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- PDB-4n60: Crystal structure of hemagglutinin from an H7N9 influenza virus i... -

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Basic information

Entry
Database: PDB / ID: 4n60
TitleCrystal structure of hemagglutinin from an H7N9 influenza virus in complex with LSTc
Components(Hemagglutinin ...) x 2
KeywordsVIRAL PROTEIN / viral envelope protein / hemagglutinin / viral fusion protein
Function / homology
Function and homology information


viral budding from plasma membrane / clathrin-dependent endocytosis of virus by host cell / host cell surface receptor binding / apical plasma membrane / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / virion membrane / metal ion binding
Similarity search - Function
Hemagglutinin; Chain A, domain 2 / Hemagglutinin Chain A, Domain 2 / Hemagglutinin Ectodomain; Chain B - #10 / Hemagglutinin Ectodomain; Chain B / Hemagglutinin (Ha1 Chain); Chain: A; domain 1 / Haemagglutinin, alpha/beta domain, HA1 chain / Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B ...Hemagglutinin; Chain A, domain 2 / Hemagglutinin Chain A, Domain 2 / Hemagglutinin Ectodomain; Chain B - #10 / Hemagglutinin Ectodomain; Chain B / Hemagglutinin (Ha1 Chain); Chain: A; domain 1 / Haemagglutinin, alpha/beta domain, HA1 chain / Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B / Viral capsid/haemagglutinin protein / Ribbon / Alpha-Beta Complex / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
Biological speciesInfluenza A virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.9032 Å
AuthorsXu, R. / Wilson, I.A.
CitationJournal: Science / Year: 2013
Title: Preferential recognition of avian-like receptors in human influenza A H7N9 viruses.
Authors: Xu, R. / de Vries, R.P. / Zhu, X. / Nycholat, C.M. / McBride, R. / Yu, W. / Paulson, J.C. / Wilson, I.A.
History
DepositionOct 11, 2013Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 18, 2013Provider: repository / Type: Initial release
Revision 2.0Jul 29, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Database references / Derived calculations / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / pdbx_struct_special_symmetry / pdbx_unobs_or_zero_occ_atoms / pdbx_validate_close_contact / struct_asym / struct_conn / struct_ref_seq_dif / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.type_symbol / _chem_comp.name / _chem_comp.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_special_symmetry.label_asym_id / _pdbx_unobs_or_zero_occ_atoms.auth_asym_id / _pdbx_unobs_or_zero_occ_atoms.auth_seq_id / _pdbx_unobs_or_zero_occ_atoms.label_asym_id / _pdbx_unobs_or_zero_occ_atoms.label_seq_id / _pdbx_validate_close_contact.auth_asym_id_2 / _pdbx_validate_close_contact.auth_seq_id_2 / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_role / _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_ref_seq_dif.details
Description: Carbohydrate remediation / Provider: repository / Type: Remediation

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Hemagglutinin HA1
B: Hemagglutinin HA2
C: Hemagglutinin HA1
D: Hemagglutinin HA2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)113,2729
Polymers111,3014
Non-polymers1,9725
Water73941
1
A: Hemagglutinin HA1
B: Hemagglutinin HA2
hetero molecules

A: Hemagglutinin HA1
B: Hemagglutinin HA2
hetero molecules

A: Hemagglutinin HA1
B: Hemagglutinin HA2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)171,45218
Polymers166,9516
Non-polymers4,50112
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation8_544-z,x-1/2,-y-1/21
crystal symmetry operation11_545y+1/2,-z-1/2,-x1
Buried area36330 Å2
ΔGint-110 kcal/mol
Surface area59650 Å2
MethodPISA
2
C: Hemagglutinin HA1
D: Hemagglutinin HA2
hetero molecules

C: Hemagglutinin HA1
D: Hemagglutinin HA2
hetero molecules

C: Hemagglutinin HA1
D: Hemagglutinin HA2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)168,3659
Polymers166,9516
Non-polymers1,4143
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation7_555-z+1/2,-x,y+1/21
crystal symmetry operation10_545-y,z-1/2,-x+1/21
Buried area32980 Å2
ΔGint-149 kcal/mol
Surface area57810 Å2
MethodPISA
Unit cell
Length a, b, c (Å)154.772, 154.772, 154.772
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number198
Space group name H-MP213
Components on special symmetry positions
IDModelComponents
11B-306-

HOH

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Components

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Hemagglutinin ... , 2 types, 4 molecules ACBD

