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- PDB-3pto: Crystal Structure of an empty Vesicular Stomatitis Virus Nucleoca... -

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Basic information

Entry
Database: PDB / ID: 3pto
TitleCrystal Structure of an empty Vesicular Stomatitis Virus Nucleocapsid Protein Complex
ComponentsNucleoprotein
KeywordsVIRAL PROTEIN / nucleocapsid
Function / homology
Function and homology information


RNA replication / helical viral capsid / viral transcription / viral nucleocapsid / host cell cytoplasm / ribonucleoprotein complex / RNA binding
Similarity search - Function
Rhabdovirus nucleoprotein-like fold / Rhabdovirus nucleocapsid protein like domain / Rhabdovirus nucleoprotein-like / Nucleoprotein / Rhabdovirus nucleocapsid / Rhabdovirus nucleocapsid, N-terminal / Rhabdovirus nucleocapsid, C-terminal / Rhabdovirus nucleoprotein-like / Rhabdovirus nucleocapsid protein / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
URANYL (VI) ION / Nucleoprotein
Similarity search - Component
Biological speciesVesicular stomatitis Indiana virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.008 Å
AuthorsLuo, M. / Green, T.J. / Rowse, M.
CitationJournal: J.Virol. / Year: 2011
Title: Access to RNA Encapsidated in the Nucleocapsid of Vesicular Stomatitis Virus.
Authors: Green, T.J. / Rowse, M. / Tsao, J. / Kang, J. / Ge, P. / Zhou, Z.H. / Luo, M.
History
DepositionDec 3, 2010Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 12, 2011Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Feb 21, 2024Group: Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / struct_conn / 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.pdbx_dist_value / _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_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

Downloads & links

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Assembly

Deposited unit
A: Nucleoprotein
B: Nucleoprotein
C: Nucleoprotein
D: Nucleoprotein
E: Nucleoprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)240,71420
Polymers236,6645
Non-polymers4,05015
Water00
1
A: Nucleoprotein
B: Nucleoprotein
C: Nucleoprotein
D: Nucleoprotein
E: Nucleoprotein
hetero molecules

A: Nucleoprotein
B: Nucleoprotein
C: Nucleoprotein
D: Nucleoprotein
E: Nucleoprotein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)481,42840
Polymers473,32810
Non-polymers8,10130
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_555-x,-y,z1
Buried area59010 Å2
ΔGint-384 kcal/mol
Surface area178140 Å2
MethodPISA
Unit cell
Length a, b, c (Å)165.643, 234.062, 75.975
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number18
Space group name H-MP21212
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
31C
41D
51E

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection detailsAuth asym-IDAuth seq-ID
111chain A and (resseq 3:358 or resseq 365:422 )A3 - 358
121chain A and (resseq 3:358 or resseq 365:422 )A365 - 422
211chain B and (resseq 3:358 or resseq 365:422 )B3 - 358
221chain B and (resseq 3:358 or resseq 365:422 )B365 - 422
311chain C and (resseq 3:358 or resseq 365:422 )C3 - 358
321chain C and (resseq 3:358 or resseq 365:422 )C365 - 422
411chain D and (resseq 3:358 or resseq 365:422 )D3 - 358
421chain D and (resseq 3:358 or resseq 365:422 )D365 - 422
511chain E and (resseq 3:358 or resseq 365:422 )E3 - 358
521chain E and (resseq 3:358 or resseq 365:422 )E365 - 422

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Components

#1: Protein
Nucleoprotein / NP / Nucleocapsid protein / Protein N


Mass: 47332.750 Da / Num. of mol.: 5
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Vesicular stomatitis Indiana virus / Gene: N / Plasmid: pET16b / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P03521
#2: Chemical
ChemComp-IUM / URANYL (VI) ION


Mass: 270.028 Da / Num. of mol.: 15 / Source method: obtained synthetically / Formula: O2U
Nonpolymer detailsThe IUM REPRESENT URNAYL (IV) IONS [UO2]2+ EVEN THOUGH THE OXYGEN ATOMS COULD NOT BE ACCURATELY ...The IUM REPRESENT URNAYL (IV) IONS [UO2]2+ EVEN THOUGH THE OXYGEN ATOMS COULD NOT BE ACCURATELY PLACED DUE TO LOW RESOLUTION OF THE STRUCTURE.

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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: 3.11 Å3/Da / Density % sol: 60.47 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 4.5
Details: 5.5 % PEG 3350, 200 mM sodium chloride, 100mM sodium acetate, pH 4.5, vapor diffusion, hanging drop, temperature 293.0K

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Data collection

DiffractionMean temperature: 293 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL9-2 / Wavelength: 0.97946 Å
DetectorType: MAR 325 CCD / Date: Jun 5, 2009
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97946 Å / Relative weight: 1
ReflectionResolution: 3→50 Å / Num. all: 51615 / Num. obs: 51615 / % possible obs: 86.7 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 2 / Rmerge(I) obs: 0.071
Reflection shellResolution: 3→3.11 Å / Rmerge(I) obs: 0.32 / Mean I/σ(I) obs: 2.4 / % possible all: 39.4

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Processing

Software
NameVersionClassificationNB
SCALEPACKdata scaling
PHENIX1.6.1_357refinement
PDB_EXTRACT3.1data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.008→38.763 Å / Occupancy max: 1 / Occupancy min: 1 / SU ML: 0.41 / σ(F): 0.1 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2907 1892 3.85 %RANDOM
Rwork0.2579 ---
all0.2592 49082 --
obs0.2592 49082 82.33 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 58.204 Å2 / ksol: 0.302 e/Å3
Displacement parametersBiso max: 232.58 Å2 / Biso mean: 100.4935 Å2 / Biso min: 57 Å2
Baniso -1Baniso -2Baniso -3
1-29.803 Å2-0 Å2-0 Å2
2---1.5395 Å20 Å2
3----28.2635 Å2
Refinement stepCycle: LAST / Resolution: 3.008→38.763 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms16452 0 15 0 16467
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01116827
X-RAY DIFFRACTIONf_angle_d1.37522782
X-RAY DIFFRACTIONf_chiral_restr0.0972479
X-RAY DIFFRACTIONf_plane_restr0.0052926
X-RAY DIFFRACTIONf_dihedral_angle_d17.5116252
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDTypeRms dev position (Å)
11A3284X-RAY DIFFRACTIONPOSITIONAL0.05
12B3284X-RAY DIFFRACTIONPOSITIONAL0.05
13C3269X-RAY DIFFRACTIONPOSITIONAL0.044
14D3284X-RAY DIFFRACTIONPOSITIONAL0.061
15E3277X-RAY DIFFRACTIONPOSITIONAL0.044
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 14

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
3.008-3.0830.3922490.36511170121929
3.083-3.16630.395680.3351789185744
3.1663-3.25940.3308970.32492283238057
3.2594-3.36460.37461090.33052896300572
3.3646-3.48480.37351330.30413321345482
3.4848-3.62420.31361450.27433641378690
3.6242-3.7890.26011500.26453778392893
3.789-3.98860.2921560.26223862401895
3.9886-4.23820.31151590.25173931409097
4.2382-4.56490.2491610.23064004416598
4.5649-5.02350.26921600.22074057421799
5.0235-5.74830.24161650.22014059422499
5.7483-7.23460.27391680.24634132430099
7.2346-38.76580.27511720.24284267443998

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