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- PDB-4en3: Crystal structure of a human Valpha24(-) NKT TCR in complex with ... -

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Basic information

Entry
Database: PDB / ID: 4en3
TitleCrystal structure of a human Valpha24(-) NKT TCR in complex with CD1d/alpha-galactosylceramide
Components
  • (HUMAN NKT TCR ...) x 2
  • Antigen-presenting glycoprotein CD1d
  • Beta-2-microglobulin
KeywordsIMMUNE SYSTEM / Immunoglobulin-like / MHC class I-like / Antigen presentation-recognition / Membrane
Function / homology
Function and homology information


lipid antigen binding / exogenous lipid antigen binding / antigen processing and presentation, endogenous lipid antigen via MHC class Ib / lipopeptide binding / T cell selection / endogenous lipid antigen binding / antigen processing and presentation, exogenous lipid antigen via MHC class Ib / positive regulation of innate immune response / heterotypic cell-cell adhesion / beta-2-microglobulin binding ...lipid antigen binding / exogenous lipid antigen binding / antigen processing and presentation, endogenous lipid antigen via MHC class Ib / lipopeptide binding / T cell selection / endogenous lipid antigen binding / antigen processing and presentation, exogenous lipid antigen via MHC class Ib / positive regulation of innate immune response / heterotypic cell-cell adhesion / beta-2-microglobulin binding / immune system process / detection of bacterium / positive regulation of T cell proliferation / cell adhesion molecule binding / : / : / positive regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / negative regulation of receptor binding / DAP12 interactions / cellular response to iron ion / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / peptide antigen assembly with MHC class II protein complex / cellular response to iron(III) ion / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / MHC class II protein complex / negative regulation of forebrain neuron differentiation / ER to Golgi transport vesicle membrane / peptide antigen assembly with MHC class I protein complex / regulation of erythrocyte differentiation / regulation of iron ion transport / MHC class I peptide loading complex / response to molecule of bacterial origin / HFE-transferrin receptor complex / T cell mediated cytotoxicity / antigen processing and presentation of endogenous peptide antigen via MHC class I / positive regulation of T cell cytokine production / antigen processing and presentation of exogenous peptide antigen via MHC class II / MHC class I protein complex / positive regulation of immune response / peptide antigen binding / negative regulation of neurogenesis / positive regulation of T cell mediated cytotoxicity / positive regulation of receptor-mediated endocytosis / multicellular organismal-level iron ion homeostasis / positive regulation of T cell activation / cellular response to nicotine / specific granule lumen / recycling endosome membrane / phagocytic vesicle membrane / positive regulation of cellular senescence / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / negative regulation of epithelial cell proliferation / Interferon gamma signaling / MHC class II protein complex binding / positive regulation of protein binding / Modulation by Mtb of host immune system / late endosome membrane / sensory perception of smell / tertiary granule lumen / DAP12 signaling / negative regulation of neuron projection development / iron ion transport / T cell differentiation in thymus / ER-Phagosome pathway / protein refolding / early endosome membrane / basolateral plasma membrane / protein homotetramerization / adaptive immune response / amyloid fibril formation / intracellular iron ion homeostasis / learning or memory / lysosome / endosome membrane / immune response / Amyloid fiber formation / endoplasmic reticulum lumen / Golgi membrane / external side of plasma membrane / lysosomal membrane / innate immune response / focal adhesion / Neutrophil degranulation / endoplasmic reticulum membrane / SARS-CoV-2 activates/modulates innate and adaptive immune responses / structural molecule activity / cell surface / endoplasmic reticulum / Golgi apparatus / protein homodimerization activity / extracellular space / extracellular exosome / extracellular region / metal ion binding / identical protein binding / membrane / plasma membrane
Similarity search - Function
: / : / MHC-I family domain / T-cell receptor alpha chain, constant domain / Domain of unknown function (DUF1968) / MHC class I-like antigen recognition-like / Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1 / Immunoglobulin V-Type / Beta-2-Microglobulin / : ...: / : / MHC-I family domain / T-cell receptor alpha chain, constant domain / Domain of unknown function (DUF1968) / MHC class I-like antigen recognition-like / Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1 / Immunoglobulin V-Type / Beta-2-Microglobulin / : / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily / Immunoglobulin V-set domain / MHC classes I/II-like antigen recognition protein / Immunoglobulin V-set domain / : / 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 / Immunoglobulin-like fold / Immunoglobulins / Immunoglobulin-like / Sandwich / 2-Layer Sandwich / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
Chem-AGH / alpha-L-fucopyranose / Human nkt tcr alpha chain / Human nkt tcr beta chain / Antigen-presenting glycoprotein CD1d / Beta-2-microglobulin
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.568 Å
AuthorsLopez-Sagaseta, J. / Adams, E.J.
CitationJournal: Plos Biol. / Year: 2012
Title: The Molecular Basis for Recognition of CD1d/alpha-Galactosylceramide by a Human Non-Valpha24 T Cell Receptor Struct. Title
Authors: Lopez-Sagaseta, J. / Kung, J.E. / Savage, P.B. / Gumperz, J. / Adams, E.J.
History
DepositionApr 12, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 31, 2012Provider: repository / Type: Initial release
Revision 1.1Jul 10, 2013Group: Database references
Revision 1.2Nov 15, 2017Group: Advisory / Refinement description / Category: pdbx_unobs_or_zero_occ_atoms / software
Item: _pdbx_unobs_or_zero_occ_atoms.label_asym_id / _software.name
Revision 1.3Jan 24, 2018Group: Structure summary / Category: audit_author / Item: _audit_author.name
Revision 1.4Jul 29, 2020Group: Advisory / Data collection ...Advisory / Data collection / Database references / Derived calculations / Structure summary
Category: chem_comp / database_PDB_caveat ...chem_comp / database_PDB_caveat / entity / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / struct_conn / struct_ref_seq_dif / struct_site / struct_site_gen
Item: _chem_comp.name / _chem_comp.type ..._chem_comp.name / _chem_comp.type / _entity.pdbx_description / _pdbx_entity_nonpoly.name / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_seq_id / _struct_ref_seq_dif.details
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 1.5Sep 13, 2023Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.6Dec 27, 2023Group: Derived calculations / Category: struct_conn / struct_conn_type
Revision 1.7Oct 30, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
C: Antigen-presenting glycoprotein CD1d
A: HUMAN NKT TCR ALPHA CHAIN
B: HUMAN NKT TCR BETA CHAIN
D: Beta-2-microglobulin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)100,36113
Polymers98,0484
Non-polymers2,3139
Water1,820101
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area12450 Å2
ΔGint-44 kcal/mol
Surface area36090 Å2
MethodPISA
Unit cell
Length a, b, c (Å)57.112, 72.573, 113.747
Angle α, β, γ (deg.)90.00, 103.31, 90.00
Int Tables number4
Space group name H-MP1211

