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- PDB-6k60: Structural and functional basis for HLA-G isoform recognition of ... -

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Basic information

Entry
Database: PDB / ID: 6k60
TitleStructural and functional basis for HLA-G isoform recognition of immune checkpoint receptor LILRBs
Components
  • Beta-2-microglobulinBeta-2 microglobulin
  • HLA class I histocompatibility antigen, alpha chain G
  • Leukocyte immunoglobulin-like receptor subfamily B member 1
  • Peptide from Histone H2A.J
KeywordsIMMUNE SYSTEM / HLA class I / HLAG / LILRB1/ILT2
Function / homology
Function and homology information


peripheral B cell tolerance induction / positive regulation of tolerance induction / HLA-A specific inhibitory MHC class I receptor activity / positive regulation of gamma-delta T cell activation involved in immune response / MHC class Ib protein complex binding / inhibitory MHC class I receptor activity / HLA-B specific inhibitory MHC class I receptor activity / negative regulation of dendritic cell differentiation / immune response-inhibiting cell surface receptor signaling pathway / MHC class Ib protein binding ...peripheral B cell tolerance induction / positive regulation of tolerance induction / HLA-A specific inhibitory MHC class I receptor activity / positive regulation of gamma-delta T cell activation involved in immune response / MHC class Ib protein complex binding / inhibitory MHC class I receptor activity / HLA-B specific inhibitory MHC class I receptor activity / negative regulation of dendritic cell differentiation / immune response-inhibiting cell surface receptor signaling pathway / MHC class Ib protein binding / Fc receptor mediated inhibitory signaling pathway / negative regulation of mononuclear cell proliferation / MHC class Ib receptor activity / negative regulation of T cell mediated cytotoxicity / MHC class I receptor activity / negative regulation of CD8-positive, alpha-beta T cell activation / negative regulation of transforming growth factor beta production / negative regulation of alpha-beta T cell activation / negative regulation of cytokine production involved in immune response / negative regulation of serotonin secretion / positive regulation of T cell tolerance induction / dendritic cell differentiation / protein phosphatase 1 binding / negative regulation of T cell activation via T cell receptor contact with antigen bound to MHC molecule on antigen presenting cell / negative regulation of osteoclast development / negative regulation of G0 to G1 transition / negative regulation of interleukin-12 production / negative regulation of interferon-beta production / negative regulation of endocytosis / negative regulation of immune response / negative regulation of dendritic cell apoptotic process / positive regulation of regulatory T cell differentiation / positive regulation of endothelial cell apoptotic process / filopodium membrane / positive regulation of natural killer cell cytokine production / cis-Golgi network membrane / positive regulation of macrophage cytokine production / T cell proliferation involved in immune response / negative regulation of natural killer cell mediated cytotoxicity / negative regulation of interleukin-10 production / protein homotrimerization / negative regulation of calcium ion transport / negative regulation of type II interferon production / negative regulation of tumor necrosis factor production / negative regulation of cell cycle / negative regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / CD8 receptor binding / MHC class I protein binding / cellular defense response / Packaging Of Telomere Ends / Recognition and association of DNA glycosylase with site containing an affected purine / Cleavage of the damaged purine / Deposition of new CENPA-containing nucleosomes at the centromere / negative regulation of T cell proliferation / positive regulation of defense response to virus by host / protection from natural killer cell mediated cytotoxicity / Recognition and association of DNA glycosylase with site containing an affected pyrimidine / Cleavage of the damaged pyrimidine / antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent / antigen processing and presentation of endogenous peptide antigen via MHC class Ib / Inhibition of DNA recombination at telomere / Meiotic synapsis / positive regulation of interleukin-12 production / RNA Polymerase I Promoter Opening / SH2 domain binding / Assembly of the ORC complex at the origin of replication / negative regulation of angiogenesis / DNA methylation / Condensation of Prophase Chromosomes / Chromatin modifications during the maternal to zygotic transition (MZT) / ERCC6 (CSB) and EHMT2 (G9a) positively regulate rRNA expression / SIRT1 negatively regulates rRNA expression / positive regulation of ferrous iron binding / positive regulation of transferrin receptor binding / PRC2 methylates histones and DNA / early endosome lumen / positive regulation of receptor binding / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / negative regulation of receptor binding / Defective pyroptosis / lumenal side of endoplasmic reticulum membrane / Endosomal/Vacuolar pathway / RNA Polymerase I Promoter Escape / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / Transcriptional regulation by small RNAs / Formation of the beta-catenin:TCF transactivating complex / response to virus / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / cellular response to iron(III) ion / RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function / Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3 / negative regulation of forebrain neuron differentiation / NoRC negatively regulates rRNA expression / ER to Golgi transport vesicle membrane / B-WICH complex positively regulates rRNA expression / response to molecule of bacterial origin / regulation of erythrocyte differentiation / regulation of iron ion transport / MHC class I peptide loading complex
Similarity search - Function
Immunoglobulin domain / Immunoglobulin / Immunoglobulin domain / MHC class I-like antigen recognition-like / Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1 / Histone H2A conserved site / Histone H2A signature. / Histone H2A, C-terminal domain / C-terminus of histone H2A / Histone H2A ...Immunoglobulin domain / Immunoglobulin / Immunoglobulin domain / MHC class I-like antigen recognition-like / Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1 / Histone H2A conserved site / Histone H2A signature. / Histone H2A, C-terminal domain / C-terminus of histone H2A / Histone H2A / Histone 2A / MHC class I alpha chain, alpha1 alpha2 domains / Immunoglobulin subtype 2 / Immunoglobulin C-2 Type / Class I Histocompatibility antigen, domains alpha 1 and 2 / Beta-2-Microglobulin / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily / Histone H2A/H2B/H3 / Core histone H2A/H2B/H3/H4 / MHC classes I/II-like antigen recognition protein / Histone-fold / Immunoglobulin subtype / Immunoglobulin / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulins / Immunoglobulin-like fold / Immunoglobulin-like / Sandwich / 2-Layer Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
IODIDE ION / Leukocyte immunoglobulin-like receptor subfamily B member 1 / Histone H2A / HLA class I histocompatibility antigen, alpha chain G / Beta-2-microglobulin / Leukocyte immunoglobulin-like receptor subfamily B member 1 / Histone H2A.J
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.149 Å
AuthorsKuroki, K. / Matsubara, H. / Kanda, R. / Miyashita, N. / Shiroishi, M. / Fukunaga, Y. / Kamishikiryo, J. / Fukunaga, A. / Hirose, K. / Sugita, Y. ...Kuroki, K. / Matsubara, H. / Kanda, R. / Miyashita, N. / Shiroishi, M. / Fukunaga, Y. / Kamishikiryo, J. / Fukunaga, A. / Hirose, K. / Sugita, Y. / Kita, S. / Ose, T. / Maenaka, K.
Funding support Japan, 3items
OrganizationGrant numberCountry
Japan Agency for Medical Research and Development (AMED)18am0101093j0002 Japan
Japan Society for the Promotion of Science23770102 Japan
Japan Society for the Promotion of Science25870019 Japan
CitationJournal: J Immunol. / Year: 2019
Title: Structural and Functional Basis for LILRB Immune Checkpoint Receptor Recognition of HLA-G Isoforms.
Authors: Kuroki, K. / Matsubara, H. / Kanda, R. / Miyashita, N. / Shiroishi, M. / Fukunaga, Y. / Kamishikiryo, J. / Fukunaga, A. / Fukuhara, H. / Hirose, K. / Hunt, J.S. / Sugita, Y. / Kita, S. / Ose, T. / Maenaka, K.
History
DepositionMay 31, 2019Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Nov 27, 2019Provider: repository / Type: Initial release
Revision 1.1Dec 25, 2019Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.2Nov 22, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: HLA class I histocompatibility antigen, alpha chain G
B: Beta-2-microglobulin
C: Peptide from Histone H2A.J
D: Leukocyte immunoglobulin-like receptor subfamily B member 1
E: HLA class I histocompatibility antigen, alpha chain G
F: Beta-2-microglobulin
G: Peptide from Histone H2A.J
H: Leukocyte immunoglobulin-like receptor subfamily B member 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)135,36516
Polymers134,3508
Non-polymers1,0158
Water0
1
A: HLA class I histocompatibility antigen, alpha chain G
B: Beta-2-microglobulin
C: Peptide from Histone H2A.J
D: Leukocyte immunoglobulin-like receptor subfamily B member 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)67,6838
Polymers67,1754
Non-polymers5084
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
E: HLA class I histocompatibility antigen, alpha chain G
F: Beta-2-microglobulin
G: Peptide from Histone H2A.J
H: Leukocyte immunoglobulin-like receptor subfamily B member 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)67,6838
Polymers67,1754
Non-polymers5084
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)164.378, 164.378, 326.839
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number155
Space group name H-MH32

