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- PDB-5e65: The complex structure of Hemagglutinin-esterase-fusion mutant pro... -

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Basic information

Entry
Database: PDB / ID: 5.0E+65
TitleThe complex structure of Hemagglutinin-esterase-fusion mutant protein from the influenza D virus with receptor analog 9-O-Ac-3'SLN (Tr322)
Components(Hemagglutinin- ...) x 2
KeywordsHYDROLASE / influenza virus / HEF / membrane
Function / homology
Function and homology information


sialate O-acetylesterase activity / sialate O-acetylesterase / host cell surface receptor binding / symbiont entry into host cell / 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 / plasma membrane
Similarity search - Function
Ubiquitin Ligase Nedd4; Chain: W; - #20 / Haemagglutinin stalk, influenza C / Influenza C hemagglutinin stalk / Haemagglutinin-esterase glycoprotein, haemagglutinin domain / Haemagglutinin-esterase glycoprotein, core / Hemagglutinin domain of haemagglutinin-esterase-fusion glycoprotein / Hemagglutinin esterase / Ubiquitin Ligase Nedd4; Chain: W; / Hemagglutinin Ectodomain; Chain B - #10 / Hemagglutinin Ectodomain; Chain B ...Ubiquitin Ligase Nedd4; Chain: W; - #20 / Haemagglutinin stalk, influenza C / Influenza C hemagglutinin stalk / Haemagglutinin-esterase glycoprotein, haemagglutinin domain / Haemagglutinin-esterase glycoprotein, core / Hemagglutinin domain of haemagglutinin-esterase-fusion glycoprotein / Hemagglutinin esterase / Ubiquitin Ligase Nedd4; Chain: W; / Hemagglutinin Ectodomain; Chain B - #10 / Hemagglutinin Ectodomain; Chain B / Haemagglutinin / Haemagglutinin, influenzavirus A/B / Viral capsid/haemagglutinin protein / Single Sheet / Alpha-Beta Complex / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
Hemagglutinin-esterase-fusion glycoprotein
Similarity search - Component
Biological speciesInfluenza D virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.2 Å
AuthorsSong, H. / Qi, J. / Shi, Y. / Gao, G.F.
CitationJournal: PLoS Pathog. / Year: 2016
Title: An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism
Authors: Song, H. / Qi, J. / Khedri, Z. / Diaz, S. / Yu, H. / Chen, X. / Varki, A. / Shi, Y. / Gao, G.F.
History
DepositionOct 9, 2015Deposition site: RCSB / Processing site: PDBJ
Revision 1.0Mar 23, 2016Provider: repository / Type: Initial release
Revision 1.1Sep 5, 2018Group: Data collection / Database references / Derived calculations
Category: citation / pdbx_struct_oper_list
Item: _citation.journal_abbrev / _citation.page_first ..._citation.journal_abbrev / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _pdbx_struct_oper_list.symmetry_operation
Revision 2.0Jul 29, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / 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_validate_close_contact / struct_asym / struct_conn / 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.mon_nstd_flag / _chem_comp.name / _chem_comp.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_validate_close_contact.auth_asym_id_1 / _pdbx_validate_close_contact.auth_seq_id_1 / _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.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
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Nov 8, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Hemagglutinin-esterase
B: Hemagglutinin-esterase
C: Hemagglutinin-esterase
D: Hemagglutinin-esterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)134,74716
Polymers127,9374
Non-polymers6,81012
Water12,160675
1
A: Hemagglutinin-esterase
B: Hemagglutinin-esterase
hetero molecules

A: Hemagglutinin-esterase
B: Hemagglutinin-esterase
hetero molecules

A: Hemagglutinin-esterase
B: Hemagglutinin-esterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)203,09424
Polymers191,9066
Non-polymers11,18818
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation5_555z,x,y1
crystal symmetry operation9_555y,z,x1
Buried area46360 Å2
ΔGint90 kcal/mol
Surface area67070 Å2
MethodPISA
2
C: Hemagglutinin-esterase
D: Hemagglutinin-esterase
hetero molecules

