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- PDB-4eo2: Structure of the bacteriophage C1 tail knob protein, gp12 -

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Basic information

Entry
Database: PDB / ID: 4eo2
TitleStructure of the bacteriophage C1 tail knob protein, gp12
ComponentsMajor tail protein
KeywordsSTRUCTURAL PROTEIN / VIRAL PROTEIN
Function / homologyDistal tube protein, N-terminal / Caudoviral major tail protein N-terminus / identical protein binding / Major tail protein
Function and homology information
Biological speciesStreptococcus phage C1 (virus)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 3.007 Å
AuthorsAksyuk, A.A. / Rossmann, M.G.
CitationJournal: Proc Natl Acad Sci U S A / Year: 2012
Title: Structural investigations of a Podoviridae streptococcus phage C1, implications for the mechanism of viral entry.
Authors: Anastasia A Aksyuk / Valorie D Bowman / Bärbel Kaufmann / Christopher Fields / Thomas Klose / Heather A Holdaway / Vincent A Fischetti / Michael G Rossmann /
Abstract: The Podoviridae phage C1 was one of the earliest isolated bacteriophages and the first virus documented to be active against streptococci. The icosahedral and asymmetric reconstructions of the virus ...The Podoviridae phage C1 was one of the earliest isolated bacteriophages and the first virus documented to be active against streptococci. The icosahedral and asymmetric reconstructions of the virus were calculated using cryo-electron microscopy. The capsid protein has an HK97 fold arranged into a T = 4 icosahedral lattice. The C1 tail is terminated with a ϕ29-like knob, surrounded by a skirt of twelve long appendages with novel morphology. Several C1 structural proteins have been identified, including a candidate for an appendage. The crystal structure of the knob has an N-terminal domain with a fold observed previously in tube forming proteins of Siphoviridae and Myoviridae phages. The structure of C1 suggests the mechanisms by which the virus digests the cell wall and ejects its genome. Although there is little sequence similarity to other phages, conservation of the structural proteins demonstrates a common origin of the head and tail, but more recent evolution of the appendages.
History
DepositionApr 13, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 22, 2012Provider: repository / Type: Initial release
Revision 1.1Aug 29, 2012Group: Database references
Revision 1.2Sep 12, 2012Group: Database references
Revision 1.3Nov 15, 2017Group: Refinement description / Category: software / Item: _software.classification / _software.name
Revision 1.4Feb 28, 2024Group: Data collection / Database references
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Major tail protein
B: Major tail protein
C: Major tail protein
D: Major tail protein
E: Major tail protein
F: Major tail protein


Theoretical massNumber of molelcules
Total (without water)400,9316
Polymers400,9316
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area31100 Å2
ΔGint-66 kcal/mol
Surface area110380 Å2
MethodPISA
Unit cell
Length a, b, c (Å)205.614, 209.640, 102.975
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number18
Space group name H-MP21212
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
31
41
51
61

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection details
111chain 'A' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)
211chain 'B' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)
311chain 'C' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)
411chain 'D' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)
511chain 'E' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)
611chain 'F' and (resseq 3:49 or resseq 53:381 or resseq 462:573 ) and (not element H)

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Components

#1: Protein
Major tail protein / tail knob protein / gp12


Mass: 66821.797 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Streptococcus phage C1 (virus) / Gene: orf12 / Production host: Escherichia coli (E. coli) / References: UniProt: Q7Y3F0

