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- PDB-1p5w: The structures of host range controlling regions of the capsids o... -

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Basic information

Entry
Database: PDB / ID: 1p5w
TitleThe structures of host range controlling regions of the capsids of canine and feline parvoviruses and mutants
Components
  • 5'-D(P*(3DR)P*TP*AP*CP*CP*TP*CP*TP*TP*GP*C)-3'
  • Coat protein VP2
KeywordsVirus/DNA / parvovirade / canine parvovirus / Icosahedral virus / Virus-DNA COMPLEX
Function / homology
Function and homology information


permeabilization of host organelle membrane involved in viral entry into host cell / symbiont entry into host cell via permeabilization of inner membrane / microtubule-dependent intracellular transport of viral material towards nucleus / adhesion receptor-mediated virion attachment to host cell / T=1 icosahedral viral capsid / viral penetration into host nucleus / clathrin-dependent endocytosis of virus by host cell / entry receptor-mediated virion attachment to host cell / host cell nucleus / structural molecule activity / metal ion binding
Similarity search - Function
Empty Capsid Viral Protein 2 / Parvovirus coat protein VP1/VP2 / Phospholipase A2-like domain / Phospholipase A2-like domain / Parvovirus coat protein VP2 / Parvovirus coat protein VP1/VP2 / Parvovirus coat protein VP2 / Capsid/spike protein, ssDNA virus / Beta Complex / Mainly Beta
Similarity search - Domain/homology
DNA / DNA (> 10) / Capsid protein VP1
Similarity search - Component
Biological speciesCanine parvovirus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.3 Å
AuthorsAgbandje-McKenna, M. / Govindasamy, L.
Citation
Journal: J.Virol. / Year: 2003
Title: Structures of host range-controlling regions of the capsids of canine and feline parvoviruses and mutants.
Authors: Govindasamy, L. / Hueffer, K. / Parrish, C.R. / Agbandje-McKenna, M.
#1: Journal: Science / Year: 1991
Title: The three-dimensional structure of canine parvovirus and its functional implications
Authors: Tsao, J. / Chapman, M.S. / Agbandje, M. / Keller, W. / Smith, K. / Wu, H. / Luo, M. / Smith, T.J. / Rossmann, M.G. / Compans, R.W. / Parrish, C.R.
#2: Journal: Acta Crystallogr.,Sect.B / Year: 1992
Title: Structure determination of monoclinic canine parvovirus
Authors: Tsao, J. / Chapman, M.S. / Wu, H. / Agbandje, M. / Keller, W. / Rossmann, M.G.
#3: Journal: J.Mol.Biol. / Year: 1993
Title: The canine parvovirus empty capsid structure
Authors: Wu, H. / Rossmann, M.G.
History
DepositionApr 28, 2003Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 26, 2003Provider: repository / Type: Initial release
Revision 1.1Apr 29, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Oct 27, 2021Group: Database references / Derived calculations
Category: database_2 / pdbx_struct_conn_angle ...database_2 / pdbx_struct_conn_angle / struct_conn / struct_conn_type / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_conn_type.id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.4Apr 3, 2024Group: Data collection / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / pdbx_struct_oper_list
Item: _pdbx_struct_oper_list.name / _pdbx_struct_oper_list.symmetry_operation / _pdbx_struct_oper_list.type

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
B: 5'-D(P*(3DR)P*TP*AP*CP*CP*TP*CP*TP*TP*GP*C)-3'
A: Coat protein VP2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)64,8546
Polymers64,7572
Non-polymers974
Water1,51384
1
B: 5'-D(P*(3DR)P*TP*AP*CP*CP*TP*CP*TP*TP*GP*C)-3'
A: Coat protein VP2
hetero molecules
x 60


Theoretical massNumber of molelcules
Total (without water)3,891,223360
Polymers3,885,390120
Non-polymers5,833240
Water2,162120
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
B: 5'-D(P*(3DR)P*TP*AP*CP*CP*TP*CP*TP*TP*GP*C)-3'
A: Coat protein VP2
hetero molecules
x 5


  • icosahedral pentamer
  • 324 kDa, 10 polymers
Theoretical massNumber of molelcules
Total (without water)324,26930
Polymers323,78310
Non-polymers48620
Water18010
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
point symmetry operation4
4
B: 5'-D(P*(3DR)P*TP*AP*CP*CP*TP*CP*TP*TP*GP*C)-3'
A: Coat protein VP2
hetero molecules
x 6