C: Hemagglutinin-esterase
D: Hemagglutinin-esterase
hetero molecules

C: Hemagglutinin-esterase
D: Hemagglutinin-esterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)201,14824
Polymers191,9066
Non-polymers9,24218
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation7_454-z-1/2,-x,y-1/21
crystal symmetry operation10_554-y,z+1/2,-x-1/21
Buried area42930 Å2
ΔGint46 kcal/mol
Surface area66880 Å2
MethodPISA
Unit cell
Length a, b, c (Å)164.897, 164.897, 164.897
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number198
Space group name H-MP213

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Components

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Hemagglutinin- ... , 2 types, 4 molecules ACBD

#1: Protein Hemagglutinin-esterase / Hemagglutinin esterase


Mass: 46456.988 Da / Num. of mol.: 2 / Fragment: UNP residues 19-445 / Mutation: S57A, D356A, H359A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza D virus (D/swine/Oklahoma/1334/2011)
Strain: D/swine/Oklahoma/1334/2011 / Gene: HEF / Plasmid: PFASTBAC1 / Cell line (production host): HI5 / Production host: TRICHOPLUSIA NI (cabbage looper) / References: UniProt: K9LG83
#2: Protein Hemagglutinin-esterase / Hemagglutinin esterase


Mass: 17511.521 Da / Num. of mol.: 2 / Fragment: UNP residues 456-621
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza D virus (D/swine/Oklahoma/1334/2011)
Strain: D/swine/Oklahoma/1334/2011 / Gene: HEF / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: K9LG83

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Sugars , 4 types, 12 molecules

#3: Polysaccharide alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-beta-D- ...alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 1072.964 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3[DManpa1-6]DManpa1-6DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,6,5/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-3/a4-b1_b4-c1_c6-d1_d3-e1_d6-f1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(6+1)][a-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{}}}}}}LINUCSPDB-CARE
#4: Polysaccharide
2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 5 / Source method: obtained synthetically
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE
#5: Polysaccharide 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-3)-beta-D- ...9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-3)-beta-D-galactopyranose


Type: oligosaccharide / Mass: 513.448 Da / Num. of mol.: 2 / Source method: obtained synthetically
DescriptorTypeProgram
WURCS=2.0/2,2,1/[a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O_9*OCC/3=O]/1-2/a3-b2WURCSPDB2Glycan 1.1.0
[][b-D-Galp]{[(3+2)][a-D-Neup5Ac9Ac]{}}LINUCSPDB-CARE
#6: 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 / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 2 / Source method: obtained synthetically / 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, 675 molecules

#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 675 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION

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Sample preparation

CrystalDensity Matthews: 2.92 Å3/Da / Density % sol: 57.88 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop
Details: 0.1M PCTP (Propionic acid, Cacodylate, Bis-tris propane system) buffer pH 8.5, 22.5 % w/v PEG 1500

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Oct 1, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.199→50 Å / Num. obs: 75424 / % possible obs: 99.6 % / Redundancy: 9.2 % / Rmerge(I) obs: 0.092 / Rsym value: 0.092 / Net I/σ(I): 24.5
Reflection shellResolution: 2.2→2.28 Å / Redundancy: 7.3 % / Rmerge(I) obs: 0.596 / Mean I/σ(I) obs: 3.4 / Rsym value: 0.596 / % possible all: 96.5

