PDB-4wst: The crystal structure of hemagglutinin from A/Taiwan/1/2013 influ...

ID or keywords:

Entry

Database: PDB / ID: 4wst

Title

The crystal structure of hemagglutinin from A/Taiwan/1/2013 influenza virus

Components

Hemagglutinin HA1 chain
Hemagglutinin HA2 chain

Keywords

VIRAL PROTEIN /

Hemagglutinin /

influenza virus / H6

Function / homology

Function and homology information

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
Similarity search - Function

Biological species

Influenza A virus

Method

X-RAY DIFFRACTION /

SYNCHROTRON / Resolution: 2.4 Å

Authors

Yang, H. / Carney, P.J. / Chang, J. / Villanueva, J.M. / Stevens, J.

Citation

Journal: J.Virol. / Year: 2015
Title: Structure and receptor binding preferences of recombinant hemagglutinins from avian and human h6 and h10 influenza a virus subtypes.
Authors: Yang, H. / Carney, P.J. / Chang, J.C. / Villanueva, J.M. / Stevens, J.

History

Deposition	Oct 28, 2014	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 25, 2015	Provider: repository / Type: Initial release
Revision 1.1	Apr 1, 2015	Group: Database references
Revision 1.2	Jul 29, 2020	Group: Advisory / Data collection ...Advisory / Data collection / Database references / Derived calculations / Source and taxonomy / Structure summary Category: chem_comp / citation ...chem_comp / citation / database_PDB_caveat / entity / entity_src_gen / pdbx_chem_comp_identifier / pdbx_entity_nonpoly / pdbx_struct_oper_list / struct_conn / struct_site / struct_site_gen Item: _chem_comp.name / _chem_comp.type ..._chem_comp.name / _chem_comp.type / _citation.journal_id_CSD / _entity.pdbx_description / _entity_src_gen.pdbx_alt_source_flag / _pdbx_entity_nonpoly.name / _pdbx_struct_oper_list.symmetry_operation / _struct_conn.pdbx_role Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 1.3	Dec 27, 2023	Group: 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 / struct_ncs_dom_lim Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ws/4wst ftp://data.pdbj.org/pub/pdb/validation_reports/ws/4wst	HTTPS FTP

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Related structure data

Related structure data	4wsrC 4wssC 4wsuC 4wsvC 4wswC 4wsxC C: citing same article (ref.)
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#76 - Apr 2006 Hemagglutinin similarity (6) #170 - Feb 2014 Broadly Neutralizing Antibodies similarity (5) #259 - Jul 2021 Designed Proteins and Citizen Science similarity (5) #62 - Feb 2005 Major Histocompatibility Complex similarity (5) #63 - Mar 2005 T-Cell Receptor similarity (5) #200 - Aug 2016 Quasisymmetry in Icosahedral Viruses similarity (1)

Deposited unit

A: Hemagglutinin HA1 chain

B: Hemagglutinin HA2 chain

C: Hemagglutinin HA1 chain

D: Hemagglutinin HA2 chain

E: Hemagglutinin HA1 chain

F: Hemagglutinin HA2 chain

G: Hemagglutinin HA1 chain

H: Hemagglutinin HA2 chain

I: Hemagglutinin HA1 chain

J: Hemagglutinin HA2 chain

K: Hemagglutinin HA1 chain

L: Hemagglutinin HA2 chain

hetero molecules

353 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Hemagglutinin HA1 chain

B: Hemagglutinin HA2 chain

G: Hemagglutinin HA1 chain

H: Hemagglutinin HA2 chain

I: Hemagglutinin HA1 chain

J: Hemagglutinin HA2 chain

hetero molecules

defined by author&software
176 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Hemagglutinin HA1 chain

D: Hemagglutinin HA2 chain

E: Hemagglutinin HA1 chain

F: Hemagglutinin HA2 chain

K: Hemagglutinin HA1 chain

L: Hemagglutinin HA2 chain

hetero molecules

defined by author&software
176 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	226.630, 100.612, 175.477
Angle α, β, γ (deg.)	90.00, 99.66, 90.00
Int Tables number	5
Space group name H-M	C121