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Components

#1: Protein HLA class I histocompatibility antigen, alpha chain G / HLA G antigen / MHC class I antigen G


Mass: 32017.492 Da / Num. of mol.: 2 / Mutation: C42S
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-G, HLA-6.0, HLAG / Production host: Escherichia coli (E. coli) / References: UniProt: P17693
#2: Protein Beta-2-microglobulin / Beta-2 microglobulin


Mass: 11879.356 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: B2M / Production host: Escherichia coli (E. coli) / References: UniProt: P61769
#3: Protein/peptide Peptide from Histone H2A.J /


Mass: 1148.424 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: A0A0U1RRH7, UniProt: Q9BTM1*PLUS
#4: Protein Leukocyte immunoglobulin-like receptor subfamily B member 1


Mass: 22129.842 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: LILRB1 / Production host: Escherichia coli (E. coli) / References: UniProt: A0A0G2JQ44, UniProt: Q8NHL6*PLUS
#5: Chemical
ChemComp-IOD / IODIDE ION / Iodide


Mass: 126.904 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: I

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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: 3.16 Å3/Da / Density % sol: 67.21 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop
Details: 0.2M sodium iodide, 0.1M Bis Tris propane (pH 8.5), 20% PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Photon Factory / Beamline: BL-5A / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 210 / Detector: CCD / Date: Mar 9, 2012
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.149→32.806 Å / Num. obs: 29650 / % possible obs: 99.9 % / Redundancy: 7.4 % / Rmerge(I) obs: 0.1 / Net I/σ(I): 11.4
Reflection shellResolution: 3.15→3.26 Å / Rmerge(I) obs: 0.501 / Num. unique obs: 2852

