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- PDB-5f9h: Crystal structure of RIG-I helicase-RD in complex with 24-mer 5' ... -

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Basic information

Entry
Database: PDB / ID: 5f9h
TitleCrystal structure of RIG-I helicase-RD in complex with 24-mer 5' triphosphate hairpin RNA
Components
  • Probable ATP-dependent RNA helicase DDX58
  • RNA (5'-R(P*AP*AP*UP*AP*UP*AP*AP*UP*AP*GP*UP*GP*AP*UP*AP*UP*UP*AP*UP*AP*UP*UP*C)-3')
Keywordshydrolase/rna / Complex / RIG-I / capped RNA / self versus non-self / innate immunity / hydrolase-rna complex
Function / homology
Function and homology information


regulation of type III interferon production / RIG-I signaling pathway / positive regulation of myeloid dendritic cell cytokine production / OAS antiviral response / detection of virus / NF-kB activation through FADD/RIP-1 pathway mediated by caspase-8 and -10 / positive regulation of response to cytokine stimulus / cytoplasmic pattern recognition receptor signaling pathway / positive regulation of granulocyte macrophage colony-stimulating factor production / cellular response to exogenous dsRNA ...regulation of type III interferon production / RIG-I signaling pathway / positive regulation of myeloid dendritic cell cytokine production / OAS antiviral response / detection of virus / NF-kB activation through FADD/RIP-1 pathway mediated by caspase-8 and -10 / positive regulation of response to cytokine stimulus / cytoplasmic pattern recognition receptor signaling pathway / positive regulation of granulocyte macrophage colony-stimulating factor production / cellular response to exogenous dsRNA / pattern recognition receptor activity / TRAF6 mediated IRF7 activation / RSV-host interactions / response to exogenous dsRNA / positive regulation of interferon-alpha production / TRAF6 mediated NF-kB activation / bicellular tight junction / positive regulation of defense response to virus by host / antiviral innate immune response / positive regulation of interferon-beta production / regulation of cell migration / positive regulation of interleukin-8 production / Negative regulators of DDX58/IFIH1 signaling / DDX58/IFIH1-mediated induction of interferon-alpha/beta / response to virus / Evasion by RSV of host interferon responses / ISG15 antiviral mechanism / ruffle membrane / positive regulation of interleukin-6 production / SARS-CoV-1 activates/modulates innate immune responses / positive regulation of tumor necrosis factor production / double-stranded RNA binding / Ovarian tumor domain proteases / actin cytoskeleton / TRAF3-dependent IRF activation pathway / gene expression / double-stranded DNA binding / defense response to virus / RNA helicase activity / single-stranded RNA binding / Ub-specific processing proteases / RNA helicase / ribonucleoprotein complex / innate immune response / ubiquitin protein ligase binding / positive regulation of gene expression / GTP binding / SARS-CoV-2 activates/modulates innate and adaptive immune responses / positive regulation of transcription by RNA polymerase II / ATP hydrolysis activity / zinc ion binding / ATP binding / identical protein binding / cytosol / cytoplasm
Similarity search - Function
phosphoenolpyruvate carboxylase, domain 3 - #30 / phosphoenolpyruvate carboxylase, domain 3 / RIG-I-like receptor, C-terminal regulatory domain / Metal Binding Protein, Guanine Nucleotide Exchange Factor; Chain A / RIG-I, CARD domain repeat 2 / RIG-I-like receptor, C-terminal / RIG-I receptor C-terminal domain / RIG-I-like receptor, C-terminal regulatory domain / RIG-I-like receptor, C-terminal domain superfamily / : ...phosphoenolpyruvate carboxylase, domain 3 - #30 / phosphoenolpyruvate carboxylase, domain 3 / RIG-I-like receptor, C-terminal regulatory domain / Metal Binding Protein, Guanine Nucleotide Exchange Factor; Chain A / RIG-I, CARD domain repeat 2 / RIG-I-like receptor, C-terminal / RIG-I receptor C-terminal domain / RIG-I-like receptor, C-terminal regulatory domain / RIG-I-like receptor, C-terminal domain superfamily / : / C-terminal domain of RIG-I / RIG-I-like receptor (RLR) C-terminal regulatory (CTR) domain profile. / Caspase recruitment domain / Caspase recruitment domain / Death-like domain superfamily / DEAD/DEAH box helicase domain / DEAD/DEAH box helicase / Beta Complex / Helicase conserved C-terminal domain / helicase superfamily c-terminal domain / Superfamilies 1 and 2 helicase C-terminal domain profile. / Superfamilies 1 and 2 helicase ATP-binding type-1 domain profile. / DEAD-like helicases superfamily / Helicase, C-terminal / Helicase superfamily 1/2, ATP-binding domain / P-loop containing nucleotide triphosphate hydrolases / Up-down Bundle / Rossmann fold / P-loop containing nucleoside triphosphate hydrolase / 3-Layer(aba) Sandwich / Mainly Beta / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
GUANOSINE-5'-TRIPHOSPHATE / RNA / RNA (> 10) / Antiviral innate immune response receptor RIG-I
Similarity search - Component
Biological speciesHomo sapiens (human)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.1 Å
AuthorsWang, C. / Marcotrigiano, J. / Miller, M. / Jiang, F.
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2016
Title: Structural basis for m7G recognition and 2'-O-methyl discrimination in capped RNAs by the innate immune receptor RIG-I.
Authors: Devarkar, S.C. / Wang, C. / Miller, M.T. / Ramanathan, A. / Jiang, F. / Khan, A.G. / Patel, S.S. / Marcotrigiano, J.
History
DepositionDec 9, 2015Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 13, 2016Provider: repository / Type: Initial release
Revision 1.1Jan 20, 2016Group: Database references / Structure summary
Revision 1.2Jan 27, 2016Group: Database references
Revision 1.3Apr 6, 2016Group: Other
Revision 1.4Sep 27, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_oper_list / struct_conn / struct_conn_type
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_oper_list.symmetry_operation / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _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_conn_type.id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Probable ATP-dependent RNA helicase DDX58
B: RNA (5'-R(P*AP*AP*UP*AP*UP*AP*AP*UP*AP*GP*UP*GP*AP*UP*AP*UP*UP*AP*UP*AP*UP*UP*C)-3')
C: Probable ATP-dependent RNA helicase DDX58
D: RNA (5'-R(P*AP*AP*UP*AP*UP*AP*AP*UP*AP*GP*UP*GP*AP*UP*AP*UP*UP*AP*UP*AP*UP*UP*C)-3')
E: Probable ATP-dependent RNA helicase DDX58
F: RNA (5'-R(P*AP*AP*UP*AP*UP*AP*AP*UP*AP*GP*UP*GP*AP*UP*AP*UP*UP*AP*UP*AP*UP*UP*C)-3')
G: Probable ATP-dependent RNA helicase DDX58
H: RNA (5'-R(P*AP*AP*UP*AP*UP*AP*AP*UP*AP*GP*UP*GP*AP*UP*AP*UP*UP*AP*UP*AP*UP*UP*C)-3')
I: Probable ATP-dependent RNA helicase DDX58
J: RNA (5'-R(P*AP*AP*UP*AP*UP*AP*AP*UP*AP*GP*UP*GP*AP*UP*AP*UP*UP*AP*UP*AP*UP*UP*C)-3')
K: Probable ATP-dependent RNA helicase DDX58
L: RNA (5'-R(P*AP*AP*UP*AP*UP*AP*AP*UP*AP*GP*UP*GP*AP*UP*AP*UP*UP*AP*UP*AP*UP*UP*C)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)525,12032
Polymers521,39512
Non-polymers3,72620
Water00
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area35330 Å2
ΔGint-303 kcal/mol
Surface area182590 Å2
MethodPISA
Unit cell
Length a, b, c (Å)111.180, 174.810, 309.280
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

