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- PDB-1cov: COXSACKIEVIRUS B3 COAT PROTEIN -

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Basic information

Entry
Database: PDB / ID: 1cov
TitleCOXSACKIEVIRUS B3 COAT PROTEIN
Components(COXSACKIEVIRUS COAT ...) x 4
KeywordsVIRUS / COXSACKIEVIRUS B3 / Icosahedral virus
Function / homology
Function and homology information


symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of RIG-I activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of MDA-5 activity / picornain 2A / symbiont-mediated suppression of host mRNA export from nucleus / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of MAVS activity / symbiont genome entry into host cell via pore formation in plasma membrane / picornain 3C / T=pseudo3 icosahedral viral capsid / host cell cytoplasmic vesicle membrane / endocytosis involved in viral entry into host cell ...symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of RIG-I activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of MDA-5 activity / picornain 2A / symbiont-mediated suppression of host mRNA export from nucleus / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of MAVS activity / symbiont genome entry into host cell via pore formation in plasma membrane / picornain 3C / T=pseudo3 icosahedral viral capsid / host cell cytoplasmic vesicle membrane / endocytosis involved in viral entry into host cell / nucleoside-triphosphate phosphatase / channel activity / monoatomic ion transmembrane transport / DNA replication / RNA helicase activity / induction by virus of host autophagy / RNA-directed RNA polymerase / viral RNA genome replication / cysteine-type endopeptidase activity / RNA-dependent RNA polymerase activity / virus-mediated perturbation of host defense response / DNA-templated transcription / host cell nucleus / virion attachment to host cell / structural molecule activity / ATP hydrolysis activity / proteolysis / RNA binding / ATP binding / membrane / metal ion binding
Similarity search - Function
Picornavirus coat protein VP4 / Rhinovirus 14, subunit 4 / Jelly Rolls - #20 / Picornavirus coat protein VP4 superfamily / Picornavirus coat protein / Poliovirus 3A protein-like / Poliovirus 3A protein like / Picornavirus 2B protein / Poliovirus core protein 3a, soluble domain / Picornavirus 2B protein ...Picornavirus coat protein VP4 / Rhinovirus 14, subunit 4 / Jelly Rolls - #20 / Picornavirus coat protein VP4 superfamily / Picornavirus coat protein / Poliovirus 3A protein-like / Poliovirus 3A protein like / Picornavirus 2B protein / Poliovirus core protein 3a, soluble domain / Picornavirus 2B protein / Peptidase C3, picornavirus core protein 2A / Picornavirus core protein 2A / Picornavirus coat protein VP4 / Picornavirus coat protein (VP4) / Peptidase C3A/C3B, picornaviral / 3C cysteine protease (picornain 3C) / Picornavirales 3C/3C-like protease domain / Picornavirales 3C/3C-like protease domain profile. / Picornavirus capsid / picornavirus capsid protein / Helicase, superfamily 3, single-stranded RNA virus / Superfamily 3 helicase of positive ssRNA viruses domain profile. / Helicase, superfamily 3, single-stranded DNA/RNA virus / RNA helicase / Picornavirus/Calicivirus coat protein / Viral coat protein subunit / Few Secondary Structures / Irregular / RNA-directed RNA polymerase, C-terminal domain / Viral RNA-dependent RNA polymerase / Reverse transcriptase/Diguanylate cyclase domain / Jelly Rolls / RNA-directed RNA polymerase, catalytic domain / RdRp of positive ssRNA viruses catalytic domain profile. / ATPases associated with a variety of cellular activities / AAA+ ATPase domain / Peptidase S1, PA clan, chymotrypsin-like fold / Peptidase S1, PA clan / DNA/RNA polymerase superfamily / Sandwich / P-loop containing nucleoside triphosphate hydrolase / Mainly Beta
Similarity search - Domain/homology
MYRISTIC ACID / PALMITIC ACID / Genome polyprotein
Similarity search - Component
Biological speciesHuman coxsackievirus B3
MethodX-RAY DIFFRACTION / Resolution: 3.5 Å
AuthorsMuckelbauer, J.K. / Rossmann, M.G.
Citation
Journal: Acta Crystallogr.,Sect.D / Year: 1995
Title: Structure determination of coxsackievirus B3 to 3.5 A resolution.
Authors: Muckelbauer, J.K. / Kremer, M. / Minor, I. / Tong, L. / Zlotnick, A. / Johnson, J.E. / Rossmann, M.G.
#1: Journal: Structure / Year: 1995
Title: The Structure of Coxsackievirus B3 at 3.5 Angstroms Resolution
Authors: Muckelbauer, J.K. / Kremer, M. / Minor, I. / Diana, G. / Dutko, F.J. / Groarke, J. / Pevear, D.C. / Rossmann, M.G.
History
DepositionOct 19, 1994Processing site: BNL
Revision 1.0Mar 8, 1996Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Aug 10, 2011Group: Advisory
Revision 2.0Apr 19, 2023Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Database references / Derived calculations / Other / Refinement description
Category: atom_site / cell ...atom_site / cell / database_2 / database_PDB_matrix / pdbx_database_remark / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_oper_list / pdbx_validate_rmsd_angle / pdbx_validate_rmsd_bond / pdbx_validate_torsion / struct_conn / struct_ncs_oper / struct_ref_seq_dif / struct_site
Item: _atom_site.Cartn_x / _atom_site.Cartn_y ..._atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _cell.Z_PDB / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _database_PDB_matrix.origx[1][1] / _database_PDB_matrix.origx[1][2] / _database_PDB_matrix.origx[1][3] / _database_PDB_matrix.origx[2][1] / _database_PDB_matrix.origx[2][2] / _database_PDB_matrix.origx[2][3] / _database_PDB_matrix.origx[3][1] / _database_PDB_matrix.origx[3][2] / _database_PDB_matrix.origx[3][3] / _database_PDB_matrix.origx_vector[1] / _database_PDB_matrix.origx_vector[2] / _database_PDB_matrix.origx_vector[3] / _pdbx_database_status.process_site / _pdbx_validate_rmsd_angle.angle_deviation / _pdbx_validate_rmsd_angle.angle_value / _pdbx_validate_rmsd_bond.bond_deviation / _pdbx_validate_rmsd_bond.bond_value / _pdbx_validate_torsion.phi / _pdbx_validate_torsion.psi / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Details: Coordinates and associated matrices have been transformed from the icosahedral point symmetry frame to the crystallographic frame
Provider: repository / Type: Remediation

