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- PDB-2yhm: Structure of respiratory syncytial virus nucleocapsid protein, P2... -

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Basic information

Entry
Database: PDB / ID: 2yhm
TitleStructure of respiratory syncytial virus nucleocapsid protein, P212121 crystal form
Components
  • NUCLEOPROTEIN
  • RNA
KeywordsVIRAL PROTEIN/RNA / VIRAL PROTEIN-RNA COMPLEX
Function / homology
Function and homology information


Respiratory syncytial virus genome transcription / symbiont-mediated suppression of host PKR/eIFalpha signaling / Translation of respiratory syncytial virus mRNAs / protein serine/threonine kinase inhibitor activity / Respiratory syncytial virus genome replication / helical viral capsid / RSV-host interactions / Maturation of hRSV A proteins / Assembly and release of respiratory syncytial virus (RSV) virions / Respiratory syncytial virus (RSV) attachment and entry ...Respiratory syncytial virus genome transcription / symbiont-mediated suppression of host PKR/eIFalpha signaling / Translation of respiratory syncytial virus mRNAs / protein serine/threonine kinase inhibitor activity / Respiratory syncytial virus genome replication / helical viral capsid / RSV-host interactions / Maturation of hRSV A proteins / Assembly and release of respiratory syncytial virus (RSV) virions / Respiratory syncytial virus (RSV) attachment and entry / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of MDA-5 activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of MAVS activity / PKR-mediated signaling / Evasion by RSV of host interferon responses / viral capsid / viral nucleocapsid / host cell cytoplasm / symbiont-mediated suppression of host type I interferon-mediated signaling pathway / ribonucleoprotein complex / virus-mediated perturbation of host defense response / RNA binding
Similarity search - Function
Pneumovirus nucleocapsid protein / Pneumovirus nucleocapsid protein
Similarity search - Domain/homology
RNA / RNA (> 10) / Nucleoprotein
Similarity search - Component
Biological speciesHUMAN RESPIRATORY SYNCYTIAL VIRUS
ESCHERICHIA COLI (E. coli)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.6 Å
AuthorsEl Omari, K. / Dhaliwal, B. / Ren, J. / Abrescia, N.G.A. / Lockyer, M. / Powell, K.L. / Hawkins, A.R. / Stammers, D.K.
CitationJournal: Acta Crystallogr.,Sect.F / Year: 2011
Title: Structures of Respiratory Syncytial Virus Nucleocapsid Protein from Two Crystal Forms: Details of Potential Packing Interactions in the Native Helical Form.
Authors: El Omari, K. / Dhaliwal, B. / Ren, J. / Abrescia, N.G.A. / Lockyer, M. / Powell, K.L. / Hawkins, A.R. / Stammers, D.K.
History
DepositionMay 4, 2011Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jan 25, 2012Provider: repository / Type: Initial release
Revision 1.1Dec 20, 2023Group: Data collection / Database references ...Data collection / Database references / 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 / struct_ncs_dom_lim
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 / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_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
F: NUCLEOPROTEIN
G: NUCLEOPROTEIN
H: NUCLEOPROTEIN
I: NUCLEOPROTEIN
J: NUCLEOPROTEIN
K: RNA


Theoretical massNumber of molelcules
Total (without water)437,91611
Polymers437,91611
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area74090 Å2
ΔGint-446 kcal/mol
Surface area149300 Å2
MethodPISA
Unit cell
Length a, b, c (Å)133.607, 149.914, 255.196
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
31C
41D
51E
61F
71G
81H
91I
101J

NCS domain segments:

Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: MET / Beg label comp-ID: MET / End auth comp-ID: LEU / End label comp-ID: LEU / Refine code: 1 / Auth seq-ID: 1 - 375 / Label seq-ID: 1 - 375

Dom-IDAuth asym-IDLabel asym-ID
1AA
2BB
3CC
4DD
5EE
6FF
7GG
8HH
9II
10JJ

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Components

#1: Protein
NUCLEOPROTEIN / RESPIRATORY SYNCYTIAL VIRUS NUCLEOCAPSID PROTEIN / NUCLEOCAPSID PROTEIN / PROTEIN N


Mass: 41659.820 Da / Num. of mol.: 10 / Fragment: RESIDUES 1-375
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) HUMAN RESPIRATORY SYNCYTIAL VIRUS / Strain: A2 / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: P03418
#2: RNA chain RNA


Mass: 21317.777 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ESCHERICHIA COLI (E. coli)
Sequence detailsNON SPECIFIC RNA FROM CELLULAR ORIGIN BOUND TO THE NUCLEOPROTEIN

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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: 3.08 Å3/Da / Density % sol: 60 % / Description: NONE
Crystal growpH: 7
Details: 10% (W/V) PEG 400, 0.1 M KCL, 0.05 M HEPES PH 7.0, 0.01 M CACL2

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 0.9785
DetectorType: MARRESEARCH / Detector: CCD
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9785 Å / Relative weight: 1
ReflectionResolution: 3.6→30 Å / Num. obs: 53027 / % possible obs: 81.7 % / Observed criterion σ(I): 2.5 / Redundancy: 11.2 % / Rmerge(I) obs: 0.14 / Net I/σ(I): 14.1
Reflection shellResolution: 3.6→3.73 Å / Redundancy: 10.9 % / Rmerge(I) obs: 0.86 / Mean I/σ(I) obs: 2.5 / % possible all: 66.2