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Processing

Software
NameVersionClassification
PHENIX1.9_1692refinement
HKL-2000data collection
PHASERphasing
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5E5W
Resolution: 2.2→47.602 Å / SU ML: 0.24 / Cross valid method: NONE / σ(F): 1.35 / Phase error: 25.14 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2428 3800 5.04 %
Rwork0.2035 --
obs0.2055 75424 99.53 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.2→47.602 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8700 0 454 675 9829
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0069388
X-RAY DIFFRACTIONf_angle_d1.00512736
X-RAY DIFFRACTIONf_dihedral_angle_d13.2263432
X-RAY DIFFRACTIONf_chiral_restr0.0421442
X-RAY DIFFRACTIONf_plane_restr0.0041608
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.1992-2.22710.29341340.25762480X-RAY DIFFRACTION94
2.2271-2.25640.32261060.25862602X-RAY DIFFRACTION98
2.2564-2.28730.30241520.24672623X-RAY DIFFRACTION99
2.2873-2.31990.29551470.2382616X-RAY DIFFRACTION100
2.3199-2.35460.26841420.22992661X-RAY DIFFRACTION100
2.3546-2.39140.28811420.24042621X-RAY DIFFRACTION100
2.3914-2.43060.29681520.22442619X-RAY DIFFRACTION100
2.4306-2.47250.23931310.22382659X-RAY DIFFRACTION100
2.4725-2.51740.25421460.22962601X-RAY DIFFRACTION100
2.5174-2.56580.29871320.22422680X-RAY DIFFRACTION100
2.5658-2.61820.27571510.22552640X-RAY DIFFRACTION100
2.6182-2.67510.23971330.21792654X-RAY DIFFRACTION100
2.6751-2.73740.26941350.22062643X-RAY DIFFRACTION100
2.7374-2.80580.28331310.22242661X-RAY DIFFRACTION100
2.8058-2.88170.27541480.21412657X-RAY DIFFRACTION100
2.8817-2.96640.25461250.21412657X-RAY DIFFRACTION100
2.9664-3.06220.27331310.22362671X-RAY DIFFRACTION100
3.0622-3.17160.22521310.22132660X-RAY DIFFRACTION100
3.1716-3.29860.24241520.21442663X-RAY DIFFRACTION100
3.2986-3.44860.24491220.20042659X-RAY DIFFRACTION100
3.4486-3.63040.22411250.1892698X-RAY DIFFRACTION100
3.6304-3.85780.2231490.1832661X-RAY DIFFRACTION100
3.8578-4.15550.23351660.16972658X-RAY DIFFRACTION100
4.1555-4.57330.19461620.16542692X-RAY DIFFRACTION100
4.5733-5.23440.20181450.16332684X-RAY DIFFRACTION100
5.2344-6.5920.24351650.19792725X-RAY DIFFRACTION100
6.592-47.61280.23391450.21472779X-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)
10.29760.0464-0.44990.0409-0.1260.6517-0.2897-0.10980.747-0.26910.0742-0.0916-0.862-0.34330.09320.5994-0.0504-0.09440.3161-0.02960.637711.976727.0273-0.0881
20.07540.00340.1180.05420.0670.106-0.0885-0.0246-0.0029-0.1133-0.1089-0.2551-0.04160.1973-00.3752-0.0472-0.01120.32440.01160.37523.380614.4053-7.7811
30.14010.3995-0.28550.31680.56330.12120.0003-0.0102-0.09580.0472-0.0335-0.12130.04070.0633-00.32610.08810.0280.23190.01730.2521.274-12.819-32.161
40.3459-0.05990.30690.8102-0.3392-0.20210.0510.1447-0.0964-0.07970.0503-0.0202-0.02380.02970.00080.30580.08220.03240.27690.02140.2157-3.7909-27.3004-50.4747
50.26230.3119-0.11840.371-0.21990.11920.0549-0.0172-0.12080.06860.03370.3313-0.0885-0.091900.28930.07860.03880.28370.04870.3071-14.5613-29.4198-43.1878
61.302-0.2434-0.35350.07370.06740.1034-0.2552-0.545-0.2565-0.09440.18130.52710.26580.1523-0.0320.3749-0.051-0.09350.2510.06530.6231-21.381-51.367-50.59