#1: Protein
Probable ATP-dependent RNA helicase DDX58 / DEAD box protein 58 / RIG-I-like receptor 1 / RLR-1 / Retinoic acid-inducible gene 1 protein / RIG- ...DEAD box protein 58 / RIG-I-like receptor 1 / RLR-1 / Retinoic acid-inducible gene 1 protein / RIG-1 / Retinoic acid-inducible gene I protein / RIG-I


Mass: 79594.734 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: DDX58 / Production host: Escherichia coli (E. coli) / References: UniProt: O95786, RNA helicase
#2: RNA chain
RNA (5'-R(P*AP*AP*UP*AP*UP*AP*AP*UP*AP*GP*UP*GP*AP*UP*AP*UP*UP*AP*UP*AP*UP*UP*C)-3')


Mass: 7304.353 Da / Num. of mol.: 6 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#3: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Zn
#4: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Mg
#5: Chemical
ChemComp-GTP / GUANOSINE-5'-TRIPHOSPHATE


Mass: 523.180 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C10H16N5O14P3 / Comment: GTP, energy-carrying molecule*YM

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION

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Sample preparation

CrystalDensity Matthews: 2.87 Å3/Da / Density % sol: 57.08 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop
Details: 23% (w/v) PEG 3350, 0.25 M KSCN, 100 mM MOPS (pH 7.8)

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: NSLS / Beamline: X25 / Wavelength: 1.1 Å
DetectorType: PSI PILATUS 6M / Detector: PIXEL / Date: Jul 22, 2012
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.1 Å / Relative weight: 1
ReflectionResolution: 3.1→49.664 Å / Num. obs: 109315 / % possible obs: 99.5 % / Redundancy: 11.1 % / Rmerge(I) obs: 0.28 / Net I/σ(I): 9.6
Reflection shellResolution: 3.2→3.4 Å / Redundancy: 10.6 % / Mean I/σ(I) obs: 2.4 / % possible all: 99.6