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Processing

Software
NameVersionClassification
PHENIX(1.12_2829: ???)refinement
HKL-2000data reduction
HKL-2000data scaling
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2DYP and 3D2U
Resolution: 3.149→32.806 Å / SU ML: 0.38 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 28.65 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2886 1504 5.09 %
Rwork0.2613 --
obs0.2628 29526 99.4 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.149→32.806 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7974 0 8 0 7982
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0058196
X-RAY DIFFRACTIONf_angle_d1.08111119
X-RAY DIFFRACTIONf_dihedral_angle_d18.9143055
X-RAY DIFFRACTIONf_chiral_restr0.0591149
X-RAY DIFFRACTIONf_plane_restr0.0071437
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.1492-3.25080.40331450.36342426X-RAY DIFFRACTION97
3.2508-3.36680.32361440.30882533X-RAY DIFFRACTION100
3.3668-3.50150.32391360.29882530X-RAY DIFFRACTION100
3.5015-3.66070.30461310.27322544X-RAY DIFFRACTION100
3.6607-3.85340.30911480.27582516X-RAY DIFFRACTION99
3.8534-4.09440.30321200.25352545X-RAY DIFFRACTION100
4.0944-4.40980.27951220.24862556X-RAY DIFFRACTION99
4.4098-4.85230.26981480.22062527X-RAY DIFFRACTION99
4.8523-5.55150.27771420.23992558X-RAY DIFFRACTION100
5.5515-6.98320.27441380.27222589X-RAY DIFFRACTION100
6.9832-32.8080.25451300.25142698X-RAY DIFFRACTION100
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)
14.198-1.9042-3.42214.67672.27039.312-0.38260.4604-0.3955-0.93340.47280.05130.731-0.4362-0.0960.6543-0.2334-0.03290.3799-0.04960.593248.683246.526642.2659
27.5683-1.3045-0.14945.7552.63574.2844-0.39031.0515-1.2967-0.36070.1841-0.41820.86910.34760.19630.8649-0.16460.17660.4803-0.17510.706954.440936.802739.7079
34.4273-0.1231-0.31184.9629-0.46281.4875-0.03070.5020.3266-0.77340.1761-0.4307-0.41610.2208-0.15130.9439-0.24140.03330.437-0.02040.46454.12157.136541.8582
43.05650.89252.52322.74120.50193.20520.11981.0383-0.8758-1.0240.1452-1.14020.02280.2048-0.20661.2152-0.2060.41310.9215-0.11810.63958.831338.751825.1416
54.8204-0.28710.25191.9806-1.89991.7736-0.43041.0956-0.0094-0.77790.22550.27040.4747-0.08860.18661.1084-0.1575-0.02861.0046-0.03040.450429.369540.675216.2326
61.35951.6566-0.9253.73550.96413.0844-0.23880.67860.3478-0.72090.21960.433-0.0783-1.2438-0.10220.8097-0.0906-0.0790.84940.05830.368530.110540.6520.2305
70.4271.00970.2872.94990.6950.1479-0.15171.0341-0.2355-2.0316-0.5427-0.187-0.17990.04090.57151.63810.17530.12672.15370.31630.527333.22141.58287.8108
82.5661-0.6943-0.99582.03261.66490.6788-0.14360.19310.231-0.38391.0399-0.9701-0.6456-0.1019-0.82221.0217-0.1325-0.07880.59520.03040.354931.025346.671535.6249
92.00038.559-7.08519.8084-7.53716.69950.031-0.1548-1.1407-2.2470.3398-1.40891.9529-0.4219-0.29461.1159-0.21610.12850.5782-0.06570.59230.022923.86925.2629
104.152.44682.94538.88951.44592.019-0.2419-0.4692-0.02640.0592-0.1066-0.2146-0.256-0.29690.42710.542-0.13610.09380.47950.03030.344831.975537.964138.2845
115.81640.0483-3.22098.3513-0.5286.0176-0.3868-1.08830.16540.24620.37440.35080.11070.53590.020.7856-0.17760.00310.3925-0.00970.544429.393128.733643.2435
124.0627-0.0230.47960.30531.13314.061-0.11480.1996-0.3485-1.34070.2813-0.4203-0.4639-0.0838-0.15660.7376-0.2341-0.00740.5456-0.00110.329938.603140.190636.1663
139.04224.38224.34698.73621.12155.20020.5195-0.9714-0.60650.4733-0.38820.92410.8469-1.6871-0.19330.6682-0.09830.12820.62640.13610.608121.930330.07635.8137