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
1: COXSACKIEVIRUS COAT PROTEIN
2: COXSACKIEVIRUS COAT PROTEIN
3: COXSACKIEVIRUS COAT PROTEIN
4: COXSACKIEVIRUS COAT PROTEIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)94,3206
Polymers93,8354
Non-polymers4852
Water00
1
1: COXSACKIEVIRUS COAT PROTEIN
2: COXSACKIEVIRUS COAT PROTEIN
3: COXSACKIEVIRUS COAT PROTEIN
4: COXSACKIEVIRUS COAT PROTEIN
hetero molecules
x 60


Theoretical massNumber of molelcules
Total (without water)5,659,212360
Polymers5,630,125240
Non-polymers29,088120
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: COXSACKIEVIRUS COAT PROTEIN
2: COXSACKIEVIRUS COAT PROTEIN
3: COXSACKIEVIRUS COAT PROTEIN
4: COXSACKIEVIRUS COAT PROTEIN
hetero molecules
x 5


  • icosahedral pentamer
  • 472 kDa, 20 polymers
Theoretical massNumber of molelcules
Total (without water)471,60130
Polymers469,17720
Non-polymers2,42410
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
point symmetry operation4
4
1: COXSACKIEVIRUS COAT PROTEIN
2: COXSACKIEVIRUS COAT PROTEIN
3: COXSACKIEVIRUS COAT PROTEIN
4: COXSACKIEVIRUS COAT PROTEIN
hetero molecules
x 6


  • icosahedral 23 hexamer
  • 566 kDa, 24 polymers
Theoretical massNumber of molelcules
Total (without water)565,92136
Polymers563,01224
Non-polymers2,90912
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
6
1: COXSACKIEVIRUS COAT PROTEIN
2: COXSACKIEVIRUS COAT PROTEIN
3: COXSACKIEVIRUS COAT PROTEIN
4: COXSACKIEVIRUS COAT PROTEIN
hetero molecules
x 120