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Processing

Software
NameVersionClassification
PHENIX1.9_1690refinement
iMOSFLMdata reduction
Aimlessdata scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5E3H
Resolution: 3.1→49.442 Å / SU ML: 0.39 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 26.13 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2656 5451 4.99 %
Rwork0.2135 --
obs0.216 109315 99.41 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.1→49.442 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms30480 3108 15 0 33603
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00434556
X-RAY DIFFRACTIONf_angle_d0.73747390
X-RAY DIFFRACTIONf_dihedral_angle_d12.0613230
X-RAY DIFFRACTIONf_chiral_restr0.0315473
X-RAY DIFFRACTIONf_plane_restr0.0035523
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.1-3.13520.36081850.3073414X-RAY DIFFRACTION99
3.1352-3.17210.35971860.29873441X-RAY DIFFRACTION100
3.1721-3.21080.34321740.29333383X-RAY DIFFRACTION100
3.2108-3.25140.33711890.28593438X-RAY DIFFRACTION99
3.2514-3.29420.35771720.28993461X-RAY DIFFRACTION100
3.2942-3.33930.28671770.27633389X-RAY DIFFRACTION100
3.3393-3.3870.36821930.26783428X-RAY DIFFRACTION99
3.387-3.43750.3391860.2573382X-RAY DIFFRACTION99
3.4375-3.49120.29771820.25543470X-RAY DIFFRACTION99
3.4912-3.54850.31931760.25383404X-RAY DIFFRACTION100
3.5485-3.60960.3011810.24653436X-RAY DIFFRACTION99
3.6096-3.67530.26641850.23643415X-RAY DIFFRACTION99
3.6753-3.74590.28081620.22543454X-RAY DIFFRACTION99
3.7459-3.82240.27441700.2273456X-RAY DIFFRACTION99
3.8224-3.90540.22561910.21153399X-RAY DIFFRACTION99
3.9054-3.99620.24671810.20653451X-RAY DIFFRACTION99
3.9962-4.09610.23261570.20253453X-RAY DIFFRACTION99
4.0961-4.20680.2411670.20173430X-RAY DIFFRACTION99
4.2068-4.33060.26121570.19763470X-RAY DIFFRACTION99
4.3306-4.47020.23552020.17743423X-RAY DIFFRACTION99
4.4702-4.62990.23051840.16073450X-RAY DIFFRACTION99
4.6299-4.81510.2271860.16743436X-RAY DIFFRACTION99
4.8151-5.03410.23061810.16973490X-RAY DIFFRACTION100
5.0341-5.29920.20911970.1753500X-RAY DIFFRACTION100
5.2992-5.63080.24811800.19623490X-RAY DIFFRACTION100
5.6308-6.06480.26921660.2093522X-RAY DIFFRACTION100
6.0648-6.67380.26552000.2093524X-RAY DIFFRACTION100
6.6738-7.63650.24021920.1933553X-RAY DIFFRACTION100
7.6365-9.60960.21031810.17013584X-RAY DIFFRACTION100
9.6096-49.44820.2672110.20953718X-RAY DIFFRACTION99
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)
10.61020.37620.00610.4330.13540.33480.01740.12920.05360.06840.1011-0.01320.0470.1527-0.00010.29410.0579-0.00790.3164-0.05990.2875-48.1572-29.584871.4589
20.59930.19430.16760.80850.25090.81480.2541-0.02310.31130.5035-0.111-0.06960.276-0.0313-0.05780.5971-0.11510.01810.1615-0.10790.1411-57.1174-29.0914101.1531
30.36040.0302-0.07190.0837-0.0680.15830.56970.39630.04040.7944-0.46770.46130.6487-0.31530.10051.2877-0.3070.0670.27820.02630.5542-70.3782-55.51989.9774
40.02110.0091-0.03130.0002-0.00310.0184-0.1496-0.1795-0.12450.1971-0.0350.06690.193-0.149900.6789-0.057-0.04890.33350.01170.3936-53.3295-39.617689.7959