70.0321-0.0835-0.03180.29040.00470.1989-0.12510.10480.3356-0.28720.38280.64950.2763-0.34650.00280.4746-0.0285-0.13440.45040.07270.4168-22.46-42.6105-61.6615
80.05440.23980.00860.7528-0.34350.5366-0.0353-0.00860.12210.03180.22090.52840.024-0.30570.040.23390.0311-0.02410.31640.1210.4482-23.5008-41.4718-47.6424
90.5236-0.4517-0.03721.38740.77081.1389-0.10850.04280.0318-0.13740.65131.4850.6329-0.70190.07940.3263-0.0793-0.13510.59840.28830.8505-34.829-40.0323-51.4239
100.19380.1470.10130.10950.06390.20750.16050.1457-0.2033-0.06120.51970.9358-0.1083-0.87160.21360.39310.1261-0.03180.69790.26460.7481-30.5272-32.209-51.87
110.27840.0586-0.19681.1034-0.34430.1295-0.00290.13060.0049-0.13720.08270.2213-0.0249-0.0751-00.30690.07350.01420.27390.04670.2754-12.4366-24.5026-47.5788
120.005-0.2720.18820.17670.23590.4305-0.0112-0.1049-0.02280.06570.0656-0.09460.03390.137800.30210.0490.04460.23570.02490.2185-0.7847-9.2052-33.728
130.01160.17530.23810.0740.12010.4990.01190.01390.0676-0.2076-0.0921-0.09750.0259-0.0498-00.28070.00880.01070.24160.00930.291-6.1-3.335-23.15
140.1472-0.15210.11720.1057-0.1090.0718-0.0316-0.4850.31440.2072-0.1197-0.0436-0.53160.225-00.37-0.10180.00930.4025-0.05680.39716.88716.15-4.246
151.0596-0.2157-0.5580.12860.05060.2563-0.1851-0.6960.37840.1315-0.12050.0462-0.80580.5621-0.06390.6866-0.2039-0.10510.3669-0.08320.502112.954930.13543.0768
160.094-0.07410.43170.48650.59221.2928-0.00830.05260.065-0.05540.0592-0.1714-0.10650.2317-00.2682-0.0070.01520.2740.01930.31847.51936.3387-7.088
170.57370.1051-0.05760.11990.07570.1248-0.27080.2080.80660.63630.0004-0.5373-0.48560.182-0.04550.6899-0.1928-0.25450.5485-0.070.964527.50628.432410.0677
180.87320.3120.21930.10870.26510.61820.0741-0.1723-0.4351-0.0305-0.0550.04010.1967-0.14250.03170.38230.03160.0230.24920.0250.31894.9884-16.2412-74.3374
190.498-0.34630.3140.2355-0.4510.7466-0.00720.1345-0.0517-0.00610.0463-0.04490.17370.103100.2481-0.050.02130.227-0.01930.2263-1.44817.321-47.674
200.14750.2515-0.09290.4421-0.03460.16-0.0867-0.1266-0.00470.08740.0887-0.0171-0.02310.0007-00.2125-0.0384-0.03340.24250.01540.21040.442631.6176-31.4635
210.5297-0.19440.23870.530.40550.2085-0.0734-0.03430.0631-0.02530.12010.05770.0478-0.042800.2536-0.02690.00870.20960.040.2239-11.459234.0524-29.0996
220.0883-0.12130.0650.1382-0.14980.0949-0.0380.08270.0692-0.20310.0820.20550.0492-0.2528-00.2309-0.0314-0.04210.21570.030.2841-20.41230.595-32.76
230.63220.1356-0.10370.6087-0.41280.2209-0.1055-0.21060.23250.14550.18660.1358-0.04420.18930.00460.25110.00920.01770.2434-0.01330.3525-21.502749.3618-25.6954
240.34410.1010.18911.13380.15670.3919-0.14930.03910.1324-0.02580.09690.24760.0516-0.08120.00920.21460.0182-0.01780.24160.05960.3782-25.884246.5571-32.6337
250.79220.07050.03930.51910.18260.0462-0.0999-0.0589-0.00670.00560.05660.4071-0.0482-0.3270.00250.25770.02970.03440.36280.06140.4797-34.886341.979-27.2643
260.8822-0.1723-0.31880.97120.31410.6692-0.02380.00990.037-0.04990.0160.11070.0691-0.06770.00150.1788-0.0253-0.02230.19660.02280.2191-17.754132.5904-34.0791
270.21210.262-0.07530.2991-0.15880.1011-0.0477-0.1598-0.2223-0.14650.0334-0.13910.0470.08800.23530.0135-0.00110.2430.03860.2521-0.992517.6252-27.6935
280.0544-0.10040.10530.21510.09120.1682-0.11950.12020.1101-0.00620.1477-0.06330.13380.168800.299-0.02380.00140.2472-0.04110.2442-1.501716.6493-47.0119
