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- PDB-1bev: BOVINE ENTEROVIRUS VG-5-27 -

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Basic information

Entry
Database: PDB / ID: 1bev
TitleBOVINE ENTEROVIRUS VG-5-27
Components(BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO ...) x 4
KeywordsVIRUS / COAT PROTEIN / BOVINE ENTEROVIRUS VG-5-27 / PICORNAVIRUS / 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 / picornain 2A / symbiont-mediated suppression of host mRNA export from nucleus / ribonucleoside triphosphate phosphatase 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 / picornain 2A / symbiont-mediated suppression of host mRNA export from nucleus / ribonucleoside triphosphate phosphatase 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 / protein complex oligomerization / monoatomic ion channel activity / RNA helicase activity / DNA replication / induction by virus of host autophagy / RNA-directed RNA polymerase / symbiont-mediated suppression of host gene expression / viral RNA genome replication / cysteine-type endopeptidase activity / RNA-dependent RNA polymerase activity / DNA-templated transcription / host cell nucleus / virion attachment to host cell / structural molecule activity / proteolysis / RNA binding / ATP binding / membrane / metal ion binding
Similarity search - Function
Picornavirus coat protein VP4 / Rhinovirus 14, subunit 4 / Helicase/polymerase/peptidase polyprotein, Calicivirus-type / Jelly Rolls - #20 / 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 coat protein VP4 / Rhinovirus 14, subunit 4 / Helicase/polymerase/peptidase polyprotein, Calicivirus-type / Jelly Rolls - #20 / 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) / Picornavirales 3C/3C-like protease domain / Picornavirales 3C/3C-like protease domain profile. / Peptidase C3A/C3B, picornaviral / 3C cysteine protease (picornain 3C) / 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. / 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 / Genome polyprotein
Similarity search - Component
Biological speciesBovine enterovirus
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 3 Å
AuthorsSmyth, M. / Tate, J. / Lyons, C. / Hoey, E. / Martin, S. / Stuart, D.
Citation
Journal: Nat.Struct.Biol. / Year: 1995
Title: Implications for viral uncoating from the structure of bovine enterovirus.
Authors: Smyth, M. / Tate, J. / Hoey, E. / Lyons, C. / Martin, S. / Stuart, D.
#1: Journal: J.Mol.Biol. / Year: 1993
Title: Preliminary Crystallographic Analysis of Bovine Enterovirus
Authors: Smyth, M. / Fry, E. / Stuart, D. / Lyons, C. / Hoey, E. / Martin, S.J.
#2: Journal: J.Gen.Virol. / Year: 1990
Title: Chemically Synthesized Peptides Elicit Neutralizing Antibody to Bovine Enterovirus
Authors: Smyth, M.S. / Hoey, E.M. / Trudgett, A. / Martin, S.J. / Brown, F.
#3: Journal: J.Gen.Virol. / Year: 1988
Title: The Complete Nucleotide Sequence of a Bovine Enterovirus
Authors: Earle, J.A. / Skuce, R.A. / Fleming, C.S. / Hoey, E.M. / Martin, S.J.
History
DepositionApr 3, 1996Processing site: BNL
Revision 1.0Sep 16, 1998Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 7, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_struct_oper_list / 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_database_status.process_site / _pdbx_struct_oper_list.name / _pdbx_struct_oper_list.symmetry_operation / _pdbx_struct_oper_list.type / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
1: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
2: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
3: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
4: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
hetero molecules


Theoretical massNumber of molelcules
Total (without water)92,9247
Polymers92,5044
Non-polymers4203
Water2,342130
1
1: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
2: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
3: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
4: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
hetero molecules
x 60


Theoretical massNumber of molelcules
Total (without water)5,575,445420
Polymers5,550,215240
Non-polymers25,230180
Water3,243180
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: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
2: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
3: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
4: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
hetero molecules
x 5


  • icosahedral pentamer
  • 465 kDa, 20 polymers
Theoretical massNumber of molelcules
Total (without water)464,62035
Polymers462,51820
Non-polymers2,10215
Water27015
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
point symmetry operation4
4
1: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
2: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
3: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
4: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
hetero molecules
x 6


  • icosahedral 23 hexamer
  • 558 kDa, 24 polymers
Theoretical massNumber of molelcules
Total (without water)557,54542
Polymers555,02224
Non-polymers2,52318
Water32418
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: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
2: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
3: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
4: BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4
hetero molecules
x 60