#1: Protein Hemagglutinin HA1


Mass: 34993.559 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Strain: A/Shanghai/2/2013 / Gene: HA, hemagglutinin / Plasmid: pFastbac-HT / Production host: Trichoplusia ni (cabbage looper) / Strain (production host): Hi5 / References: UniProt: R4NN21
#2: Protein Hemagglutinin HA2


Mass: 20656.713 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Strain: A/Shanghai/2/2013 / Gene: HA, hemagglutinin / Plasmid: pFastbac-HT / Production host: Trichoplusia ni (cabbage looper) / Strain (production host): Hi5 / References: UniProt: R4NN21

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Sugars , 3 types, 5 molecules

#3: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 586.542 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2/a4-b1_b4-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}}LINUCSPDB-CARE
#4: Polysaccharide N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose


Type: oligosaccharide / Mass: 471.411 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DNeup5Aca2-6DGalpb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,2,1/[a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2/a6-b2WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-Galp]{[(6+2)][a-D-Neup5Ac]{}}LINUCSPDB-CARE
#5: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 2
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

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Non-polymers , 1 types, 41 molecules

#6: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 41 / Source method: isolated from a natural source / Formula: H2O

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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: 2.78 Å3/Da / Density % sol: 55.69 %
Crystal growTemperature: 295.5 K / Method: vapor diffusion, sitting drop / pH: 8
Details: 17-20% PEG3350, 0.2 M ammonium acetate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295.5K

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Data collection

DiffractionMean temperature: 110 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL12-2 / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 2, 2013 / Details: K-B focusing mirrors
RadiationMonochromator: Liquid nitrogen-cooled double crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionRedundancy: 6.7 % / Number: 183548 / Rmerge(I) obs: 0.106 / Χ2: 1.06 / D res high: 2.9 Å / D res low: 50 Å / Num. obs: 27559 / % possible obs: 99.9
Diffraction reflection shell
Highest resolution (Å)Lowest resolution (Å)% possible obs (%)IDRmerge(I) obsChi squaredRedundancy
6.245099.310.0561.0516.3
4.966.2410010.071.0426.8
4.334.9699.610.0791.0516.5
3.944.3310010.1041.0196.7
3.653.9410010.151.0876.9
3.443.6599.910.1961.0626.3
3.273.4499.910.2771.0876.5
3.123.2710010.4361.0856.7
33.1210010.6261.0696.9
2.9310010.9351.0136.9
ReflectionResolution: 2.9→50 Å / Num. obs: 27559 / % possible obs: 99.9 % / Rmerge(I) obs: 0.106

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Phasing

PhasingMethod: molecular replacement
Phasing MRRfactor: 37.23 / Model details: Phaser MODE: MR_AUTO
Highest resolutionLowest resolution
Rotation2.9 Å46.67 Å
Translation2.9 Å46.67 Å