  • crystal asymmetric unit
  • 11.3 MDa, 480 polymers
Theoretical massNumber of molelcules
Total (without water)11,318,424720
Polymers11,260,249480
Non-polymers58,175240
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z2
transform to crystal frame1
point symmetry operation59
Unit cell
Length a, b, c (Å)574.620, 302.070, 521.610
Angle α, β, γ (deg.)90.00, 107.70, 90.00
Int Tables number4
Space group name H-MP1211
SymmetryPoint symmetry: (Hermann–Mauguin notation: 532 / Schoenflies symbol: I (icosahedral))
Noncrystallographic symmetry (NCS)NCS oper:
IDCodeMatrixVector
1given(1), (1), (1)
2generate(0.80122195, -0.36352299, 0.47528059), (-0.25875514, 0.5056995, 0.82299516), (-0.53952347, -0.7823803, 0.31111254)-67.12188, -112.73127, 63.41869
3generate(0.47959502, -0.84694618, 0.22949333), (-0.78219784, -0.29409977, 0.54925105), (-0.39768565, -0.44292845, -0.80352922)-49.77931, -100.17801, 207.56159
4generate(0.47959669, -0.78219513, -0.39769215), (-0.8469481, -0.2941024, -0.44292725), (0.22949843, 0.54924462, -0.80352826)28.06085, 20.3116, 233.22812
5generate(0.80122465, -0.25875361, -0.53952682), (-0.36352324, 0.50569523, -0.78238307), (0.47528167, 0.82298947, 0.31111409)58.82616, 82.22501, 104.948
6generate(0.18614395, -0.49152027, -0.8507427), (-0.49152075, -0.79632117, 0.35253537), (-0.85073666, 0.35253252, -0.38982277)72.89507, -64.72146, 139.0267
7generate(0.73532168, 0.34937518, -0.58072492), (-0.37796613, -0.49983685, -0.77930057), (-0.56252996, 0.79252752, -0.23548482)61.85746, 80.39797, 131.66626
8generate(0.81206797, 0.36372025, 0.4563474), (0.24695154, 0.49434155, -0.83345345), (-0.52873232, 0.78951203, 0.31162446)-63.71303, 112.69279, 65.14755
9generate(0.31032207, -0.46830946, 0.82727555), (0.51961729, 0.81229327, 0.26491416), (-0.79605095, 0.34765336, 0.49541865)-130.28225, -12.46734, 31.39717
10generate(-0.07652026, -0.99687716, 0.01944943), (0.06321631, 0.01461984, 0.99789556), (-0.99506058, 0.07758517, 0.06190042)-45.8538, -122.11537, 77.057
11generate(-0.74179673, -0.35819657, 0.56695251), (-0.35819667, -0.50308599, -0.78651407), (0.56694834, -0.78650806, 0.24488271)-139.51178, 82.07164, 115.38917
12generate(-0.80754281, -0.35505214, -0.47096959), (0.26752386, 0.49115552, -0.82897565), (0.52564448, -0.79542691, -0.30164669)-13.38566, 112.9483, 181.52872
13generate(-0.30105031, 0.48248803, -0.82254016), (0.5345088, 0.79970025, 0.27346279), (0.78972417, -0.35732842, -0.49864995)50.97534, -12.94954, 216.78593
14generate(0.07772536, 0.99697188, -0.00190061), (0.07379404, -0.00385013, 0.9972688), (0.99423825, -0.0776498, -0.07387523)-35.37351, -121.63535, 172.43652
15generate(-0.19467091, 0.47740023, 0.85685308), (-0.47792828, -0.8090163, 0.34216707), (0.85655522, -0.34289742, 0.38565322)-153.10102, -62.90903, 109.76988
16generate(-0.44434722, 0.84971683, 0.28379019), (0.84971743, 0.29940715, 0.4339787), (0.28378832, 0.43397554, -0.85505994)-91.58057, -20.82514, 241.66609
17generate(-0.72900082, 0.36919995, 0.57641392), (0.36919741, -0.49701817, 0.78528106), (0.57640895, 0.78527968, 0.22601898)-139.5472, -84.08995, 119.46829
18generate(-0.99061268, 0.00073789, 0.13669943), (0.0007375, -0.99994203, 0.01073961), (0.1366938, 0.01074484, 0.9905547)-95.68027, -3.04019, 6.58689
19generate(-0.86764411, 0.2535327, -0.42768279), (0.25353677, -0.51434074, -0.8192557), (-0.42768573, -0.81924818, 0.38198485)-20.60237, 110.31613, 59.02015
20generate(-0.53003349, 0.77823054, -0.3367757), (0.77823521, 0.28870122, -0.55767955), (-0.33677631, -0.55767722, -0.75866774)-18.06862, 99.32443, 204.30708
21generate(-0.31860356, -0.50527421, 0.80199181), (-0.4726733, 0.81807081, 0.32763231), (-0.8216258, -0.27469899, -0.49946725)-152.05224, -59.48508, 153.23128
22generate(-0.55722328, -0.76715979, -0.3177546), (-0.76716158, 0.32919255, 0.55054639), (-0.31775055, 0.55053808, -0.77196926)-22.8455, -99.20251, 207.67195