  • icosahedral 23 hexamer
  • 389 kDa, 12 polymers
Theoretical massNumber of molelcules
Total (without water)389,12236
Polymers388,53912
Non-polymers58324
Water21612
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
6
B: 5'-D(P*(3DR)P*TP*AP*CP*CP*TP*CP*TP*TP*GP*C)-3'
A: Coat protein VP2
hetero molecules
x 60


  • crystal asymmetric unit, crystal frame
  • 3.89 MDa, 120 polymers
Theoretical massNumber of molelcules
Total (without water)3,891,223360
Polymers3,885,390120
Non-polymers5,833240
Water2,162120
TypeNameSymmetry operationNumber
identity operation1_555x,y,z2
point symmetry operation59
Unit cell
Length a, b, c (Å)372.417, 373.017, 377.083
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121
SymmetryPoint symmetry: (Hermann–Mauguin notation: 532 / Schoenflies symbol: I (icosahedral))
Noncrystallographic symmetry (NCS)NCS oper:
IDCodeMatrixVector
1given(1), (1), (1)
2generate(0.49209291, -0.8445676, 0.21106901), (0.49881604, 0.47226095, 0.72674078), (-0.71346137, -0.25233938, 0.65368013)55.35175, -227.40161, 196.84139
3generate(-0.32971801, -0.86772305, -0.37194453), (-0.0374663, -0.38163878, 0.9235519), (-0.94333573, 0.31844709, 0.09332281)316.19311, -164.13151, 343.40374
4generate(-0.32971801, -0.0374663, -0.94333573), (-0.86772305, -0.38163878, 0.31844709), (-0.37194453, 0.9235519, 0.09332281)422.05018, 102.37318, 237.14286
5generate(0.49209291, 0.49881604, -0.71346137), (-0.8445676, 0.47226095, -0.25233938), (0.21106901, 0.72674078, 0.65368013)226.63209, 203.81203, 24.90768
6generate(0.5051758, -0.69071858, -0.5174024), (-0.69071858, -0.68303227, 0.2374337), (-0.5174024, 0.2374337, -0.82214353)188.73331, 85.0302, 435.53115
7generate(0.27319856, -0.62229353, -0.73356207), (-0.85000494, 0.2008752, -0.486971), (0.45039333, 0.75657116, -0.47407376)271.91998, 248.85713, 191.06734
8generate(0.34739729, -0.33951298, -0.87409728), (0.02935336, 0.93563411, -0.35174877), (0.93725851, 0.09653887, 0.3350026)284.15717, 60.27248, -49.36543
9generate(0.62523187, -0.23317005, -0.74479315), (0.73211304, 0.50583262, 0.45622786), (0.270362, -0.83052098, 0.4869695)208.5335, -220.10618, 46.50275
10generate(0.72274436, -0.45022705, -0.52434359), (0.2870841, -0.49455822, 0.82036265), (-0.62866789, -0.74344319, -0.22818613)149.5583, -204.80507, 346.18532
11generate(-0.63944014, 0.23810419, 0.73104221), (0.23810419, -0.8427623, 0.48276092), (0.73104221, 0.48276092, 0.48220243)166.6187, -132.41781, -39.04943
12generate(-0.71746415, 0.468027, 0.51594179), (-0.64764523, -0.7209184, -0.24664209), (0.25651677, -0.5111041, 0.82034855)220.97865, 167.43451, -13.44818
13generate(-0.48770419, 0.69678542, 0.52596075), (-0.50233768, 0.26875609, -0.82184367), (-0.71400384, -0.6650265, 0.2189481)176.39436, 246.97484, 278.45492
14generate(-0.26768071, 0.60824309, 0.74725323), (0.47321675, 0.75856466, -0.44793478), (-0.83929312, 0.23370924, -0.49088394)94.4798, -3.71884, 433.2597
15generate(-0.36145869, 0.3247625, 0.87400054), (0.93083499, 0.07160852, 0.35835519), (0.05379445, 0.94308088, -0.32818382)88.43811, -238.1964, 237.03123
16generate(-0.86573567, 0.45261439, -0.2136398), (0.45261439, 0.52579457, -0.72019462), (-0.2136398, -0.72019462, -0.6600589)384.57275, 51.11756, 349.98602
17generate(-0.04782732, 0.99883413, 0.00655127), (0.99883413, 0.04778225, 0.00687232), (0.00655127, 0.00687232, -0.99995493)191.67437, -185.16009, 372.00719
