTEIN VP3, RESIDUES 311-536 / Source method: isolated from a natural source / Source: (natural) EQUINE RHINITIS A VIRUS / Strain: NM11/67 / References: UniProt: B9VV85
#4: Protein P1


Mass: 8110.563 Da / Num. of mol.: 1 / Fragment: CAPSID PROTEIN VP4, RESIDUES 1-80 / Source method: isolated from a natural source / Source: (natural) EQUINE RHINITIS A VIRUS / Strain: NM11/67 / References: UniProt: B9VV85

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION

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Sample preparation

CrystalDescription: NONE

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Data collection

DiffractionMean temperature: 293 K
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 0.9796
DetectorType: MARRESEARCH / Detector: CCD
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9796 Å / Relative weight: 1
ReflectionResolution: 3.5→20 Å / Num. obs: 491997 / % possible obs: 22.9 % / Observed criterion σ(I): 0 / Redundancy: 1.4 % / Rmerge(I) obs: 0.44

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Processing

Software
NameVersionClassification
X-PLOR3.1refinement
DENZOdata reduction
SCALEPACKdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2WS9
Resolution: 4→20 Å / Cross valid method: THROUGHOUT / σ(F): 0
RfactorNum. reflection% reflection
Rwork0.462 --
obs0.462 408137 35 %
Refinement stepCycle: LAST / Resolution: 4→20 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5506 0 0 0 5506
Refine LS restraints
Refine-IDTypeDev ideal
X-RAY DIFFRACTIONx_bond_d0.015
X-RAY DIFFRACTIONx_bond_d_na
X-RAY DIFFRACTIONx_bond_d_prot
X-RAY DIFFRACTIONx_angle_d
X-RAY DIFFRACTIONx_angle_d_na
X-RAY DIFFRACTIONx_angle_d_prot
X-RAY DIFFRACTIONx_angle_deg2.2
X-RAY DIFFRACTIONx_angle_deg_na
X-RAY DIFFRACTIONx_angle_deg_prot
X-RAY DIFFRACTIONx_dihedral_angle_d
X-RAY DIFFRACTIONx_dihedral_angle_d_na
X-RAY DIFFRACTIONx_dihedral_angle_d_prot
X-RAY DIFFRACTIONx_improper_angle_d
X-RAY DIFFRACTIONx_improper_angle_d_na
X-RAY DIFFRACTIONx_improper_angle_d_prot
X-RAY DIFFRACTIONx_mcbond_it
X-RAY DIFFRACTIONx_mcangle_it
X-RAY DIFFRACTIONx_scbond_it
X-RAY DIFFRACTIONx_scangle_it

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