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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: 2.77 Å3/Da / Density % sol: 55.56 %
Crystal growTemperature: 293 K / Method: evaporation / pH: 6
Details: 30% MPD, 0.1 M sodium citrate, pH 6.0, EVAPORATION, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.00931, 1.00579, 1.00939
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Aug 17, 2010
RadiationMonochromator: double crystal Si(111) / Protocol: MAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
IDWavelength (Å)Relative weight
11.009311
21.005791
31.009391
ReflectionResolution: 3.007→146.794 Å / Num. all: 88860 / Num. obs: 87794 / % possible obs: 98.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 7.2 % / Rmerge(I) obs: 0.068 / Rsym value: 0.068 / Net I/σ(I): 27.44
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsRsym valueDiffraction-ID% possible all
3.007-3.115.80.4253.740.425191
3.11-3.23197.5
3.23-3.38199.7
3.38-3.561100
3.56-3.781100
3.78-4.071100
4.07-4.481100
4.48-5.13199.8
5.13-6.461100
6.46-50199.5

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Processing

Software
NameClassification
HKL-2000data collection
SHELXCDphasing
SHELXEmodel building
RESOLVEmodel building
PHENIXrefinement
HKL-2000data reduction
HKL-2000data scaling
RESOLVEphasing
RefinementMethod to determine structure: MAD / Resolution: 3.007→50.002 Å / SU ML: 0.49 / σ(F): 1.89 / Phase error: 33.99 / Stereochemistry target values: MLHL
RfactorNum. reflection% reflection
Rfree0.2824 4387 5.02 %
Rwork0.2383 --
obs0.2406 87392 98.04 %
all-88860 -
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 74.58 Å2 / ksol: 0.278 e/Å3
Displacement parameters
Baniso -1Baniso -2Baniso -3
1-43.0455 Å2-0 Å2-0 Å2
2---30.4826 Å20 Å2
3----12.563 Å2
Refinement stepCycle: LAST / Resolution: 3.007→50.002 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms23688 0 0 0 23688
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01824180
X-RAY DIFFRACTIONf_angle_d1.8632784
X-RAY DIFFRACTIONf_dihedral_angle_d18.7628826
X-RAY DIFFRACTIONf_chiral_restr0.0993636
X-RAY DIFFRACTIONf_plane_restr0.0074260
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDTypeRms dev position (Å)
11A3948X-RAY DIFFRACTIONPOSITIONAL
12B3948X-RAY DIFFRACTIONPOSITIONAL0.112
13C3948X-RAY DIFFRACTIONPOSITIONAL0.105
14D3948X-RAY DIFFRACTIONPOSITIONAL0.096
15E3948X-RAY DIFFRACTIONPOSITIONAL0.102
16F3948X-RAY DIFFRACTIONPOSITIONAL0.104
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.007-3.04150.52881330.43682201X-RAY DIFFRACTION80
3.0415-3.07730.49431230.39522508X-RAY DIFFRACTION90
3.0773-3.11480.46461390.36442647X-RAY DIFFRACTION93
3.1148-3.15430.41461180.32942659X-RAY DIFFRACTION96
3.1543-3.19570.47531250.33612735X-RAY DIFFRACTION97
3.1957-3.23950.42631410.32822749X-RAY DIFFRACTION98
3.2395-3.28580.37871650.32222714X-RAY DIFFRACTION99
3.2858-3.33480.40341760.30142766X-RAY DIFFRACTION99
3.3348-3.38690.40871700.28792757X-RAY DIFFRACTION99