  • crystal asymmetric unit, crystal frame
  • 5.58 MDa, 240 polymers
Theoretical massNumber of molelcules
Total (without water)5,575,445420
Polymers5,550,215240
Non-polymers25,230180
Water3,243180
TypeNameSymmetry operationNumber
identity operation1_555x,y,z2
point symmetry operation59
Unit cell
Length a, b, c (Å)388.200, 392.600, 360.700
Angle α, β, γ (deg.)90.00, 112.70, 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(0.55149312, -0.69102, 0.46727583), (0.81438692, 0.32470864, -0.48097634), (0.18063577, 0.64579847, 0.74183223)17.19674, -52.10501, -2.95034
3generate(-0.17420625, -0.30370692, 0.93670395), (0.62668572, -0.76793573, -0.1324376), (0.75955065, 0.56394753, 0.324108)61.30759, -53.60011, -35.68199
4generate(-0.17420625, 0.62668572, 0.75955065), (-0.30370692, -0.76793573, 0.56394753), (0.93670395, -0.1324376, 0.324108)71.37287, -2.41913, -52.96092
5generate(0.55149312, 0.81438692, 0.18063577), (-0.69102, 0.32470864, 0.64579847), (0.46727583, -0.48097634, 0.74183223)33.48269, 30.70756, -30.90823
6generate(-0.38010991, -0.43591294, 0.81577961), (-0.43591294, -0.69346164, -0.57366442), (0.81577961, -0.57366442, 0.07357154)88.26123, 75.1111, -26.93174
7generate(-0.41727082, 0.64794807, 0.63721924), (-0.90877339, -0.29442003, -0.29571569), (-0.00399831, -0.70248142, 0.71169085)102.031, 105.44015, 16.77073
8generate(0.41266303, 0.91025203, -0.03391849), (-0.79437093, 0.34140711, -0.50241021), (-0.4457399, 0.23426998, 0.86396384)59.21395, 106.02543, 51.20504
9generate(0.96275128, -0.01149622, -0.27014406), (-0.25080587, 0.33532829, -0.90810316), (0.1010267, 0.9420312, 0.31995442)18.98179, 76.05811, 28.78414
10generate(0.47279066, -0.84347193, 0.25499824), (-0.02926665, -0.30425577, -0.95214069), (0.88068863, 0.44270028, -0.16853488)36.934, 56.952, -19.50705
11generate(-0.89787379, 0.41583, 0.14459623), (0.41583, 0.69314604, 0.5887563), (0.14459623, 0.5887563, -0.79527225)176.89653, -74.00978, 87.89797
12generate(-0.13040546, 0.84885236, -0.51229297), (0.9001669, 0.31794158, 0.29767886), (0.41556464, -0.42233023, -0.80557011)139.3626, -104.71227, 62.05373
13generate(0.52683811, 0.03490446, -0.84924866), (0.80913477, -0.3265544, 0.48853163), (-0.26027395, -0.9445337, -0.20028371)94.40203, -106.67694, 93.58231
14generate(0.16556864, -0.90116538, -0.40060953), (0.26853691, -0.34967036, 0.89756257), (-0.94893359, -0.25618666, 0.18410172)104.14881, -77.18868, 138.91229
15generate(-0.71495174, -0.66574044, 0.21362039), (0.0254612, 0.28053917, 0.95950482), (-0.69871005, 0.69143867, -0.18362142)155.13321, -56.99927, 135.39917
16generate(0.2779837, 0.02008295, -0.96037583), (0.02008295, -0.99968441, -0.01509188), (-0.96037583, -0.01509188, -0.27829929)124.9883, -1.10138, 166.30041
17generate(-0.00381684, -0.80578043, -0.5922021), (-0.80578043, -0.3482302, 0.47901318), (-0.5922021, 0.47901318, -0.64795296)131.55573, 51.37706, 151.39252
18generate(-0.76529489, -0.64144957, -0.0535368), (-0.64144957, 0.75308302, 0.14631618), (-0.0535368, 0.14631618, -0.98778813)175.22249, 54.25156, 118.16128
19generate(-0.95411366, 0.28597587, -0.08879706), (0.28597587, 0.7822778, -0.55340694), (-0.08879706, -0.55340694, -0.82816414)195.6426, 3.54964, 112.53113