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Components

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Protein , 2 types, 2 molecules CD

#1: Protein Antigen-presenting glycoprotein CD1d / R3G1


Mass: 32366.418 Da / Num. of mol.: 1 / Fragment: UNP residues 21-295
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CD1D / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P15813
#4: Protein Beta-2-microglobulin


Mass: 11845.275 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: P61769

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HUMAN NKT TCR ... , 2 types, 2 molecules AB

#2: Protein HUMAN NKT TCR ALPHA CHAIN


Mass: 24517.008 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: K7N5M3*PLUS
#3: Protein HUMAN NKT TCR BETA CHAIN / Beta-2-microglobulin form pI 5.3


Mass: 29319.465 Da / Num. of mol.: 1 / Fragment: UNP residues 21-119
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: B2M, CDABP0092, HDCMA22P / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: K7N5M4*PLUS

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Sugars , 3 types, 7 molecules

#5: Sugar
ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 5
Source method: isolated from a genetically manipulated source
Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0
#6: Sugar ChemComp-AGH / N-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE


Type: D-saccharide / Mass: 858.322 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Formula: C50H99NO9
#7: Sugar ChemComp-FUC / alpha-L-fucopyranose / alpha-L-fucose / 6-deoxy-alpha-L-galactopyranose / L-fucose / fucose


Type: L-saccharide, alpha linking / Mass: 164.156 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Formula: C6H12O5
IdentifierTypeProgram
LFucpaCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
a-L-fucopyranoseCOMMON NAMEGMML 1.0
a-L-FucpIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
FucSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 2 types, 103 molecules

#8: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O3
#9: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 101 / Source method: isolated from a natural source / Formula: H2O

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Details

Has protein modificationY

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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: 2.34 Å3/Da / Density % sol: 47.43 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop / pH: 5
Details: 17 % PEG 4000, 0.1 M ammnonium acetate, 0.1 M sodium acetate pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å
DetectorType: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Oct 29, 2011
RadiationMonochromator: C(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97872 Å / Relative weight: 1
ReflectionResolution: 2.42→50 Å / Num. obs: 33787 / Redundancy: 3.8 % / Rsym value: 0.067 / Net I/σ(I): 20.77
Reflection shellResolution: 2.42→2.46 Å / Redundancy: 3.5 % / Mean I/σ(I) obs: 1.62 / Rsym value: 0.655