3.3869-3.44240.361380.29212781X-RAY DIFFRACTION100
3.4424-3.50180.38331410.30052782X-RAY DIFFRACTION100
3.5018-3.56540.34591440.28262777X-RAY DIFFRACTION99
3.5654-3.6340.34241530.28792774X-RAY DIFFRACTION99
3.634-3.70820.31471400.27522820X-RAY DIFFRACTION100
3.7082-3.78880.311630.26522748X-RAY DIFFRACTION99
3.7888-3.87690.30591230.2582809X-RAY DIFFRACTION99
3.8769-3.97380.33291600.25552805X-RAY DIFFRACTION99
3.9738-4.08120.26551140.23362802X-RAY DIFFRACTION99
4.0812-4.20120.2561370.22762797X-RAY DIFFRACTION99
4.2012-4.33670.28741580.21092785X-RAY DIFFRACTION99
4.3367-4.49160.28821330.20912833X-RAY DIFFRACTION99
4.4916-4.67140.26911480.20012814X-RAY DIFFRACTION99
4.6714-4.88380.22281360.19462809X-RAY DIFFRACTION99
4.8838-5.1410.25661530.20382829X-RAY DIFFRACTION100
5.141-5.46280.26451540.20882824X-RAY DIFFRACTION100
5.4628-5.88390.23611680.2132822X-RAY DIFFRACTION100
5.8839-6.47490.23241670.21582861X-RAY DIFFRACTION100
6.4749-7.40930.22151560.20722879X-RAY DIFFRACTION100
7.4093-9.3250.20921390.18452923X-RAY DIFFRACTION100
9.325-50.00840.20421720.222995X-RAY DIFFRACTION98
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)
10.0011-0.0039-0.00360.0054-0.00620.0253-0.03560.0040.04940.0045-0.0452-0.0235-0.01920.0016-0.00780.50450.179-0.00180.35210.10720.375978.3081147.352534.6198
20.03540.0154-0.00880.0086-0.00550.00540.0508-0.02320.1861-0.01460.0396-0.0622-0.0484-0.0320.09670.47020.1162-0.19320.31860.0010.322375.1315145.455537.0826
30.09440.0174-0.0830.07840.03610.1021-0.0561-0.0115-0.0440.0031-0.08790.06410.0426-0.115-0.10710.21040.0551-0.04280.2073-0.02770.0938101.188886.694482.3283
40.1211-0.01270.06540.03470.03930.14270.0885-0.0896-0.0246-0.0615-0.04960.0198-0.0297-0.14560.1520.0170.0908-0.09340.1781-0.1628-0.021587.5727112.526663.309
50.0125-0.02190.01380.0465-0.00630.028-0.01020.0195-0.00760.00330.0127-0.0105-0.0104-0.0140.02790.17140.1927-0.27630.1661-0.12660.284262.5908160.862462.2357
60.0009-0.0050.00240.0004-0.00480.0049-0.00050.00510.01840.00340.03390.014-0.0162-0.01280.0220.25330.2286-0.20530.2994-0.03950.266863.4493163.016355.0373
70.2071-0.0651-0.08730.06330.15920.2328-0.243-1.2447-0.13110.3345-0.32880.19590.0928-0.1946-1.2133-0.36920.2488-0.1837-0.2262-0.6266-1.155675.6641116.498491.6676
80.01680.0019-0.00890.0009-0.00050.00750.0172-0.0149-0.0053-0.00280.01870.0072-0.0206-0.00050.03480.63840.1623-0.37570.5311-0.33340.643429.8316152.611669.9236
90.0286-0.00740.01420.0086-0.00340.00960.0063-0.0284-0.0568-0.0099-0.05830.07850.0235-0.074300.70480.1058-0.45030.671-0.25931.024231.5451149.252167.5744
100.00570.00760.01470.14890.01820.01770.0707-0.3627-0.19530.1783-0.10730.16530.1943-0.2248-0.07240.5018-0.20250.08710.98390.12220.493554.926289.694111.3739
110.23430.2380.24620.25640.16920.4149-0.1531-0.31260.2083-0.0686-0.3330.3857-0.061-0.2501-0.43970.26260.1069-0.07550.7146-0.19170.41845.1868114.632789.6634
120.0083-0.00540.00460.00690.0020.00640.06190.0094-0.06520.02740.0524-0.0251-0.0079-0.01520.00010.81880.2868-0.22920.4629-0.10280.869911.6903133.065650.0404