290.0665-0.0349-0.08550.07610.0620.0336-0.14810.2234-0.06710.1674-0.17180.00660.3912-0.0638-0.0020.4098-0.075-0.02930.2983-0.02280.3358-6.1717.657-52.451
300.0147-0.3359-0.30490.14170.39830.1052-0.0637-0.006-0.111-0.0625-0.03780.1516-0.13760.1318-00.3849-0.0180.02880.2804-0.03090.3288-9.0357.083-55.867
310.12710.1653-0.0940.1446-0.13250.0578-0.13890.1035-0.1157-0.23540.08380.1643-0.17720.041900.44210.0267-0.00820.3903-0.02860.28084.342-12.27-74.567
320.48080.23820.08830.3999-0.27790.2460.07010.3015-0.5819-0.309-0.0558-0.00330.71730.21780.05850.54230.0978-0.02410.267-0.06070.527410.8285-26.2454-81.5463
330.6420.22540.24180.21430.06910.37210.0454-0.38750.31080.05780.1841-0.3307-0.02740.1635-00.3683-0.0342-0.03220.43790.02770.383512.9378-7.2745-71.1214
34-0.1135-0.06760.13110.85370.41670.41430.10910.0917-0.1585-0.0889-0.22260.0413-0.1066-0.0827-00.2892-0.02680.01480.3035-0.01520.278-1.50391.9164-69.649
350.26370.1605-0.22840.1482-0.18820.16270.10510.4147-0.2765-0.6746-0.2822-0.53380.62480.3449-0.00080.58050.2310.15720.5912-0.04740.758623.64-22.6226-90.3407
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 3 through 13 )
2X-RAY DIFFRACTION2chain 'A' and (resid 14 through 30 )
3X-RAY DIFFRACTION3chain 'A' and (resid 31 through 57 )
4X-RAY DIFFRACTION4chain 'A' and (resid 58 through 128 )
5X-RAY DIFFRACTION5chain 'A' and (resid 129 through 156 )
6X-RAY DIFFRACTION6chain 'A' and (resid 157 through 166 )
7X-RAY DIFFRACTION7chain 'A' and (resid 167 through 193 )
8X-RAY DIFFRACTION8chain 'A' and (resid 197 through 231)
9X-RAY DIFFRACTION9chain 'A' and (resid 232 through 259 )
10X-RAY DIFFRACTION10chain 'A' and (resid 260 through 284 )
11X-RAY DIFFRACTION11chain 'A' and (resid 285 through 359 )
12X-RAY DIFFRACTION12chain 'A' and (resid 360 through 397 )
13X-RAY DIFFRACTION13chain 'A' and (resid 398 through 415 )
14X-RAY DIFFRACTION14chain 'A' and (resid 416 through 429 )
15X-RAY DIFFRACTION15chain 'B' and (resid 9 through 37 )
16X-RAY DIFFRACTION16chain 'B' and (resid 38 through 135 )
17X-RAY DIFFRACTION17chain 'B' and (resid 136 through 157 )
18X-RAY DIFFRACTION18chain 'C' and (resid 3 through 30 )
19X-RAY DIFFRACTION19chain 'C' and (resid 31 through 57 )
20X-RAY DIFFRACTION20chain 'C' and (resid 58 through 91 )
21X-RAY DIFFRACTION21chain 'C' and (resid 92 through 128 )
22X-RAY DIFFRACTION22chain 'C' and (resid 129 through 146 )
23X-RAY DIFFRACTION23chain 'C' and (resid 147 through 191 )
24X-RAY DIFFRACTION24chain 'C' and ((resid 192 through 193) or (resid 197 through 231 ))
25X-RAY DIFFRACTION25chain 'C' and (resid 232 through 284 )
26X-RAY DIFFRACTION26chain 'C' and (resid 285 through 343 )
27X-RAY DIFFRACTION27chain 'C' and (resid 344 through 366 )
28X-RAY DIFFRACTION28chain 'C' and (resid 367 through 384 )
29X-RAY DIFFRACTION29chain 'C' and (resid 385 through 397 )
30X-RAY DIFFRACTION30chain 'C' and (resid 398 through 415 )
31X-RAY DIFFRACTION31chain 'C' and (resid 416 through 429 )
32X-RAY DIFFRACTION32chain 'D' and (resid 9 through 38 )
33X-RAY DIFFRACTION33chain 'D' and (resid 39 through 68 )
34X-RAY DIFFRACTION34chain 'D' and (resid 69 through 126 )
35X-RAY DIFFRACTION35chain 'D' and (resid 127 through 157 )

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