20generate(-0.30933204, 0.69482545, -0.64925441), (0.69482545, -0.30099204, -0.6531626), (-0.64925441, -0.6531626, -0.38967593)164.59616, -30.66036, 142.28275
21generate(0.75146991, 0.20212977, 0.62804182), (0.65402176, -0.3535731, -0.66876124), (0.08688213, 0.91330697, -0.39789681)-11.44248, -25.79425, 70.94966
22generate(0.69248915, -0.048059, 0.71982575), (-0.048059, -0.99863534, -0.02043978), (0.71982575, -0.02043978, -0.6938538)-10.90456, 5.84879, 26.02982
23generate(0.47279066, -0.02926665, 0.88068863), (-0.84347193, -0.30425577, 0.44270028), (0.25499824, -0.95214069, -0.16853488)1.38438, 57.11654, 41.52059
24generate(0.39599029, 0.23253644, 0.88832342), (-0.63298338, 0.76995665, 0.08061511), (-0.66522457, -0.59421676, 0.45208705)8.44144, 57.15871, 96.01426
25generate(0.56822354, 0.37554729, 0.73217911), (0.29251862, 0.73947687, -0.60630588), (-0.76912604, 0.55869329, 0.31033359)0.51401, 5.91702, 114.20243
26generate(0.13859157, -0.82802995, 0.54328517), (-0.64003484, 0.34373735, 0.68716812), (-0.75574319, -0.44295715, -0.48232892)53.15112, 23.38416, 157.93353
27generate(-0.49976773, -0.01378529, 0.86604976), (0.05108753, 0.99766349, 0.04536111), (-0.86465154, 0.06691437, -0.49789576)97.07607, -7.56017, 169.44053
28generate(-0.13040546, 0.9001669, 0.41556464), (0.84885236, 0.31794158, -0.42233023), (-0.51229297, 0.29767886, -0.80557011)86.64483, -58.79872, 152.55374
29generate(0.73623228, 0.65077576, -0.18561506), (0.65077576, -0.75607579, -0.06957236), (-0.18561506, -0.06957236, -0.98015649)36.27302, -59.52156, 130.61012
30generate(0.90248158, -0.41730864, -0.10667943), (-0.26940714, -0.74013313, 0.61613533), (-0.33607557, -0.52731059, -0.78038244)15.57277, -8.72975, 133.93501
31generate(-0.49986104, 0.82235276, -0.27179934), (-0.83095565, -0.36685332, 0.41824795), (0.24423686, 0.43491905, 0.86671435)161.73397, 57.28505, -16.24916
32generate(0.34494672, 0.43691142, -0.83073472), (-0.68147633, 0.72519042, 0.09843208), (0.64544695, 0.53217222, 0.54789685)111.09119, 60.87624, -37.26765
33generate(0.39599029, -0.63298338, -0.66522457), (0.23253644, 0.76995665, -0.59421676), (0.88832342, 0.08061511, 0.45208705)96.70883, 11.08061, -55.51339
34generate(-0.41727082, -0.90877339, -0.00399831), (0.64794807, -0.29442003, -0.70248142), (0.63721924, -0.29571569, 0.71169085)138.46281, -23.28597, -45.77139
35generate(-0.97093739, -0.00932619, 0.23915186), (-0.00932619, -0.99700723, -0.07674382), (0.23915186, -0.07674382, 0.96794461)178.65056, 5.26994, -21.50476
36generate(-0.39020044, -0.19645258, -0.89952765), (0.81696873, 0.37668906, -0.43665483), (0.4246242, -0.90526887, 0.01351138)186.70346, -54.87503, 14.63261
37generate(-0.53766814, -0.37506713, -0.75514079), (0.6784478, -0.72421856, -0.12335341), (-0.50062117, -0.57864681, 0.64385271)192.88337, -59.16494, 69.06393
38generate(-0.73837548, -0.23791687, -0.63102869), (-0.23791687, -0.78364246, 0.57384672), (-0.63102869, 0.57384672, 0.52201794)205.40803, -9.3985, 88.70569
39generate(-0.71495174, 0.0254612, -0.69871005), (-0.66574044, 0.28053917, 0.69143867), (0.21362039, 0.95950482, -0.18362142)206.96879, 25.64876, 46.41364
40generate(-0.49976773, 0.05108753, -0.86465154), (-0.01378529, 0.99766349, 0.06691437), (0.86604976, 0.04536111, -0.49789576)195.40873, -2.45728, 0.63396