130.2026-0.0012-0.12260.03060.02260.0776-0.0522-0.1971-0.0582-0.0473-0.18070.15530.0127-0.0763-0.07340.7099-0.0453-0.33140.6029-0.17391.013227.1372108.566462.6967
140.01510.0167-0.00160.01920.00240.00880.0825-0.00710.0308-0.0210.01170.06250.0046-0.05640.00010.8363-0.2837-0.06280.80310.21420.812948.433757.7987100.3589
150.29160.0665-0.05890.13270.04890.37050.0296-0.2752-0.0740.0241-0.33260.2471-0.0565-0.2403-0.51740.4306-0.1828-0.28640.41310.00560.874533.346191.027574.904
160.00410.00170.00750.0031-0.00020.00870.09430.0238-0.00140.04340.0075-0.02240.03040.050600.90960.1217-0.38770.6152-0.07570.88824.9023118.886623.2584
170.01340.01720.0170.01870.01940.0233-0.0179-0.0119-0.05290.03580.0019-0.0582-0.01210.063200.87950.2114-0.41160.6908-0.050.839634.8654116.212124.7069
180.0674-0.0131-0.04550.01730.05010.148-0.0022-0.1249-0.1371-0.0018-0.14260.10440.0645-0.0996-0.17420.5937-0.1778-0.34820.36470.05370.794357.099664.480563.67
190.28860.2260.05040.2760.1280.0943-0.16980.1541-0.2591-0.1329-0.1340.18220.0009-0.0976-0.71470.7356-0.284-0.69330.0052-0.1810.816950.172377.461354.5097
200.0007-0.01530.00270.06460.00530.06990.01860.04790.0315-0.0201-0.10590.0782-0.0378-0.017-0.04740.66460.383-0.2520.5943-0.21790.251358.9502126.405912.9866
210.0462-0.0227-0.0230.0333-0.01010.07330.02560.10610.048-0.0235-0.10070.0693-0.0956-0.14530.01720.52860.2091-0.12840.4646-0.12750.218267.3791117.384430.2888
220.03890.024-0.02630.03850.00440.05440.020.0218-0.0956-0.1759-0.08630.0214-0.0154-0.007-0.03230.5570.0477-0.23010.1746-0.04210.559390.183659.183166.3759
230.0743-0.04010.05660.16680.09410.04270.10320.1044-0.3739-0.2939-0.05750.15750.01560.00410.00210.52420.1682-0.257-0.1118-0.4325-0.073175.119194.008345.0428
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resseq 3:60)
2X-RAY DIFFRACTION2chain 'A' and (resseq 61:135)
3X-RAY DIFFRACTION3chain 'A' and (resseq 136:276)
4X-RAY DIFFRACTION4chain 'A' and (resseq 277:573)
5X-RAY DIFFRACTION5chain 'B' and (resseq 3:60)
6X-RAY DIFFRACTION6chain 'B' and (resseq 61:97)
7X-RAY DIFFRACTION7chain 'B' and (resseq 98:573)
8X-RAY DIFFRACTION8chain 'C' and (resseq 3:60)
9X-RAY DIFFRACTION9chain 'C' and (resseq 61:135)
10X-RAY DIFFRACTION10chain 'C' and (resseq 136:285)
11X-RAY DIFFRACTION11chain 'C' and (resseq 286:573)
12X-RAY DIFFRACTION12chain 'D' and (resseq 3:88)
13X-RAY DIFFRACTION13chain 'D' and (resseq 89:177)
14X-RAY DIFFRACTION14chain 'D' and (resseq 178:243)
15X-RAY DIFFRACTION15chain 'D' and (resseq 244:573)
16X-RAY DIFFRACTION16chain 'E' and (resseq 3:73)
17X-RAY DIFFRACTION17chain 'E' and (resseq 74:135)
18X-RAY DIFFRACTION18chain 'E' and (resseq 136:215)
19X-RAY DIFFRACTION19chain 'E' and (resseq 216:573)
20X-RAY DIFFRACTION20chain 'F' and (resseq 3:88)
21X-RAY DIFFRACTION21chain 'F' and (resseq 89:158)
22X-RAY DIFFRACTION22chain 'F' and (resseq 159:276)
23X-RAY DIFFRACTION23chain 'F' and (resseq 277:573)

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