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Processing

Software
NameVersionClassificationNB
DENZOdata reduction
SCALEPACKdata scaling
PHASER2.1.4phasing
PHENIX1.8.2_1309refinement
PDB_EXTRACT3.11data extraction
Blu-Icedata collection
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.9032→46.666 Å / Occupancy max: 1 / Occupancy min: 1 / SU ML: 0.41 / σ(F): 1.35 / Phase error: 28.62 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2616 1385 5.03 %
Rwork0.223 --
obs0.225 27533 99.85 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 119.499 Å2
Refinement stepCycle: LAST / Resolution: 2.9032→46.666 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7600 0 129 41 7770
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0037888
X-RAY DIFFRACTIONf_angle_d0.73410649
X-RAY DIFFRACTIONf_dihedral_angle_d16.72940
X-RAY DIFFRACTIONf_chiral_restr0.0311168
X-RAY DIFFRACTIONf_plane_restr0.0031398
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.9032-3.0070.34641230.30232606X-RAY DIFFRACTION100
3.007-3.12730.35671470.29142588X-RAY DIFFRACTION100
3.1273-3.26960.38531260.30212625X-RAY DIFFRACTION100
3.2696-3.4420.30271350.26912564X-RAY DIFFRACTION100
3.442-3.65750.30271490.24592566X-RAY DIFFRACTION100
3.6575-3.93980.29631280.22742630X-RAY DIFFRACTION100
3.9398-4.3360.23421400.2062594X-RAY DIFFRACTION100
4.336-4.96280.21791370.18382627X-RAY DIFFRACTION100
4.9628-6.25030.23051420.20812642X-RAY DIFFRACTION100
6.2503-46.67150.23721580.20172706X-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)
13.47474.0654-2.29587.9482-4.38115.43740.1633-0.62740.03740.5033-0.5889-0.504-0.18830.72080.50710.3419-0.0309-0.05690.6202-0.03840.377940.8508-37.8621-18.6749
23.82682.3574-2.37691.5096-1.67121.85980.6614-0.76010.45530.5908-0.49470.49-0.40360.6502-0.22730.6188-0.16840.16570.6724-0.17550.58693.7058-51.970911.5721
34.8630.3681-2.35213.0043-2.25165.0260.08120.0483-0.46750.0407-0.04110.8470.07510.19520.00190.45540.04780.07130.5084-0.16840.5973-10.0908-62.737910.6901
46.191-2.289-0.04178.3153-4.76333.0736-0.0363-0.93010.4491.55490.23680.8538-1.16510.5959-0.09220.9823-0.24670.35010.9946-0.32130.7746-9.9501-63.515925.6276
52.90490.4822-0.89264.5146-2.33353.10540.25190.0685-0.9271-0.0473-0.02221.39530.11480.1587-0.3140.43760.10890.12340.5558-0.09031.265-16.7506-72.461417.2485
62.4425-0.195-1.47971.34961.70783.2982-0.41640.4002-0.2435-0.6418-0.45990.66081.2728-0.01810.66830.79020.2564-0.13380.5606-0.42251.5801-15.5003-78.06438.4149
71.0874-0.1752-0.73965.4146-2.714.08690.0269-0.3552-0.50710.2696-0.6660.68270.16440.50120.79010.52460.05160.10680.7395-0.04980.8824-4.1526-73.227217.3121
81.90570.204-0.48133.7572-1.37383.47030.50470.6469-0.2556-0.3448-0.05251.2777-0.2601-0.3547-0.37950.53920.1852-0.04520.694-0.19910.9287-13.1666-62.58777.5638
94.3311.136-1.67051.8815-0.456.64910.7784-0.46730.48290.444-0.22050.2164-0.54930.06-0.54890.5974-0.17810.09960.6014-0.08260.455415.2275-47.32460.2723
104.81153.8163-2.86526.6931-1.37135.36020.116-0.9499-0.42940.4473-0.5641-1.4563-0.09470.65230.37430.2139-0.0226-0.05310.6721-0.04480.531637.5912-42.0841-14.3797
118.74735.09781.08866.18280.07386.65680.2222-0.41710.38420.4733-0.0939-0.6842-0.40880.7201-0.10450.392-0.1032-0.03450.4081-0.11340.6345.5275-28.2901-23.1581
129.47246.9931-4.12358.0791-4.53744.01320.13170.57431.07940.6790.49330.8658-0.5111-0.2247-0.55930.5166-0.0180.02760.4688-0.08520.841936.1607-25.6852-24.7016
138.01523.4206-2.29413.2780.97143.0650.1838-0.14781.03990.30420.15660.5713-0.3929-0.0872-0.25790.6501-0.0310.11230.5828-0.06270.668610.3434-55.7329-2.8558
143.43593.918-2.36245.149-3.06091.7484-0.16380.0092-0.0076-0.3278-0.0404-0.23510.09690.17740.13270.5414-0.10130.03840.5174-0.05030.43131.4182-44.5624-23.727
155.6022-0.5204-0.71045.1120.15995.76020.03960.05440.8541-0.91260.0256-0.6292-0.61970.0335-0.13370.6861-0.19660.05710.46860.05850.841347.6496-15.6468-41.1566