23generate(-0.07651692, 0.06321609, -0.99506365), (-0.99687965, 0.01461673, 0.07758875), (0.01945228, 0.99789, 0.06190019)80.88769, -49.90455, 117.97983
24generate(0.45919567, 0.8383022, -0.29391724), (-0.84436497, 0.30907645, -0.43762922), (-0.27602017, 0.44913164, 0.84976185)15.79158, 20.2807, 8.10638
25generate(0.30957791, 0.48695587, 0.81672411), (-0.52038763, 0.80563837, -0.2830938), (-0.79583502, -0.33737161, 0.5028177)-128.17321, 14.35961, 29.89297
26generate(-0.49323721, 0.84168885, -0.21971205), (-0.76881287, -0.30361755, 0.56280373), (0.40699469, 0.44651591, 0.79685476)-31.07651, -101.33773, 41.67844
27generate(-0.49444398, 0.77684308, 0.3899246), (-0.84107297, -0.31438464, -0.44018232), (-0.21936706, -0.54559253, 0.80882862)-106.78801, 20.1859, 14.55937
28generate(-0.80754498, 0.26752159, 0.52564889), (-0.3550488, 0.49115519, -0.79542893), (-0.47096886, -0.82897247, -0.30164419)-136.446, 84.16549, 142.08389
29generate(-0.99984528, 0.01758937, -0.00010552), (0.01759077, 0.99977326, -0.01199737), (-0.00010558, -0.01200248, -0.99992798)-79.06415, 2.18343, 248.01745
30generate(-0.80559238, 0.37244424, -0.46076392), (-0.23812949, 0.5085767, 0.82743657), (0.54250574, 0.7762927, -0.32101829)-13.94223, -112.46387, 185.96347
31generate(0.87201455, -0.26245396, 0.41316613), (0.24334786, -0.49993546, -0.83117603), (0.42470346, 0.82533578, -0.37207909)-56.53081, 111.40405, 187.67966
32generate(0.54367568, -0.77297321, 0.32699442), (0.7727755, 0.3090161, -0.55437523), (0.32746727, 0.55408976, 0.76534219)-59.27284, 98.71635, 42.53484
33generate(0.45919451, -0.84436478, -0.27602265), (0.83830364, 0.30907989, 0.44913087), (-0.29391969, -0.43762763, 0.84975958)12.11044, -23.14732, 6.62838
34generate(0.73532114, -0.37796793, -0.56253599), (0.34937462, -0.49983226, 0.79253095), (-0.58072176, -0.77929667, -0.23548888)58.96976, -85.77551, 129.58178
35generate(0.99045795, -0.01832726, -0.13659391), (-0.01832827, -0.99983123, 0.00125776), (-0.13658822, 0.00125764, -0.99062672)16.54714, -2.61819, 241.47762
36generate(-0.06017378, -0.07396069, -0.99544588), (0.99813832, -0.0145178, -0.05926001), (-0.01007236, -0.99715269, 0.07469158)81.46228, 45.94379, 113.49258
37generate(0.50799158, 0.76328993, -0.39916442), (0.83545904, -0.32382402, 0.44401116), (0.20965033, -0.55903531, -0.80220155)30.70907, -23.1747, 231.31579
38generate(0.42486739, 0.51362709, 0.7454374), (0.51362481, -0.81485181, 0.26870931), (0.74543628, 0.2687101, -0.61001558)-114.74941, -14.58858, 229.38986
39generate(-0.19467154, -0.47792364, 0.85655876), (0.47739958, -0.80901745, -0.34290436), (0.85684751, 0.34216751, 0.38565501)-153.89448, 59.83643, 110.37636
40generate(-0.49444348, -0.84107286, -0.21936628), (0.77684539, -0.31438384, -0.54560054), (0.38991751, -0.44017873, 0.80882731)-32.62898, 97.24749, 38.7479
41generate(-0.31859932, -0.47267426, -0.82163024), (-0.505276, 0.81806922, -0.2746953), (0.80199096, 0.32762625, -0.4994699)49.33865, 13.92647, 217.96781
42generate(0.31032694, 0.51961436, -0.79605217), (-0.46831327, 0.81229283, 0.34765798), (0.82727353, 0.26491368, 0.49541421)71.90209, -61.80125, 95.52722
43generate(0.54367671, 0.77277329, 0.32747066), (-0.77297745, 0.30901797, 0.55409361), (0.32699433, -0.55436856, 0.7653393)-57.98901, -99.88998, 41.55354
44generate(0.05896855, -0.06305452, 0.99626789), (-0.99823301, 0.00375338, 0.05932458), (-0.00747777, -0.99800027, -0.06272193)-160.82956, -47.70238, 130.63655
45generate(-0.47394734, -0.83278343, 0.28608447), (-0.8327844, 0.31836435, -0.45289514), (0.28608629, -0.45289749, -0.84441701)-94.49742, 22.64006, 239.66657
46generate(0.87201486, 0.24334716, 0.42470183), (-0.2624587, -0.49993147, 0.82534068), (0.41316802, -0.83116991, -0.37208339)-57.52205, -114.04227, 185.7849