5-0.0032-0.00610.00180.0028-0.00080.0001-0.06330.0073-0.12580.0077-0.0589-0.08880.0033-0.005-01.429-0.0097-0.46431.47720.36951.2611-42.3819-45.0415101.861
6-0.00660.00820.0003-0.01580.01760.0220.11340.1109-0.0790.51650.02340.05130.01290.036500.6706-0.01690.00510.3266-0.01970.3836-56.8604-39.290491.8479
70.0226-0.00880.0313-0.00960.00980.0286-0.1173-0.1445-0.18960.36340.0098-0.0819-0.0857-0.002100.30710.01560.03650.3720.0040.4356-86.8186-21.814667.481
80.1987-0.003-0.11550.22760.0240.13410.02850.0179-0.1120.0128-0.04890.2667-0.00040.065800.31460.0211-0.02040.3652-0.04480.4593-76.6338-28.437954.36
90.2446-0.0094-0.19580.1907-0.08940.19030.27640.06490.1110.0312-0.17210.1245-0.1237-0.25180.02860.31260.0466-0.00360.3334-0.0170.5859-90.8943-8.618755.6154
100.02650.03610.0220.00840.02730.06740.19430.20140.1772-0.06850.14370.34190.04580.09370.0241.29510.48120.50440.83570.47970.7606-68.9239.20621.6028
110.18440.01530.1294-0.08170.09730.10350.3669-0.05850.587-0.2294-0.0714-0.3381-0.21960.1281-0.050.96160.08030.55160.53370.10561.1612-64.447714.598938.595
120.1367-0.06510.18880.0409-0.06120.45720.3874-0.18930.1319-0.37730.0193-0.4047-0.11990.15130.10.4748-0.00220.23050.4264-0.11520.7654-72.57124.204957.4053
130.1364-0.30850.11360.2846-0.30240.13240.25160.30870.1385-0.3078-0.18120.3386-0.2816-0.3381-0.00410.49790.08190.00080.5332-0.03630.5691-87.442-10.757543.1298
140.17160.0177-0.11520.1276-0.06550.06150.54120.2801-0.106-0.1862-0.2898-0.1975-0.19350.05650.0020.67650.16440.10640.6256-0.00760.468-60.066-16.817527.1393
150.01570.0232-0.01870.0056-0.00020.00750.15240.16370.1509-0.09620.16140.0923-0.11310.1355-00.59310.20920.11290.47380.0440.6442-77.9725-9.379739.7574
16-0.003-0.00020.005-0.00050.00510.0041-0.02970.112-0.0299-0.06430.05910.03540.0444-0.107901.31750.5038-0.14031.52770.23091.3906-89.1752-1.642529.329
17-0.0165-0.012-0.0040.0085-0.0216-0.01710.18150.25670.0144-0.17970.1014-0.132-0.326-0.1088-00.45810.07480.07140.40620.08650.4385-74.5185-7.408839.0234
180.5998-0.22830.01210.32230.10660.47640.05120.03750.1296-0.00140.02150.00590.02060.0898-00.3542-0.0145-0.01140.3776-0.0230.5203-27.773414.187397.8486
19-0.0488-0.04410.0498-0.02770.0284-0.00480.0567-0.1376-0.3286-0.10370.21720.00550.24980.21270.1139-0.01190.6959-1.71450.39890.3612-1.0975-13.1946-18.3336129.3668
200.10490.07520.12790.19820.18710.15440.08270.1708-0.03790.1593-0.00070.00650.16830.10650.00010.58710.0587-0.14420.505-0.11510.6124-24.3191-13.185699.3431
210.25370.2988-0.05290.5649-0.34860.41350.0264-0.13970.37610.2456-0.0338-0.150.00740.32920.24940.56170.1443-0.14470.8501-0.2030.5339-13.869511.3039126.9599
220.0048-0.01650.0110.00850.00990.02290.0611-0.3573-0.03820.05350.3113-0.00410.1609-0.0277-00.541-0.0177-0.13970.6877-0.08980.5724-25.92730.2244117.2073
23-0.0103-0.01950.00350.06480.01180.03160.1047-0.35730.11540.08780.07350.0499-0.0005-0.274-00.54260.0952-0.12330.6374-0.03880.5802-26.12340.1774119.7126