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Processing

Software
NameVersionClassification
REFMAC5.6.0077refinement
HKL-2000data reduction
SCALEPACKdata scaling
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2WJ8
Resolution: 3.6→50 Å / Cor.coef. Fo:Fc: 0.94 / Cor.coef. Fo:Fc free: 0.927 / SU B: 72.231 / SU ML: 0.464 / Cross valid method: THROUGHOUT / ESU R Free: 0.698 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT.
RfactorNum. reflection% reflectionSelection details
Rfree0.22359 2560 5.1 %RANDOM
Rwork0.19634 ---
obs0.19778 47566 83.41 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 102.754 Å2
Baniso -1Baniso -2Baniso -3
1-6.95 Å20 Å20 Å2
2---4.53 Å20 Å2
3----2.42 Å2
Refinement stepCycle: LAST / Resolution: 3.6→50 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms29200 1400 0 0 30600
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0070.02131219
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.0911.94142356
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg4.5653740
X-RAY DIFFRACTIONr_dihedral_angle_2_deg37.44124.5041310
X-RAY DIFFRACTIONr_dihedral_angle_3_deg20.419155470
X-RAY DIFFRACTIONr_dihedral_angle_4_deg15.84115160
X-RAY DIFFRACTIONr_chiral_restr0.0810.24790
X-RAY DIFFRACTIONr_gen_planes_refined0.0040.0222590
X-RAY DIFFRACTIONr_gen_planes_other
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it
X-RAY DIFFRACTIONr_mcangle_other
X-RAY DIFFRACTIONr_scbond_it
X-RAY DIFFRACTIONr_scbond_other
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_scangle_other
X-RAY DIFFRACTIONr_long_range_B_refined
X-RAY DIFFRACTIONr_long_range_B_other
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Ens-ID: 1 / Number: 2920 / Refine-ID: X-RAY DIFFRACTION

Dom-IDAuth asym-IDTypeRms dev position (Å)Weight position
1Atight positional0.020.05
2Btight positional0.020.05
3Ctight positional0.020.05
4Dtight positional0.020.05
5Etight positional0.020.05
6Ftight positional0.020.05
7Gtight positional0.020.05
8Htight positional0.020.05
9Itight positional0.020.05
10Jtight positional0.020.05
1Atight thermal10.580.5
2Btight thermal8.080.5
3Ctight thermal7.810.5
4Dtight thermal7.240.5
5Etight thermal10.430.5
6Ftight thermal8.370.5
7Gtight thermal6.770.5
8Htight thermal8.550.5
9Itight thermal8.760.5
10Jtight thermal8.950.5
LS refinement shellResolution: 3.6→3.693 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.337 154 -
Rwork0.277 2762 -
obs--66.76 %
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
12.3472-0.0676-0.99972.1059-0.13153.3567-0.12210.2264-0.18350.03770.051-0.00930.2228-0.1650.07110.29360.0837-0.19380.3834-0.09390.31414.673-11.5747-30.4334
20.08470.00220.00970.07080.00280.00610.00780.0866-0.02010.0293-0.01270.12510.0057-0.01870.00490.51030.06210.00730.2688-0.0660.2324-8.953330.31830.0282
33.18550.7847-1.00723.2327-0.77032.8324-0.15440.3168-0.1936-0.5490.2295-0.12520.10380.0296-0.07510.41790.1289-0.19240.3848-0.2320.3232.350514.5432-49.4169
43.58881.3961-0.08893.9364-0.64181.9058-0.04510.4095-0.0584-0.46140.11190.0027-0.05970.2287-0.06680.40140.1525-0.14490.4389-0.19830.111-0.036446.6021-49.4876
53.41431.7010.63743.61820.68221.4759-0.08970.19380.2592-0.43330.1260.1144-0.30740.1832-0.03630.48350.1634-0.11080.3732-0.02210.0684-1.493972.8028-31.0408
63.08920.50891.01982.55851.08543.08890.00860.12630.2646-0.2571-0.10730.1471-0.4351-0.15220.09870.44170.16570.02240.09830.02380.104-1.945482.9801-0.5385
72.91340.06361.16031.80430.20983.8608-0.0348-0.08530.1084-0.0795-0.08930.0896-0.3046-0.17910.12410.31690.0860.13810.03460.00270.1832-1.57873.50429.9384
83.98-0.711.172.7105-1.12222.8735-0.1016-0.40630.06850.25370.09330.049-0.168-0.12580.00820.3108-0.00550.21950.0773-0.07570.25590.020447.879449.5135
94.3474-1.17690.58533.4113-0.94062.2888-0.0503-0.312-0.2870.09080.0256-0.03910.02040.03190.02470.347-0.080.20860.0613-0.03820.15772.909215.822249.7561
103.6915-1.7491-1.1183.69350.59471.90760.0291-0.057-0.1630.1956-0.06350.00140.12630.05170.03440.4439-0.10690.01610.0952-0.07630.09825.7355-10.179330.9934
115.926-0.9105-1.93032.39390.52382.6016-0.07310.6576-0.45320.121-0.26550.06340.0245-0.13210.33860.31420.0012-0.05670.2189-0.09110.2166.2676-20.85420.5998
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A1 - 375
2X-RAY DIFFRACTION2K1 - 70
3X-RAY DIFFRACTION3B1 - 375
4X-RAY DIFFRACTION4C1 - 375
5X-RAY DIFFRACTION5D1 - 375
6X-RAY DIFFRACTION6E1 - 375
7X-RAY DIFFRACTION7F1 - 375
8X-RAY DIFFRACTION8G1 - 375
9X-RAY DIFFRACTION9H1 - 375
10X-RAY DIFFRACTION10I1 - 375
11X-RAY DIFFRACTION11J1 - 375

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