47generate(0.4065735, -0.52621526, 0.74685534), (-0.52621851, -0.80313562, -0.27940886), (0.74685649, -0.27940757, -0.60343788)-116.55212, 12.27438, 228.15409
48generate(0.05897053, -0.99823053, -0.00748006), (-0.06305471, 0.00375124, -0.99800578), (0.99626487, 0.05932213, -0.06272178)-37.1566, 120.41391, 171.25241
49generate(0.30958142, -0.52038957, -0.79583848), (0.48695607, 0.8056389, -0.33737353), (0.81671924, -0.28309374, 0.50281365)70.94261, 60.93116, 93.71605
50generate(0.81207045, 0.24694763, -0.52873538), (0.36371764, 0.49434586, 0.78951655), (0.45634558, -0.83344809, 0.31161766)58.35607, -83.97073, 102.69762
51generate(-0.06017562, 0.9981358, -0.01006877), (-0.07395564, -0.01452096, -0.99715858), (-0.99544254, -0.05925749, 0.07469659)-39.81337, 119.86185, 75.33603
52generate(-0.30105446, 0.53450961, 0.7897281), (0.48249296, 0.79969857, -0.3573289), (-0.8225378, 0.27345864, -0.49864411)-148.93394, 63.22436, 153.56933
53generate(-0.8055954, -0.23812625, 0.54250779), (0.37244517, 0.50857697, 0.77629809), (-0.46076396, 0.82742863, -0.32101555)-138.89902, -81.97384, 146.32892
54generate(-0.87654002, -0.25201527, -0.41007963), (-0.2520167, -0.4855656, 0.83708841), (-0.41008018, 0.83708479, 0.36210562)-23.57654, -115.07377, 63.62079
55generate(-0.41584526, 0.51203669, -0.75159072), (-0.52790758, -0.8088579, -0.25896808), (-0.74052972, 0.28908263, 0.60666918)37.66176, 9.66754, 19.74477
56generate(-0.49323991, -0.7688087, 0.40699719), (0.84169034, -0.30361678, 0.44651319), (-0.21971644, 0.56280116, 0.7968567)-110.20051, -23.22101, 16.99322
57generate(-0.41584598, -0.5279087, -0.74053127), (0.51203882, -0.80885577, 0.28907979), (-0.75159222, -0.25896474, 0.60666778)35.38669, -17.17246, 18.83132
58generate(0.20294816, 0.46358349, -0.86249839), (0.46358699, -0.82134618, -0.33238592), (-0.86249524, -0.33238219, -0.38160197)75.84735, 57.97494, 136.9471
59generate(0.50799005, 0.83545936, 0.20965022), (0.76329363, -0.32382669, -0.55903946), (-0.39916129, 0.44400921, -0.80219734)-44.73379, 98.37003, 208.10857
60generate(0.07772215, 0.07379911, 0.99424164), (0.99697434, -0.00385232, -0.07765333), (-0.00190215, 0.99726295, -0.07386984)-159.71768, 48.18817, 133.973
61generate(0.99973361, -0.00041514, -0.02320947), (0.00041031, 0.99999739, -0.00048809), (0.02319826, 0.00048554, 0.99973175)210.61915, 0.10145, 249.81899
62generate(0.81363798, -0.34547746, 0.46759156), (-0.25816237, 0.5059309, 0.82303617), (-0.52091743, -0.79035799, 0.32245436)142.09004, -112.68802, 311.60882
63generate(0.48902205, -0.83631833, 0.24785366), (-0.78180491, -0.29423032, 0.54973598), (-0.38683299, -0.46260011, -0.79772315)156.07729, -100.19804, 456.12147
64generate(0.474494, -0.79461234, -0.37875286), (-0.84686112, -0.29469066, -0.44269707), (0.24015145, 0.53080892, -0.81275354)233.251, 20.31067, 483.64536
65generate(0.79013109, -0.27799577, -0.54627909), (-0.36342552, 0.50518605, -0.78275426), (0.49356469, 0.8170116, 0.29813468)266.95972, 82.29916, 356.14342
66generate(0.20604355, -0.49924083, -0.84161484), (-0.49102785, -0.79669283, 0.35237565), (-0.84642889, 0.34064889, -0.40928278)280.29494, -64.65779, 390.46801
67generate(0.74833872, 0.33109547, -0.57478122), (-0.37738887, -0.50007902, -0.77942187), (-0.54550439, 0.80017714, -0.24927184)269.37085, 80.46032, 382.92394
68generate(0.82402071, 0.34509398, 0.4493392), (0.24754217, 0.49410414, -0.83341613), (-0.50963202, 0.79797794, 0.32172267)145.36427, 112.736, 313.52574
69generate(0.3284996, -0.47659077, 0.81544679), (0.52013181, 0.81192931, 0.26501109), (-0.78838618, 0.33709054, 0.51460573)79.64807, -12.43464, 278.17936
70generate(-0.05343129, -0.99841837, 0.01759331), (0.06367043, 0.01417291, 0.99787072), (-0.9965381, 0.05444564, 0.06281952)163.03981, -122.07003, 325.7323
71generate(-0.75460899, -0.33963786, 0.5614444), (-0.35877683, -0.50284775, -0.78639892), (0.54941395, -0.79485088, 0.25758745)68.43234, 82.05931, 361.98062