141.587-1.94363.19933.9564-2.88727.1135-0.8607-0.91890.62421.00960.54950.5588-1.5364-0.94530.25910.81930.03660.16410.5096-0.19240.568524.682247.927544.435
158.362-2.8023-2.71559.32697.65696.2631-0.18410.8334-0.4876-1.4150.21351.0659-0.98570.0375-0.04410.6129-0.0928-0.01440.68390.12760.506522.315335.21530.0408
166.471-4.5325-5.95816.22687.97132.0189-0.58350.14360.06461.06420.5265-1.41991.4758-0.2844-0.04270.87070.01190.09360.4030.1270.566359.682552.928843.7372
171.949-2.80470.17894.4586-1.98267.8651-0.887-0.21620.37710.421-0.0828-0.166-0.9606-1.2770.9930.67160.2182-0.04220.83260.02820.7662-0.214547.715631.2256
180.8361-1.0488-0.09976.20782.35721.05290.07230.60120.2704-2.33810.13430.3820.5134-1.266-0.14790.7942-0.1478-0.16550.9160.01870.55638.734143.515122.0959
193.823-0.9421-1.18242.9719-0.26441.7336-0.36780.67790.6392-0.6029-0.0466-0.0806-0.5104-0.55280.46020.67140.0541-0.13040.72620.14120.67277.683148.23331.2146
205.3737-1.54650.91286.68011.62987.0264-0.74750.32431.2167-0.19620.64550.0578-1.2191-0.21150.02330.9310.0042-0.24770.52050.08650.852518.534861.434736.2796
210.7332-0.99720.19092.7861-2.66713.7052-0.13810.01410.17670.2951-0.2121-0.3603-0.98920.74220.33470.793-0.32330.060.4891-0.00720.792430.89692.596443.2315
224.7635-0.2575.31462.9332-1.7782.0827-0.92530.3785-0.07430.13010.85340.2208-2.24520.66840.02190.9214-0.2180.01220.61080.02210.818224.085212.095344.3164
233.12650.7171-0.84743.7548-1.4471.49820.0718-0.27890.0231-0.19670.2467-0.0847-0.2318-0.0757-0.27430.7006-0.27540.08320.4445-0.06480.572128.5932-4.533149.6849
246.1239-2.21915.62741.4767-0.98217.58230.08410.68850.075-0.4499-0.32910.0004-0.47060.32350.24310.7937-0.2286-0.06280.46540.08360.6524.491-7.928432.3444
252.9782-0.40161.38815.0553-1.38181.79420.06670.045-0.1079-0.46130.18390.93170.2458-0.2249-0.24520.5841-0.22970.00190.4644-0.03580.46323.0881-7.637236.4902
265.845-0.9111-2.05853.8408-0.44525.95370.33490.3406-0.373-0.7848-0.1965-0.03530.33820.7067-0.08820.8708-0.1487-0.03430.5686-0.08660.379847.54735.045616.9606
271.6953-0.43850.34863.9191-0.10820.83770.35511.6214-0.2038-1.1881-0.1725-0.65181.12690.1719-0.3241.2808-0.00170.06470.985-0.18880.424350.68223.274910.1769
287.2314-0.9935-4.37163.92923.08884.8107-0.45142.285-0.514-0.81310.16240.57670.5554-1.21790.31220.9664-0.0742-0.17180.7521-0.01230.483439.20097.59079.3162
292.66511.4595-1.88544.2055-1.85982.63570.6376-0.33830.15610.2435-0.57330.4842-0.63520.6731-0.0290.6961-0.2318-0.03790.5152-0.09560.311248.30959.395431.8371
302.15440.46270.1434.7785-1.8013.52410.3131-0.18510.18520.73340.0890.1672-0.98750.038-0.35050.8388-0.51380.09140.6717-0.1730.511446.065411.855333.9401
312.56652.36110.59692.7520.95730.32060.3088-0.4592-0.51271.4139-0.3561-0.8295-0.7860.5342-0.01770.9482-0.7059-0.10111.1263-0.10830.460949.66787.849943.5102
328.5193-3.732-0.883.9037-3.15347.17610.7853-1.88921.21851.9421-0.1671-0.0618-0.7544-0.3653-0.57541.3665-0.58550.11630.8792-0.17490.848650.787219.32642.6134
337.1725-3.1991.39036.07884.91499.59520.75030.67710.738-1.18730.4565-1.1044-1.37860.2147-1.16920.5938-0.22770.16530.60290.02110.544237.1262-0.116638.2165
341.53460.64730.9592.7780.3880.64420.7823-0.89250.45280.7676-0.20320.1954-0.85050.3929-0.51631.063-0.45130.20010.5777-0.11910.631844.46113.861436.8456
351.2127-1.50620.7198.7219-1.50481.93750.6674-0.69390.39140.1783-0.9135-1.75-0.52860.45810.31940.8973-0.9123-0.2870.9958-0.16280.584456.835111.523537.9058
361.51411.3572-0.42252.15080.71944.75640.2908-0.12-0.23970.0506-0.2802-0.7748-0.96381.0361-0.0080.7973-0.37860.02450.6699-0.00180.565356.12912.073429.1721