41generate(0.75146991, 0.65402176, 0.08688213), (0.20212977, -0.3535731, 0.91330697), (0.62804182, -0.66876124, -0.39789681)19.30442, -71.60611, 18.1668
42generate(0.96275128, -0.25080587, 0.1010267), (-0.01149622, 0.33532829, 0.9420312), (-0.27014406, -0.90810316, 0.31995442)-2.10689, -52.40178, 64.98681
43generate(0.34494672, -0.68147633, 0.64544695), (0.43691142, 0.72519042, 0.53217222), (-0.83073472, 0.09843208, 0.54789685)27.21946, -72.85107, 106.71396
44generate(-0.24815886, -0.04281768, 0.96777261), (0.92766857, 0.27723707, 0.25014122), (-0.27901291, 0.95984699, -0.02907822)66.75546, -104.69376, 85.68275
45generate(0.00308629, 0.78256553, 0.62256057), (0.78256553, -0.38947544, 0.48569545), (0.62256057, 0.48569545, -0.61361085)61.86369, -103.92433, 30.9576
46generate(-0.49986104, -0.83095565, 0.24423686), (0.82235276, -0.36685332, 0.43491905), (-0.27179934, 0.41824795, 0.86671435)132.41448, -104.92009, 34.08321
47generate(-0.90827142, 0.23332329, 0.34727981), (0.23332329, -0.40651258, 0.88335031), (0.34727981, 0.88335031, 0.31478401)166.39487, -72.94658, 5.05924
48generate(-0.24815886, 0.92766857, -0.27901291), (-0.04281768, 0.27723707, 0.95984699), (0.96777261, 0.25014122, -0.02907822)137.59366, -50.35902, -35.92438
49generate(0.56822354, 0.29251862, -0.76912604), (0.37554729, 0.73947687, 0.55869329), (0.73217911, -0.60630588, 0.31033359)85.81315, -68.37267, -32.22967
50generate(0.41266303, -0.79437093, -0.4457399), (0.91025203, 0.34140711, 0.23426998), (-0.03391849, -0.50241021, 0.86396384)82.61224, -102.09326, 11.0374
51generate(-0.39020044, 0.81696873, 0.4246242), (-0.19645258, 0.37668906, -0.90526887), (-0.89952765, -0.43665483, 0.01351138)111.46959, 70.59564, 143.78577
52generate(0.52683811, 0.80913477, -0.26027395), (0.03490446, -0.3265544, -0.9445337), (-0.84924866, 0.48853163, -0.20028371)60.93847, 50.26077, 151.02887
53generate(0.90248158, -0.26940714, -0.33607557), (-0.41730864, -0.74013313, -0.52731059), (-0.10667943, 0.61613533, -0.78038244)28.60629, 70.66283, 111.56053
54generate(0.21760346, -0.92814873, 0.3019746), (-0.92814873, -0.29249538, -0.2301877), (0.3019746, -0.2301877, -0.92510808)59.15503, 103.60687, 79.92466
55generate(-0.58131796, -0.25673152, 0.77211291), (-0.79165219, 0.39773869, -0.46377877), (-0.18803255, -0.88084781, -0.43445472)110.36737, 103.56535, 99.84095
56generate(0.13859157, -0.64003484, -0.75574319), (-0.82802995, 0.34373735, -0.44295715), (0.54328517, 0.68716812, -0.48232892)126.95757, 105.93049, 31.23085
57generate(-0.58131796, -0.79165219, -0.18803255), (-0.25673152, 0.39773869, -0.88084781), (0.77211291, -0.46377877, -0.43445472)164.91961, 75.08752, 6.19171
58generate(-0.99926945, 0.0232149, -0.03035847), (0.0232149, -0.26229436, -0.96470863), (-0.03035847, -0.96470863, 0.26156381)196.72665, 52.5472, 44.91652
59generate(-0.53766814, 0.6784478, -0.50062117), (-0.37506713, -0.72421856, -0.57864681), (-0.75514079, -0.12335341, 0.64385271)178.42243, 69.45949, 93.8889
60generate(0.16556864, 0.26853691, -0.94893359), (-0.90116538, -0.34967036, -0.25618666), (-0.40060953, 0.89756257, 0.18410172)135.30277, 102.45218, 85.43069