72generate(-0.81963867, -0.33670001, -0.46349893), (0.26693525, 0.4913968, -0.8290195), (0.50689978, -0.80321166, -0.31289395)192.97699, 112.95536, 431.04333
73generate(-0.31952108, 0.49032092, -0.81086117), (0.53399842, 0.80007054, 0.27336797), (0.78278801, -0.3456514, -0.51746491)256.5548, -12.93295, 467.72301
74generate(0.05459827, 0.99851011, -0.0005995), (0.07334046, -0.00340314, 0.99730147), (0.99581047, -0.05450283, -0.0734153)171.3034, -121.63226, 421.32959
75generate(-0.21430083, 0.48556737, 0.84753197), (-0.47842499, -0.80865094, 0.34232952), (0.85157737, -0.33212339, 0.40559341)55.03733, -62.92381, 355.97719
76generate(-0.45116817, 0.83929384, 0.30337992), (0.84939437, 0.2995432, 0.43451136), (0.27381668, 0.45371645, -0.84803642)113.46269, -20.87917, 489.28563
77generate(-0.74233803, 0.351082, 0.57068859), (0.36861599, -0.49724867, 0.7854052), (0.55952204, 0.79339251, 0.23971143)68.37124, -84.10386, 365.97715
78generate(-0.99352168, 0.00090343, 0.11366831), (0.00026432, -0.99994436, 0.01031218), (0.113677, 0.01027356, 0.99346539)114.81276, -2.98121, 254.18302
79generate(-0.85759187, 0.272693, -0.43609442), (0.25338885, -0.5138355, -0.81961549), (-0.44757574, -0.81339663, 0.37156311)188.60665, 110.38003, 308.39893
80generate(-0.52239897, 0.79084676, -0.31884619), (0.77818008, 0.28929198, -0.55744598), (-0.34860397, -0.53933385, -0.76654761)187.77226, 99.31849, 453.70033
81generate(-0.29925296, -0.4991036, 0.81323452), (-0.47240176, 0.81799543, 0.3282043), (-0.82902595, -0.28594958, -0.48056937)55.07569, -59.52065, 399.45293
82generate(-0.54938154, -0.77986978, -0.29998151), (-0.76723311, 0.3286082, 0.55079137), (-0.33096441, 0.53275346, -0.77886623)183.00096, -99.21154, 456.85709
83generate(-0.07653417, 0.04003269, -0.99626745), (-0.99691794, 0.01415557, 0.07715005), (0.01718798, 0.99909592, 0.03883751)288.76776, -49.82737, 369.61939
84generate(0.46583016, 0.82752647, -0.31337979), (-0.84403963, 0.30920039, -0.43816344), (-0.26570356, 0.46860838, 0.84250305)226.20997, 20.38462, 258.29937
85generate(0.32818238, 0.49432191, 0.80495393), (-0.5198708, 0.80600074, -0.28300337), (-0.78869254, -0.32559341, 0.52149195)81.78033, 14.39384, 276.73751
86generate(-0.50223278, 0.83122727, -0.23838174), (-0.7692119, -0.30348935, 0.56232317), (0.39506999, 0.46577443, 0.79181733)178.62566, -101.26911, 290.71612
87generate(-0.48887171, 0.78942956, 0.37123098), (-0.84116658, -0.31379877, -0.44041596), (-0.23118682, -0.52757741, 0.8174435)103.5133, 20.23638, 261.90696
88generate(-0.79625152, 0.28648644, 0.53284008), (-0.35514934, 0.49166829, -0.79506394), (-0.48974855, -0.82230559, -0.28975534)70.87687, 84.14139, 388.74032
89generate(-0.99958377, 0.01744821, 0.02310729), (0.01718053, 0.99978373, -0.01150932), (-0.02329168, -0.01110579, -0.99966803)125.8188, 2.13137, 495.93681
90generate(-0.81787019, 0.35411656, -0.45353401), (-0.23872421, 0.50834928, 0.82740204), (0.52355625, 0.78497145, -0.33121935)192.41122, -112.45861, 435.35453
91generate(0.86182408, -0.2813321, 0.42203687), (0.24349772, -0.50044468, -0.83082272), (0.44493691, 0.81878317, -0.36279811)149.70121, 111.3904, 436.19097
92generate(0.5356097, -0.78575571, 0.30937427), (0.77283673, 0.30842769, -0.55461318), (0.34036697, 0.53615953, 0.77245342)150.33391, 98.77246, 291.01532
93generate(0.46554588, -0.83411105, -0.29585804), (0.83863333, 0.30894623, 0.44860168), (-0.28278131, -0.45694796, 0.84334646)222.58214, -23.04408, 256.71529
94generate(0.74845846, -0.35957268, -0.55724958), (0.34995887, -0.49960567, 0.792413), (-0.56333818, -0.78809851, -0.24809077)266.60129, -85.71289, 380.69235
95generate(0.99337185, -0.01793649, -0.11356612), (-0.01785516, -0.99983676, 0.00168523), (-0.11358358, 0.00034669, -0.99352911)221.5584, -2.62781, 491.61443
96generate(-0.06033834, -0.05079157, -0.99688965), (0.99811594, -0.0140614, -0.05970475), (-0.01098095, -0.99860801, 0.05155015)289.40656, 46.02315, 365.19321