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassificationNB
PHASERphasing
PHENIX1.8_1069refinement
PDB_EXTRACT3.11data extraction
HKL-2000data collection
DENZOdata reduction
SCALEPACKdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRIES 1ZT4 and 2EYS
Resolution: 2.568→44.008 Å / Occupancy max: 1 / Occupancy min: 1 / SU ML: 0.35 / σ(F): 1.35 / Phase error: 30.61 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2664 1470 5.09 %
Rwork0.2083 --
obs0.2113 28877 99.13 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parameters
Baniso -1Baniso -2Baniso -3
1--3.4995 Å20 Å2-2.5355 Å2
2--19.523 Å20 Å2
3----16.0235 Å2
Refinement stepCycle: LAST / Resolution: 2.568→44.008 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6128 0 152 101 6381
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0026444
X-RAY DIFFRACTIONf_angle_d0.578751
X-RAY DIFFRACTIONf_dihedral_angle_d14.3022295
X-RAY DIFFRACTIONf_chiral_restr0.039973
X-RAY DIFFRACTIONf_plane_restr0.0021104
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.5675-2.65040.31381130.26972299X-RAY DIFFRACTION92
2.6504-2.74510.34391320.25722470X-RAY DIFFRACTION100
2.7451-2.8550.32491380.24622493X-RAY DIFFRACTION100
2.855-2.98490.36871460.2332494X-RAY DIFFRACTION100
2.9849-3.14220.2811240.23222505X-RAY DIFFRACTION100
3.1422-3.3390.28191420.21022492X-RAY DIFFRACTION100
3.339-3.59670.27231350.20422495X-RAY DIFFRACTION100
3.5967-3.95850.241340.20292517X-RAY DIFFRACTION100
3.9585-4.53080.26911110.18192545X-RAY DIFFRACTION100
4.5308-5.70630.24871330.18752538X-RAY DIFFRACTION100
5.7063-44.01480.23431620.21522559X-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)
11.47960.29050.83022.59522.6257.85570.0605-0.3768-0.33790.2625-0.1107-0.09240.404-0.28760.09690.381-0.06490.02280.39370.04630.3923-0.30110.2954-0.6373
22.9008-0.42050.17482.29781.72962.22970.02210.00410.2503-0.2987-0.2052-0.0913-0.4590.2498-0.97980.4524-0.0795-0.02020.33070.03750.36493.804913.4881-2.1992
31.05970.3222-0.4188-0.19820.65231.2738-0.00680.68410.2473-0.1666-0.0608-0.1435-0.4124-0.2901-0.00080.50580.0116-0.00760.55570.02370.3465-21.22980.8447-29.1957
40.8444-0.91880.07411.72480.37171.2146-0.02650.0051-0.1066-0.2210.0181-0.12450.19830.1011-00.339-0.05960.01040.40430.04710.40224.69091.392823.2683
50.28580.0664-0.68560.80680.25090.7356-0.1759-0.5421-0.0899-0.30.2393-0.01380.6220.74050.00290.430.13340.02880.62590.10580.586436.4214-10.714351.8231
60.0038-0.01510.00570.0748-0.01740.00310.0732-0.1466-0.10180.0880.7091-0.18960.14520.71170.00040.90090.1233-0.13811.1172-0.02821.016441.3009-20.011949.8382
70.9130.0872-0.03260.2177-0.39970.8756-0.0513-0.9820.1373-0.0867-0.4781-0.5386-0.6791-0.0604-0.05450.71820.099-0.02490.40750.04210.462811.52859.324543.2645
80.5942-0.23530.45220.2029-0.34630.55840.0012-0.0842-0.19480.14590.17810.1146-0.266-0.40010.00010.4784-0.03240.08270.45670.05630.36235.6127.327432.5723
90.1345-0.0730.10550.2155-0.2340.2112-0.1278-0.23510.09651.3062-0.07290.7151-0.4827-0.3992-0.00220.5130.14910.01560.5101-0.01250.520.73912.815333.8734
10-0.0077-0.0822-0.01140.0984-0.12690.0482-0.38330.43620.1074-0.59230.53740.08970.5842-0.69310.00020.4408-0.04460.03010.60180.05520.32354.22580.875439.1766
110.8364-0.9393-0.15170.71960.34810.33930.2048-0.23640.125-0.0796-0.09710.1538-0.04150.25860.0030.3086-0.1448-0.07420.27590.08760.288811.62496.85634.7461
120.3114-0.4233-0.52750.43810.77411.20760.0945-0.8450.48470.33180.3361-0.3317-0.06780.24820.03010.3583-0.0912-0.14230.5134-0.03320.691830.9826-1.16757.2044