18generate(0.47002492, 0.51045062, 0.72008107), (0.51045062, -0.82275142, 0.25004054), (0.72008107, 0.25004054, -0.6472735)-36.81989, -139.38587, 173.97452
19generate(-0.02783314, -0.33760673, 0.94087566), (-0.33760673, -0.88275849, -0.32674016), (0.94087566, -0.32674016, -0.08940837)14.86127, 125.18179, 29.56244
20generate(-0.85337858, -0.37335149, 0.36380443), (-0.37335149, -0.04931124, -0.92637847), (0.36380443, -0.92637847, -0.09731018)275.29625, 242.91938, 138.34352
21generate(-0.25358174, -0.71724841, -0.64903853), (0.85410717, -0.48099743, 0.19784443), (-0.45408947, -0.50417872, 0.73457918)353.67945, -193.53387, 134.00017
22generate(-0.01949687, 0.03921649, -0.99904051), (0.03921649, -0.99843149, -0.03995792), (-0.99904051, -0.03995792, 0.01792835)374.98905, 2.06602, 368.11216
23generate(0.72274436, 0.2870841, -0.62866789), (-0.45022705, -0.49455822, -0.74344319), (-0.52434359, 0.82036265, -0.22818613)168.33945, 223.41628, 325.42906
24generate(0.94738978, -0.31619019, -0.04976304), (0.06217089, 0.33428664, -0.94041864), (0.31398627, 0.8878492, 0.33635757)19.31337, 164.61837, 64.93746
25generate(0.34398707, -0.93690182, -0.06235279), (0.86829376, 0.34266766, -0.3586709), (0.35740571, 0.06923761, 0.93137925)133.85979, -93.07099, -53.3721
26generate(0.70312754, 0.51095382, 0.49450769), (0.66134295, -0.21443599, -0.71877862), (-0.26122243, 0.83243222, -0.48869155)-37.84415, 12.9327, 325.36006
27generate(0.2480639, -0.47731897, 0.84298926), (0.73129885, -0.47844242, -0.48610167), (0.63534738, 0.73706136, 0.23037852)-17.77695, -43.1831, 25.40979
28generate(-0.71746415, -0.64764523, 0.25651677), (0.468027, -0.7209184, -0.5111041), (0.51594179, -0.24664209, 0.82034855)270.43211, 10.40922, -61.68353
29generate(-0.85912965, 0.23536014, -0.45442474), (0.23536014, -0.60677035, -0.75923339), (-0.45442474, -0.75923339, 0.4659)428.4879, 99.6469, 184.44011
30generate(0.01884429, 0.95141373, -0.30733825), (0.35483597, -0.29374701, -0.88758331), (-0.93473864, -0.09232879, -0.34313127)237.96269, 101.2065, 423.6462
31generate(-0.48310407, 0.2307606, -0.84460642), (-0.51604528, 0.70424455, 0.48758269), (0.70732435, 0.67140833, -0.22114049)431.74904, 4.74327, 96.41772
32generate(0.47996906, 0.73012073, -0.48636759), (-0.25052516, 0.64538601, 0.72160519), (0.84075374, -0.22450084, 0.49267893)186.27954, -87.99064, -60.63958
33generate(0.94738978, 0.06217089, 0.31398627), (-0.31619019, 0.33428664, 0.8878492), (-0.04976304, -0.94041864, 0.33635757)-48.92123, -106.57769, 133.92907
34generate(0.27319856, -0.85000494, 0.45039333), (-0.62229353, 0.2008752, 0.75657116), (-0.73356207, -0.486971, -0.47407376)51.18619, -25.33122, 411.23641
35generate(-0.61089526, -0.74581076, -0.26565633), (-0.74581076, 0.42952177, 0.50919285), (-0.26565633, 0.50919285, -0.8186265)348.25675, 43.46891, 388.05312
36generate(0.03355827, -0.02446601, 0.99913726), (-0.99940484, -0.00881114, 0.0333515), (0.00798756, -0.99966183, -0.02474713)-7.65958, 179.58784, 190.68979
37generate(-0.70853609, -0.29201824, 0.64241883), (-0.51999018, 0.8314879, -0.19554559), (-0.47706061, -0.4726026, -0.7409858)196.4331, 132.83766, 413.58537
38generate(-0.95266999, 0.29839024, 0.05816485), (0.29839024, 0.88118998, 0.36669808), (0.05816485, 0.36669808, -0.92851999)350.07443, -123.51787, 348.79315
39generate(-0.36145869, 0.93083499, 0.05379445), (0.3247625, 0.07160852, 0.94308088), (0.87400054, 0.35835519, -0.32818382)240.9373, -235.20411, 85.85378