97generate(0.50264355, 0.77619594, -0.38062374), (0.83556296, -0.32323712, 0.44423777), (0.22178426, -0.54133558, -0.81103069)235.96095, -23.1735, 481.77387
98generate(0.40723981, 0.50759192, 0.7592854), (0.51343395, -0.81477009, 0.26931222), (0.75534188, 0.28015764, -0.59242863)90.58235, -14.64614, 476.47824
99generate(-0.21470485, -0.485402, 0.84752208), (0.47690023, -0.80937845, -0.34274024), (0.85233342, 0.33059592, 0.40525574)54.17906, 59.8207, 356.6247
100generate(-0.50368404, -0.83050197, -0.23785379), (0.77645017, -0.31451327, -0.54608391), (0.37871987, -0.45972472, 0.80325651)177.05917, 97.31639, 287.84677
101generate(-0.33691847, -0.48049199, -0.8097049), (-0.50579685, 0.81771322, -0.27478792), (0.79413955, 0.31697034, -0.51852968)254.87996, 13.94174, 468.87966
102generate(0.29123811, 0.51299022, -0.80748274), (-0.4685885, 0.81237461, 0.34708863), (0.83402328, 0.27729116, 0.47698309)280.31061, -61.71677, 346.95858
103generate(0.53626341, 0.78530574, 0.30939028), (-0.77291196, 0.30960482, 0.55385297), (0.33914366, -0.53614282, 0.77299978)151.72263, -99.83234, 289.96763
104generate(0.0595408, -0.03987622, 0.99743361), (-0.99820255, 0.00421462, 0.05976382), (-0.00659248, -0.99919349, -0.03956462)46.82023, -47.73056, 376.66637
105generate(-0.48011527, -0.82218224, 0.30579475), (-0.83311633, 0.31824288, -0.45236441), (0.27461045, -0.47194055, -0.83777373)110.57497, 22.58569, 487.24008
106generate(0.8623021, 0.26278089, 0.43288191), (-0.26230188, -0.49942462, 0.8256944), (0.43315898, -0.82554446, -0.3617305)148.8478, -114.05481, 434.16426
107generate(0.38934951, -0.51925677, 0.76077784), (-0.52641485, -0.80321306, -0.27880716), (0.75583245, -0.29192985, -0.58608592)88.79765, 12.21662, 475.21402
108generate(0.03585822, -0.999343, -0.00560801), (-0.06351662, 0.00331269, -0.99797563), (0.99733502, 0.03615082, -0.06336304)169.44779, 120.41622, 420.22195
109generate(0.29034118, -0.51401494, -0.80715646), (0.48668319, 0.80556145, -0.33794462), (0.82391834, -0.29469876, 0.4840529)279.34247, 61.01582, 345.18523
110generate(0.80111159, 0.26602051, -0.53615477), (0.36382715, 0.4948527, 0.78914544), (0.47523838, -0.82725574, 0.29965167)266.61098, -83.89524, 353.80205
111generate(-0.0370252, 0.99925126, -0.01138579), (-0.07349426, -0.01408246, -0.99719656), (-0.99660739, -0.03609363, 0.07395882)169.01812, 119.90987, 324.2694
112generate(-0.2820839, 0.5276884, 0.80123933), (0.48276965, 0.79978232, -0.35676055), (-0.82906683, 0.28617326, -0.48036352)58.13438, 63.18958, 399.92281
113generate(-0.79484132, -0.25747812, 0.5494916), (0.37233855, 0.50807407, 0.77667534), (-0.47914794, 0.82192949, -0.30796728)68.39495, -82.00059, 392.84663
114generate(-0.86668415, -0.27117485, -0.41872218), (-0.25217554, -0.48607631, 0.83674122), (-0.43042674, 0.83077817, 0.35290179)185.62006, -115.01275, 312.8199
115generate(-0.39832802, 0.50552662, -0.76536347), (-0.52771538, -0.80878679, -0.2595719), (-0.75023428, 0.30049071, 0.5889451)247.8086, 9.77478, 270.43684
116generate(-0.48835844, -0.78154016, 0.38820878), (0.841593, -0.30420614, 0.44629008), (-0.23069114, 0.54466775, 0.80630137)100.06324, -23.17301, 264.23992
117generate(-0.39850372, -0.52142185, -0.75453444), (0.5122337, -0.80894387, 0.28847907), (-0.7607889, -0.27153456, 0.58946636)245.56648, -17.06563, 269.45783
118generate(0.2227197, 0.47151538, -0.85327386), (0.46409003, -0.82099159, -0.33255269), (-0.85733074, -0.32193749, -0.40166946)283.24376, 58.04051, 388.51703
119generate(0.51680217, 0.82506602, 0.22844503), (0.7636949, -0.32369976, -0.55856043), (-0.38689912, 0.46311408, -0.79739007)161.02636, 98.35129, 456.88175
120generate(0.07733171, 0.05063511, 0.99572349), (0.99700456, -0.00430879, -0.07720912), (0.00038545, 0.99870558, -0.05082305)47.81457, 48.15857, 380.07427