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Components

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BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO ... , 4 types, 4 molecules 1234

#1: Protein BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4


Mass: 31238.873 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bovine enterovirus (STRAIN VG-5-27) / Genus: Enterovirus / Species: Bovine enterovirus / Strain: VG-5-27 / Organ: KIDNEY / Plasmid: PBEV / Cell line (production host): BHK CELLS / Production host: Mesocricetus auratus (golden hamster) / References: UniProt: P12915
#2: Protein BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4


Mass: 27325.604 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bovine enterovirus (STRAIN VG-5-27) / Genus: Enterovirus / Species: Bovine enterovirus / Strain: VG-5-27 / Organ: KIDNEY / Plasmid: PBEV / Cell line (production host): BHK CELLS / Production host: Mesocricetus auratus (golden hamster) / References: UniProt: P12915
#3: Protein BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4


Mass: 26627.221 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bovine enterovirus (STRAIN VG-5-27) / Genus: Enterovirus / Species: Bovine enterovirus / Strain: VG-5-27 / Organ: KIDNEY / Plasmid: PBEV / Cell line (production host): BHK CELLS / Production host: Mesocricetus auratus (golden hamster) / References: UniProt: P12915
#4: Protein BOVINE ENTEROVIRUS COAT PROTEINS VP1 TO VP4


Mass: 7311.890 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bovine enterovirus (STRAIN VG-5-27) / Genus: Enterovirus / Species: Bovine enterovirus / Strain: VG-5-27 / Organ: KIDNEY / Plasmid: PBEV / Cell line (production host): BHK CELLS / Production host: Mesocricetus auratus (golden hamster) / References: UniProt: P12915

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Non-polymers , 3 types, 133 molecules

#5: Chemical ChemComp-SO4 / SULFATE ION / Sulfate


Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO4
#6: Chemical ChemComp-MYR / MYRISTIC ACID / Myristic acid


Mass: 228.371 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C14H28O2
#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 130 / Source method: isolated from a natural source / Formula: H2O

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Details

Compound detailsRESIDUE GLY 4 1 IS MYRISTOYLATED.

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION

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Sample preparation

CrystalDensity % sol: 60 %
Crystal grow
*PLUS
Method: other / Details: Smyth, M., (1993) J. Mol. Biol., 231, 930.

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Data collection

Diffraction sourceSource: SYNCHROTRON / Site: SRS / Beamline: PX9.6 / Wavelength: 0.87, 0.91, 0.95, 0.99
DetectorType: MARRESEARCH / Detector: IMAGE PLATE / Date: Oct 1, 1990
RadiationMonochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
IDWavelength (Å)Relative weight
10.871
20.911
30.951
40.991
ReflectionResolution: 3→25 Å / Num. obs: 840070 / % possible obs: 42.5 % / Redundancy: 1.57 % / Rmerge(I) obs: 0.161

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Processing

Software
NameClassification
X-PLORmodel building
X-PLORrefinement
DENZOdata reduction
X-PLORphasing
RefinementResolution: 3→25 Å / σ(F): 0
RfactorNum. reflection% reflection
Rwork0.225 --
obs0.225 840070 42.5 %
Displacement parametersBiso mean: 20.5 Å2
Refinement stepCycle: LAST / Resolution: 3→25 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6316 0 26 130 6472
Refine LS restraints
Refine-IDTypeDev ideal
X-RAY DIFFRACTIONx_bond_d0.01
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_deg1.7
X-RAY DIFFRACTIONx_angle_deg_na
X-RAY DIFFRACTIONx_angle_deg_prot
X-RAY DIFFRACTIONx_dihedral_angle_d27.22
X-RAY DIFFRACTIONx_dihedral_angle_d_na
X-RAY DIFFRACTIONx_dihedral_angle_d_prot
X-RAY DIFFRACTIONx_improper_angle_d1.423
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
Rfactor Rwork: 0.231
Solvent computation
*PLUS
Displacement parameters
*PLUS
Refine LS restraints
*PLUS
Refine-IDTypeDev ideal
X-RAY DIFFRACTIONx_bond_d0.01
X-RAY DIFFRACTIONx_dihedral_angle_d
X-RAY DIFFRACTIONx_dihedral_angle_deg27.22
X-RAY DIFFRACTIONx_improper_angle_d
X-RAY DIFFRACTIONx_improper_angle_deg1.423

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