40generate(0.2480639, 0.73129885, 0.63534738), (-0.47731897, -0.47844242, 0.73706136), (0.84298926, -0.48610167, 0.23037852)19.84553, -47.87448, -11.85947
41generate(-0.25358174, 0.85410717, -0.45408947), (-0.71724841, -0.48099743, -0.50417872), (-0.64903853, 0.19784443, 0.73457918)315.83338, 228.14676, 169.40745
42generate(0.62523187, 0.73211304, 0.270362), (-0.23317005, 0.50583262, -0.83052098), (-0.74479315, 0.45622786, 0.4869695)18.18824, 198.58216, 233.08748
43generate(0.47996906, -0.25052516, 0.84075374), (0.73012073, 0.64538601, -0.22450084), (-0.48636759, 0.72160519, 0.49267893)-60.46933, -92.83227, 183.97067
44generate(-0.48862191, -0.73583484, 0.46882376), (0.8413888, -0.2551953, 0.47638245), (-0.23089719, 0.62723396, 0.74381721)188.56275, -243.37168, 89.9348
45generate(-0.94198124, -0.05313452, -0.33143336), (-0.05313452, -0.95133855, 0.30353202), (-0.33143336, 0.30353202, 0.89331979)421.13062, -44.99573, 80.93423
46generate(-0.48310407, -0.51604528, 0.70732435), (0.23076061, 0.70424456, 0.67140833), (-0.84460642, 0.48758269, -0.22114049)142.82885, -167.70675, 383.66713
47generate(-0.99979235, -0.01417977, -0.01463557), (-0.01417977, -0.03172849, 0.99939594), (-0.01463557, 0.99939594, 0.03152084)372.66843, -182.91915, 182.51
48generate(-0.48862191, 0.8413888, -0.23089719), (-0.73583484, -0.2551953, 0.62723396), (0.46882376, 0.47638245, 0.74381721)317.67179, 20.23357, -39.35975
49generate(0.34398707, 0.86829376, 0.35740571), (-0.93690182, 0.34266766, 0.06923761), (-0.06235279, -0.3586709, 0.93137925)53.84242, 161.00125, 24.67434
50generate(0.34739729, 0.02935336, 0.93725851), (-0.33951298, 0.93563411, 0.09653887), (-0.87409728, -0.35174877, 0.3350026)-54.21646, 44.84775, 286.11933
51generate(0.03355827, -0.99940484, 0.00798756), (-0.02446601, -0.00881114, -0.99966183), (0.99913726, 0.0333515, -0.02474713)178.21486, 192.02028, 6.38247
52generate(-0.48770419, -0.50233768, -0.71400384), (0.69678542, 0.26875609, -0.6650265), (0.52596075, -0.82184367, 0.2189481)408.91092, -4.10511, 49.23103
53generate(0.01884429, 0.35483597, -0.93473864), (0.95141373, -0.29374701, -0.09232879), (-0.30733825, -0.88758331, -0.34313127)355.60253, -157.55713, 308.3305
54generate(0.85317093, 0.38753126, -0.34916885), (0.38753126, -0.91896027, -0.07301747), (-0.34916885, -0.07301747, -0.93421066)91.96007, -56.27029, 425.61423
55generate(0.86226467, -0.44943559, 0.23346798), (-0.21559559, -0.74286021, -0.63378013), (0.45827742, 0.49615154, -0.73743844)-17.67154, 159.78043, 239.00009
56generate(0.70312754, 0.66134295, -0.26122243), (0.51095382, -0.21443599, 0.83243222), (0.49450769, -0.71877862, -0.48869155)103.04766, -248.73035, 187.01069
57generate(0.86226467, -0.21559559, 0.45827742), (-0.44943559, -0.74286021, 0.49615154), (0.23346798, -0.63378013, -0.73743844)-59.84284, -7.82796, 281.63925
58generate(-0.01019144, -0.94569962, 0.32488209), (-0.94569962, -0.0964437, -0.31040433), (0.32488209, -0.31040433, -0.89336486)127.11976, 233.88576, 293.52632
59generate(-0.70853609, -0.51999018, -0.47706061), (-0.29201824, 0.8314879, -0.4726026), (0.64241883, -0.19554559, -0.7409858)405.55951, 142.37067, 206.24438
60generate(-0.26768071, 0.47321675, -0.83929312), (0.60824309, 0.75856466, 0.23370924), (0.74725323, -0.44793478, -0.49088394)390.68213, -155.9025, 140.4141