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Components

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COXSACKIEVIRUS COAT ... , 4 types, 4 molecules 1234

#1: Protein COXSACKIEVIRUS COAT PROTEIN


Mass: 31380.068 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: ISOLATED FROM HUMAN HELA CELLS / Source: (natural) Human coxsackievirus B3 / Genus: Enterovirus / Species: Human enterovirus B / Strain: GAUNTT / References: UniProt: Q66282
#2: Protein COXSACKIEVIRUS COAT PROTEIN


Mass: 28877.592 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: ISOLATED FROM HUMAN HELA CELLS / Source: (natural) Human coxsackievirus B3 / Genus: Enterovirus / Species: Human enterovirus B / Strain: GAUNTT / References: UniProt: Q66282
#3: Protein COXSACKIEVIRUS COAT PROTEIN


Mass: 26198.684 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: ISOLATED FROM HUMAN HELA CELLS / Source: (natural) Human coxsackievirus B3 / Genus: Enterovirus / Species: Human enterovirus B / Strain: GAUNTT / References: UniProt: Q66282
#4: Protein COXSACKIEVIRUS COAT PROTEIN


Mass: 7379.065 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: ISOLATED FROM HUMAN HELA CELLS / Source: (natural) Human coxsackievirus B3 / Genus: Enterovirus / Species: Human enterovirus B / Strain: GAUNTT / References: UniProt: Q66282

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Non-polymers , 2 types, 2 molecules

#5: Chemical ChemComp-PLM / PALMITIC ACID


Mass: 256.424 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C16H32O2
#6: Chemical ChemComp-MYR / MYRISTIC ACID


Mass: 228.371 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C14H28O2

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION

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Sample preparation

Crystal
*PLUS
Density % sol: 49 %
Crystal grow
*PLUS
Method: vapor diffusion, sitting drop / pH: 6
Components of the solutions
*PLUS
IDConc.Common nameCrystal-IDSol-IDChemical formula
15 mg/mlvirus1drop
250 mMMES1drop
30.75 M1dropNaCl
42 Mammonium sulfate1reservoir

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Data collection

RadiationScattering type: x-ray
Radiation wavelengthRelative weight: 1
ReflectionResolution: 3→30 Å / Num. obs: 185662 / % possible obs: 55 % / Observed criterion σ(F): 3
Reflection
*PLUS
Num. all: 3345935 / Num. obs: 1856628 / Num. measured all: 3113647 / Rmerge(I) obs: 0.128
Reflection shell
*PLUS
Highest resolution: 3 Å / Lowest resolution: 3.5 Å / % possible obs: 44 %

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Processing

Software
NameClassification
X-PLORmodel building
X-PLORrefinement
X-PLORphasing
RefinementResolution: 3.5→10 Å / σ(F): 3
RfactorNum. reflection% reflection
Rwork0.264 --
obs0.264 125208 55 %
Displacement parametersBiso mean: 18 Å2
Refinement stepCycle: LAST / Resolution: 3.5→10 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6376 0 33 0 6409
Refine LS restraints
Refine-IDTypeDev ideal
X-RAY DIFFRACTIONx_bond_d0.013
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_deg1.8
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
Refinement
*PLUS
Num. reflection obs: 1252081
Solvent computation
*PLUS
Displacement parameters
*PLUS

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