131.26020.60680.67810.36040.3490.729-0.07340.7429-1.18640.35580.56140.0306-0.65410.46320.04760.55030.09770.02010.24030.03050.816417.232-11.490551.0998
140.2507-0.2725-0.35940.43850.42730.60290.0579-0.46390.15680.1310.4178-0.3952-0.2994-0.23890.21390.3397-0.0382-0.01870.6201-0.10340.707926.54272.935259.3616
150.47521.5418-0.48794.6174-1.38850.58940.6305-0.70120.7966-0.33350.50641.47510.06140.26850.27710.4772-0.00910.11410.5489-0.13140.13314.85791.189763.5711
160.2299-0.36770.5020.602-0.79880.99440.4951-0.58060.28830.1486-0.17180.40980.35520.05220.23990.3131-0.03470.06550.4651-0.29470.6165-23.52674.4229-7.3325
170.0239-0.02510.010.06730.03010.0146-0.20280.4359-0.3412-0.492-0.3679-0.1795-0.1786-0.5790.00020.61430.0245-0.03220.431-0.14370.5692-26.126-13.6686-23.9858
180.1790.0018-0.03410.0050.05370.0220.2654-0.6546-0.02810.3117-0.0635-0.05050.0413-0.42680.00020.425-0.0767-0.08910.4586-0.03920.3508-21.7877-6.0919-13.6894
191.57020.55930.34061.04760.12880.05360.025-0.6751-0.64260.766-0.33280.06790.4002-0.1666-0.00370.3443-0.22390.15560.9979-0.18130.3021-22.1395-2.6821-1.2624
200.0243-0.00380.04070.0412-0.04130.0607-0.3162-0.0165-0.39210.2580.48810.51490.36550.3389-0.00010.6165-0.10240.08960.8136-0.14190.6591-26.1604-14.9683-5.8157
210.04120.15430.0070.0984-0.04030.07280.2211-0.27060.5014-0.2288-0.36410.41460.0205-0.3069-0.00020.3409-0.00020.00850.21190.00920.3302-11.01965.4015-6.6446
220.0581-0.0646-0.17370.270.010.3120.124-0.6818-0.1935-0.3644-0.30360.2203-0.2694-0.25960.00010.5388-0.0968-0.06230.39670.00580.4792-24.12-10.2643-12.832
230.2293-0.21010.40250.3822-0.25630.91170.4055-0.85250.40310.5786-0.28280.49990.323-0.25590.06090.5192-0.29150.17230.7952-0.43520.576-28.7643-1.5444-1.8486
240.4533-0.34410.70290.8956-0.5951.13940.3678-0.3145-1.0583-0.5310.17541.8876-0.0564-0.51910.08370.39550.01270.00771.1626-0.01650.648-32.8767-4.9949-14.7546
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'C' and (resid 8 through 103 )
2X-RAY DIFFRACTION2chain 'C' and (resid 104 through 176 )
3X-RAY DIFFRACTION3chain 'C' and (resid 177 through 277 )
4X-RAY DIFFRACTION4chain 'A' and (resid 8 through 111 )
5X-RAY DIFFRACTION5chain 'A' and (resid 112 through 187 )
6X-RAY DIFFRACTION6chain 'A' and (resid 188 through 201 )
7X-RAY DIFFRACTION7chain 'B' and (resid 2 through 14 )
8X-RAY DIFFRACTION8chain 'B' and (resid 15 through 59 )
9X-RAY DIFFRACTION9chain 'B' and (resid 60 through 75 )
10X-RAY DIFFRACTION10chain 'B' and (resid 76 through 94 )
11X-RAY DIFFRACTION11chain 'B' and (resid 95 through 121 )
12X-RAY DIFFRACTION12chain 'B' and (resid 122 through 174 )
13X-RAY DIFFRACTION13chain 'B' and (resid 175 through 191 )
14X-RAY DIFFRACTION14chain 'B' and (resid 192 through 226 )
15X-RAY DIFFRACTION15chain 'B' and (resid 227 through 242 )
16X-RAY DIFFRACTION16chain 'D' and (resid 1 through 11 )
17X-RAY DIFFRACTION17chain 'D' and (resid 12 through 19 )
18X-RAY DIFFRACTION18chain 'D' and (resid 20 through 30 )
19X-RAY DIFFRACTION19chain 'D' and (resid 31 through 41 )
20X-RAY DIFFRACTION20chain 'D' and (resid 42 through 51 )
21X-RAY DIFFRACTION21chain 'D' and (resid 52 through 61 )
22X-RAY DIFFRACTION22chain 'D' and (resid 62 through 77 )
23X-RAY DIFFRACTION23chain 'D' and (resid 78 through 90 )
24X-RAY DIFFRACTION24chain 'D' and (resid 91 through 99 )

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