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Components

#1: DNA chain 5'-D(P*(3DR)P*TP*AP*CP*CP*TP*CP*TP*TP*GP*C)-3'


Mass: 3151.049 Da / Num. of mol.: 1 / Source method: obtained synthetically
#2: Protein Coat protein VP2


Mass: 61605.453 Da / Num. of mol.: 1 / Fragment: sequence database residues 190-737 / Mutation: N93R
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Canine parvovirus / Genus: ParvovirusParvoviridae / Species: Feline panleukopenia virus
Cell line (production host): NLFK Nordisk Laboratory feline kidney
Production host: Felis catus (domestic cat) / References: UniProt: P17455
#3: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#4: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 84 / 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: 15

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Sample preparation

Crystal growMethod: vapor diffusion, sitting drop / pH: 7.5
Details: PEG8000, CaCl2, Tris.HCL, pH 7.5, VAPOR DIFFUSION, SITTING DROP
Components of the solutions
IDNameCrystal-IDSol-ID
1PEG800011
2CaCl211
3Tris.HCL11
4CaCl212
Crystal grow
*PLUS
Temperature: 20 ℃ / Method: vapor diffusion, sitting drop
Components of the solutions
*PLUS
IDConc.Common nameCrystal-IDSol-IDChemical formulaDetails
11 %1reservoir
28 mM1reservoirCaCl2
320 mMTris-HCl1reservoirpH7.2
41

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: CHESS / Beamline: F1
DetectorType: ADSC QUANTUM 4 / Detector: CCD
RadiationMonochromator: 0.2 collimator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthRelative weight: 1
ReflectionResolution: 3.3→10 Å / Num. obs: 448898 / % possible obs: 70.5 % / Rsym value: 0.131
Reflection shellResolution: 3.3→3.5 Å / Num. unique all: 94834 / Rsym value: 0.1945 / % possible all: 63.6
Reflection
*PLUS
Lowest resolution: 10 Å / Rmerge(I) obs: 0.131
Reflection shell
*PLUS
Highest resolution: 3.3 Å / Lowest resolution: 3.41 Å / % possible obs: 61.2 % / Rmerge(I) obs: 0.198

-
Processing

Software
NameClassification
DENZOdata reduction
SCALEPACKdata scaling
AMoREphasing
CNSrefinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: FPV

Resolution: 3.3→10 Å / σ(F): 2 / Stereochemistry target values: Engh & Huber
RfactorNum. reflectionSelection details
Rfree0.202 -random
Rwork0.2 --
obs0.2 448898 -
Refinement stepCycle: LAST / Resolution: 3.3→10 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4322 210 4 84 4620
LS refinement shellResolution: 3.3→3.5 Å /
Rfactor% reflection
Rfree0.273 -
Rwork0.272 -
obs-63.6 %
Software
*PLUS
Name: CNS / Version: 1.1 / Classification: refinement
Refinement
*PLUS
Lowest resolution: 10 Å / Num. reflection all: 5882971 / % reflection Rfree: 5 % / Rfactor obs: 0.2 / Rfactor Rwork: 0.2
Solvent computation
*PLUS
Displacement parameters
*PLUS
Refine LS restraints
*PLUS
Refine-IDTypeDev ideal
X-RAY DIFFRACTIONc_bond_d0.008
X-RAY DIFFRACTIONc_angle_d
X-RAY DIFFRACTIONc_angle_deg1.42

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