374.4376-6.51295.03959.7717-7.37859.4548-0.29650.16640.27051.5795-0.05740.5075-1.38891.2090.35190.6394-0.1791-0.02040.4724-0.07770.607421.3799-5.962546.8329
384.1904-1.35883.63061.9901-1.62693.4791-0.355-0.05620.83530.2879-0.312-1.6829-0.59240.52270.72960.6802-0.3088-0.1521.34860.07241.345770.64613.306427.3594
392.76031.08242.57363.11230.62532.4561-0.2579-1.44940.4805-0.01760.4617-0.03790.55420.8498-0.14251.75970.5719-0.04352.4234-0.55131.059671.542511.626725.7659
402.72880.74410.25954.1333-0.51990.1111-0.82031.74760.8709-0.25450.12512.07330.007-1.04860.63430.6893-0.26550.00991.53030.1471.211466.7233.099528.6274
412.8377-0.6873-0.49011.22280.46062.4431-0.524-0.6282-0.955-0.0001-0.5182-0.48490.22771.29950.88670.5915-0.2898-0.06771.65540.43881.146460.6158-9.326537.9381
421.62-0.72460.12461.32082.07754.9058-0.22340.42730.39030.05040.23760.255-0.21211.5536-0.04010.5169-0.13230.05681.51940.09740.852261.1712-7.751935.1973
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 2 through 28 )
2X-RAY DIFFRACTION2chain 'A' and (resid 29 through 56 )
3X-RAY DIFFRACTION3chain 'A' and (resid 57 through 162 )
4X-RAY DIFFRACTION4chain 'A' and (resid 163 through 185 )
5X-RAY DIFFRACTION5chain 'A' and (resid 186 through 229 )
6X-RAY DIFFRACTION6chain 'A' and (resid 230 through 253 )
7X-RAY DIFFRACTION7chain 'A' and (resid 254 through 274 )
8X-RAY DIFFRACTION8chain 'B' and (resid 0 through 11 )
9X-RAY DIFFRACTION9chain 'B' and (resid 12 through 19 )
10X-RAY DIFFRACTION10chain 'B' and (resid 20 through 41 )
11X-RAY DIFFRACTION11chain 'B' and (resid 42 through 51 )
12X-RAY DIFFRACTION12chain 'B' and (resid 52 through 71 )
13X-RAY DIFFRACTION13chain 'B' and (resid 72 through 83 )
14X-RAY DIFFRACTION14chain 'B' and (resid 84 through 90 )
15X-RAY DIFFRACTION15chain 'B' and (resid 91 through 99 )
16X-RAY DIFFRACTION16chain 'C' and (resid 1 through 9 )
17X-RAY DIFFRACTION17chain 'D' and (resid 5 through 35 )
18X-RAY DIFFRACTION18chain 'D' and (resid 36 through 44 )
19X-RAY DIFFRACTION19chain 'D' and (resid 45 through 124 )
20X-RAY DIFFRACTION20chain 'D' and (resid 125 through 191 )
21X-RAY DIFFRACTION21chain 'E' and (resid 2 through 37 )
22X-RAY DIFFRACTION22chain 'E' and (resid 38 through 56 )
23X-RAY DIFFRACTION23chain 'E' and (resid 57 through 103 )
24X-RAY DIFFRACTION24chain 'E' and (resid 104 through 118 )
25X-RAY DIFFRACTION25chain 'E' and (resid 119 through 185 )
26X-RAY DIFFRACTION26chain 'E' and (resid 186 through 242 )
27X-RAY DIFFRACTION27chain 'E' and (resid 243 through 262 )
28X-RAY DIFFRACTION28chain 'E' and (resid 263 through 275 )
29X-RAY DIFFRACTION29chain 'F' and (resid 0 through 19 )
30X-RAY DIFFRACTION30chain 'F' and (resid 20 through 30 )
31X-RAY DIFFRACTION31chain 'F' and (resid 31 through 41 )
32X-RAY DIFFRACTION32chain 'F' and (resid 42 through 51 )
33X-RAY DIFFRACTION33chain 'F' and (resid 52 through 61 )
34X-RAY DIFFRACTION34chain 'F' and (resid 62 through 71 )
35X-RAY DIFFRACTION35chain 'F' and (resid 72 through 90 )
36X-RAY DIFFRACTION36chain 'F' and (resid 91 through 99 )
37X-RAY DIFFRACTION37chain 'G' and (resid 1 through 9 )
38X-RAY DIFFRACTION38chain 'H' and (resid 9 through 46 )
39X-RAY DIFFRACTION39chain 'H' and (resid 47 through 62 )
40X-RAY DIFFRACTION40chain 'H' and (resid 63 through 74 )
41X-RAY DIFFRACTION41chain 'H' and (resid 75 through 175 )
42X-RAY DIFFRACTION42chain 'H' and (resid 176 through 190 )

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