161.19990.0165-0.88660.0045-0.18250.59670.2411.1942-0.3345-1.580.051-1.0741-0.06140.431-0.12021.79520.39230.70251.837-0.64351.105344.2301-37.792811.3412
175.3431-0.27371.14164.8951.50893.50410.916-0.35160.50440.12-0.5279-0.00630.5706-0.6676-0.35040.7862-0.1540.0610.9221-0.27510.63618.5435-26.134233.2358
180.22370.4193-0.22821.28770.20350.4257-0.10410.6-0.3973-0.57390.1748-0.7675-0.01410.31650.05561.57970.6761.53531.8804-0.91141.543353.4901-43.23796.7938
192.02931.1094-0.32790.98470.02590.159-0.80680.2069-0.9889-0.1585-0.2928-0.56241.65890.94140.92551.96890.82140.74823.0795-0.62762.28583.1138-62.7294-9.8463
200.4436-0.26420.28480.162-0.170.18290.47480.5230.1847-0.2138-0.28370.3021-0.1881-0.275-0.05872.36750.20341.09592.9618-1.36592.745971.8164-58.7801-12.7953
214.5063.0842-4.80762.1086-3.28665.1253-0.0198-0.27540.35130.0791-0.04490.4807-0.1434-0.2021-0.06212.9030.9640.66192.8005-0.59982.137577.932-65.8166-21.3062
225.6333-2.53921.05037.0576-1.87250.7997-0.5378-0.80760.05010.09160.29340.29410.3685-0.23880.14451.6683-0.15290.57412.8603-1.07081.732659.2921-62.7119-4.4991
234.0217-2.121-2.56053.88582.48575.21750.26090.68590.2836-0.02140.1508-0.4261-0.135-0.578-0.61171.31020.21070.16861.5426-0.31011.05743.1025-41.698918.5322
241.0031-0.3258-0.54270.92840.91741.1022-0.48670.6355-0.7284-0.7391-0.1887-0.64160.68030.13-0.12011.96120.77351.7661.6241-0.73331.734462.5809-57.237210.7359
254.24455.59443.81067.72445.5184.1148-0.09450.351-0.7843-0.5454-0.0841-0.12810.49570.19880.2213.42211.30430.70052.9652-1.41153.344283.5472-76.7916-12.0201
261.4560.88561.00320.5460.65020.8681-0.0261-0.43020.19550.380.01180.2667-0.2544-0.46540.04072.84991.12131.12923.0265-1.07442.540483.6548-76.2221-21.1656
270.42860.21590.40131.7051.76992.18240.07450.32270.4382-0.08430.2012-0.4974-0.24120.7131-0.23012.53060.85860.54732.9983-1.06252.326374.1648-73.0826-23.9102
280.2518-0.269-0.05290.28420.05950.0119-0.9497-0.4697-0.30750.91520.46850.30880.85220.19730.35571.98010.28370.57413.316-1.53372.189973.987-81.9865-21.4612
291.76181.01060.5461.06141.00631.3106-0.1935-0.5557-0.50040.23790.3424-0.28210.23820.9952-0.02092.76760.92030.68083.364-0.82181.90188.4936-86.0076-20.1059
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 11 through 41 )
2X-RAY DIFFRACTION2chain 'A' and (resid 42 through 99 )
3X-RAY DIFFRACTION3chain 'A' and (resid 100 through 132 )
4X-RAY DIFFRACTION4chain 'A' and (resid 133 through 153 )
5X-RAY DIFFRACTION5chain 'A' and (resid 154 through 195 )
6X-RAY DIFFRACTION6chain 'A' and (resid 196 through 214 )
7X-RAY DIFFRACTION7chain 'A' and (resid 215 through 237 )
8X-RAY DIFFRACTION8chain 'A' and (resid 238 through 269 )
9X-RAY DIFFRACTION9chain 'A' and (resid 270 through 308 )
10X-RAY DIFFRACTION10chain 'A' and (resid 309 through 327 )
11X-RAY DIFFRACTION11chain 'B' and (resid 4 through 22 )
12X-RAY DIFFRACTION12chain 'B' and (resid 23 through 54 )
13X-RAY DIFFRACTION13chain 'B' and (resid 55 through 74 )
14X-RAY DIFFRACTION14chain 'B' and (resid 75 through 137 )
15X-RAY DIFFRACTION15chain 'B' and (resid 138 through 172 )
16X-RAY DIFFRACTION16chain 'C' and (resid 11 through 114 )
17X-RAY DIFFRACTION17chain 'C' and (resid 115 through 269 )
18X-RAY DIFFRACTION18chain 'C' and (resid 270 through 327 )
19X-RAY DIFFRACTION19chain 'D' and (resid 4 through 13 )
20X-RAY DIFFRACTION20chain 'D' and (resid 14 through 22 )
21X-RAY DIFFRACTION21chain 'D' and (resid 23 through 37 )
22X-RAY DIFFRACTION22chain 'D' and (resid 38 through 54 )
23X-RAY DIFFRACTION23chain 'D' and (resid 55 through 74 )
24X-RAY DIFFRACTION24chain 'D' and (resid 75 through 126 )
25X-RAY DIFFRACTION25chain 'D' and (resid 127 through 137 )
26X-RAY DIFFRACTION26chain 'D' and (resid 138 through 145 )
27X-RAY DIFFRACTION27chain 'D' and (resid 146 through 153 )
28X-RAY DIFFRACTION28chain 'D' and (resid 154 through 162 )
29X-RAY DIFFRACTION29chain 'D' and (resid 163 through 172 )

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