240.12820.1566-0.09170.1494-0.06810.21030.1028-0.3618-0.2256-0.1535-0.08310.0515-0.00870.3876-0.00020.3955-0.0854-0.08530.71370.01470.3728-15.4435-41.462329.9547
250.2108-0.0093-0.10310.14680.03120.1460.2457-0.15470.0802-0.0857-0.072-0.0125-0.20850.2592-0.00250.4803-0.09830.00690.799-0.05160.4583-3.6703-29.230616.7347
260.004-0.00560.04270.02940.01420.01350.0793-0.01670.1660.1609-0.0858-0.0388-0.25040.08101.2442-0.00670.4020.5001-0.07820.8163-24.65768.540919.9824
270.26240.00880.04760.10320.03460.16410.58360.47960.5272-0.02850.00560.1056-0.41070.08880.37150.77730.28020.49040.3979-0.22080.3815-29.7995-4.27047.7131
280.01040.0123-0.01580.02620.02520.00610.1959-0.3089-0.11340.0032-0.06120.2646-0.1695-0.248800.55470.0064-0.01420.6883-0.04620.5309-26.0106-26.44064.9342
290.26960.12870.05140.307-0.19720.10390.3335-0.10610.1276-0.0042-0.1528-0.2143-0.37420.39440.04760.5758-0.17570.08350.7132-0.09910.3593-8.5584-20.300922.6786
300.5081-0.23720.3040.1923-0.14310.24950.5178-0.40890.01460.1411-0.16540.1755-0.24920.15040.11420.7921-0.18310.23010.5924-0.19660.4912-34.6266-10.337139.8522
310.007-0.01740.0040.0112-0.00330.0037-0.0120.0890.154-0.22-0.0994-0.0597-0.2322-0.0937-00.8219-0.34540.32350.8482-0.2770.5699-16.7106-16.515526.5924
32-0.0010.0021-0.001-0.00060.00530.0048-0.0781-0.11610.01050.0784-0.0289-0.099-0.02860.051901.3906-0.56730.40231.5317-0.41871.4642-5.4754-3.553426.4759
330.0379-0.05290.07840.0533-0.11760.08630.3252-0.2230.2079-0.17090.1768-0.137-0.25540.11190.02820.5119-0.13720.20950.5417-0.22730.5001-20.2288-14.745125.379
340.2339-0.0126-0.00540.29710.15690.2880.0924-0.31340.0276-0.03830.0591-0.07980.01930.08730.00010.3398-0.01980.04120.5415-0.08680.64928.092923.032587.2837
350.68820.1984-0.08620.0695-0.10350.25031.5197-1.161-1.2702-0.2966-0.68790.0143-0.6252-0.27910.3454-1.72912.88490.6828-1.8538-0.905-0.1952-4.787222.85648.481
360.1577-0.0995-0.25360.30360.26490.67890.52820.01120.1912-0.5357-0.2398-0.2282-0.2642-0.0390.06240.60640.10550.18490.3986-0.02720.7324-0.401237.650467.8657
370.0072-0.01650.01540.0123-0.01940.01050.02030.08750.2535-0.18-0.24850.257-0.00790.1343-00.69150.19710.26460.40350.01720.81734.105532.898866.2894
38-0.00580.0026-0.0040.00380.0048-0.0038-0.1251-0.10640.10940.0648-0.0961-0.093-0.10540.058101.3450.08150.48341.30770.24761.500515.926439.093855.5845
390.00540.0135-0.0037-0.01510.02590.0080.2498-0.01790.1269-0.3835-0.1862-0.2063-0.04060.010900.57660.11180.15320.33240.01280.60110.700832.859164.1256
400.6247-0.213-0.17970.42340.11970.5334-0.04120.01670.0467-0.0237-0.08440.0665-0.01330.0897-00.38830.0018-0.05140.4413-0.04520.3163-47.2224-53.59425.2392
410.23540.0689-0.08120.07740.02790.0268-0.03290.3749-0.2659-0.3815-0.3555-0.12140.52010.3412-0.00440.88840.33860.04790.7124-0.03780.6739-32.7885-92.22486.8787
420.3306-0.10940.15290.25580.04980.2922-0.01290.0641-0.2981-0.1355-0.08970.20450.14260.172-0.00030.54260.1273-0.05970.6268-0.06490.4608-45.5989-68.841513.4388
430.0742-0.04010.01350.08640.08960.1141-0.0227-0.28120.1626-0.1289-0.1598-0.52650.1970.413400.56790.16790.02920.73150.16250.7608-25.6852-83.105335.369
440.0175-0.0251-0.01480.0092-0.01680.02470.1015-0.1943-0.2522-0.2320.00790.14270.11750.1664-00.56590.0868-0.10460.491-0.04890.5588-44.9631-77.147221.4006
45-0.00480.00290.03990.006-0.0060.0089-0.08040.0929-0.3154-0.0241-0.01750.36970.21340.012600.6130.07030.05550.4876-0.00490.6371-45.0558-79.476722.5102
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 241 through 470 )
2X-RAY DIFFRACTION2chain 'A' and (resid 471 through 793 )
3X-RAY DIFFRACTION3chain 'A' and (resid 794 through 922 )
4X-RAY DIFFRACTION4chain 'B' and (resid 2 through 8 )
5X-RAY DIFFRACTION5chain 'B' and (resid 9 through 14 )
6X-RAY DIFFRACTION6chain 'B' and (resid 15 through 24 )
7X-RAY DIFFRACTION7chain 'C' and (resid 241 through 283 )
8X-RAY DIFFRACTION8chain 'C' and (resid 284 through 395 )
9X-RAY DIFFRACTION9chain 'C' and (resid 396 through 470 )
10X-RAY DIFFRACTION10chain 'C' and (resid 471 through 530 )
11X-RAY DIFFRACTION11chain 'C' and (resid 531 through 624 )
12X-RAY DIFFRACTION12chain 'C' and (resid 625 through 731 )
13X-RAY DIFFRACTION13chain 'C' and (resid 732 through 819 )
14X-RAY DIFFRACTION14chain 'C' and (resid 820 through 922 )
15X-RAY DIFFRACTION15chain 'D' and (resid 2 through 8 )
16X-RAY DIFFRACTION16chain 'D' and (resid 9 through 14 )
17X-RAY DIFFRACTION17chain 'D' and (resid 15 through 24 )
18X-RAY DIFFRACTION18chain 'E' and (resid 242 through 470 )
19X-RAY DIFFRACTION19chain 'E' and (resid 471 through 601 )
20X-RAY DIFFRACTION20chain 'E' and (resid 602 through 770 )
21X-RAY DIFFRACTION21chain 'E' and (resid 771 through 922 )
22X-RAY DIFFRACTION22chain 'F' and (resid 2 through 10 )
23X-RAY DIFFRACTION23chain 'F' and (resid 11 through 24 )
24X-RAY DIFFRACTION24chain 'G' and (resid 240 through 395 )
25X-RAY DIFFRACTION25chain 'G' and (resid 396 through 469 )
26X-RAY DIFFRACTION26chain 'G' and (resid 470 through 527 )
27X-RAY DIFFRACTION27chain 'G' and (resid 528 through 648 )
28X-RAY DIFFRACTION28chain 'G' and (resid 649 through 710 )
29X-RAY DIFFRACTION29chain 'G' and (resid 711 through 819 )
30X-RAY DIFFRACTION30chain 'G' and (resid 820 through 922 )
31X-RAY DIFFRACTION31chain 'H' and (resid 2 through 8 )
32X-RAY DIFFRACTION32chain 'H' and (resid 9 through 14 )
33X-RAY DIFFRACTION33chain 'H' and (resid 15 through 24 )
34X-RAY DIFFRACTION34chain 'I' and (resid 240 through 451 )
35X-RAY DIFFRACTION35chain 'I' and (resid 452 through 710 )
36X-RAY DIFFRACTION36chain 'I' and (resid 711 through 923 )
37X-RAY DIFFRACTION37chain 'J' and (resid 2 through 8 )
38X-RAY DIFFRACTION38chain 'J' and (resid 9 through 14 )
39X-RAY DIFFRACTION39chain 'J' and (resid 15 through 24 )
40X-RAY DIFFRACTION40chain 'K' and (resid 242 through 470 )
41X-RAY DIFFRACTION41chain 'K' and (resid 471 through 624 )
42X-RAY DIFFRACTION42chain 'K' and (resid 625 through 819 )
43X-RAY DIFFRACTION43chain 'K' and (resid 820 through 922 )
44X-RAY DIFFRACTION44chain 'L' and (resid 2 through 10 )
45X-RAY DIFFRACTION45chain 'L' and (resid 11 through 24 )

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