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Component-ID: 0 / Refine code: 0

Dom-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	SER	SER	PRO	PRO	A	A	0 - 324	5 - 329
2	1	SER	SER	PRO	PRO	C	C	0 - 324	5 - 329
1	2	SER	SER	PRO	PRO	A	A	0 - 324	5 - 329
2	2	SER	SER	PRO	PRO	E	E	0 - 324	5 - 329
1	3	SER	SER	PRO	PRO	A	A	0 - 324	5 - 329
2	3	SER	SER	PRO	PRO	G	G	0 - 324	5 - 329
1	4	SER	SER	PRO	PRO	A	A	0 - 324	5 - 329
2	4	SER	SER	PRO	PRO	I	I	0 - 324	5 - 329
1	5	SER	SER	PRO	PRO	A	A	0 - 324	5 - 329
2	5	SER	SER	PRO	PRO	K	K	0 - 324	5 - 329
1	6	GLY	GLY	LEU	LEU	B	B	1 - 168	1 - 168
2	6	GLY	GLY	LEU	LEU	D	D	1 - 168	1 - 168
1	7	GLY	GLY	LEU	LEU	B	B	1 - 168	1 - 168
2	7	GLY	GLY	LEU	LEU	F	F	1 - 168	1 - 168
1	8	GLY	GLY	LEU	LEU	B	B	1 - 168	1 - 168
2	8	GLY	GLY	LEU	LEU	H	H	1 - 168	1 - 168
1	9	GLY	GLY	LEU	LEU	B	B	1 - 168	1 - 168
2	9	GLY	GLY	LEU	LEU	J	J	1 - 168	1 - 168
1	10	GLY	GLY	LEU	LEU	B	B	1 - 168	1 - 168
2	10	GLY	GLY	LEU	LEU	L	L	1 - 168	1 - 168
1	11	SER	SER	PRO	PRO	C	C	0 - 324	5 - 329
2	11	SER	SER	PRO	PRO	E	E	0 - 324	5 - 329
1	12	SER	SER	PRO	PRO	C	C	0 - 324	5 - 329
2	12	SER	SER	PRO	PRO	G	G	0 - 324	5 - 329
1	13	SER	SER	PRO	PRO	C	C	0 - 324	5 - 329
2	13	SER	SER	PRO	PRO	I	I	0 - 324	5 - 329
1	14	SER	SER	PRO	PRO	C	C	0 - 324	5 - 329
2	14	SER	SER	PRO	PRO	K	K	0 - 324	5 - 329
1	15	GLY	GLY	LEU	LEU	D	D	1 - 168	1 - 168
2	15	GLY	GLY	LEU	LEU	F	F	1 - 168	1 - 168
1	16	GLY	GLY	LEU	LEU	D	D	1 - 168	1 - 168
2	16	GLY	GLY	LEU	LEU	H	H	1 - 168	1 - 168
1	17	GLY	GLY	LEU	LEU	D	D	1 - 168	1 - 168
2	17	GLY	GLY	LEU	LEU	J	J	1 - 168	1 - 168
1	18	GLY	GLY	LEU	LEU	D	D	1 - 168	1 - 168
2	18	GLY	GLY	LEU	LEU	L	L	1 - 168	1 - 168
1	19	SER	SER	PRO	PRO	E	E	0 - 324	5 - 329
2	19	SER	SER	PRO	PRO	G	G	0 - 324	5 - 329
1	20	SER	SER	PRO	PRO	E	E	0 - 324	5 - 329
2	20	SER	SER	PRO	PRO	I	I	0 - 324	5 - 329
1	21	SER	SER	PRO	PRO	E	E	0 - 324	5 - 329
2	21	SER	SER	PRO	PRO	K	K	0 - 324	5 - 329
1	22	GLY	GLY	LEU	LEU	F	F	1 - 168	1 - 168
2	22	GLY	GLY	LEU	LEU	H	H	1 - 168	1 - 168
1	23	GLY	GLY	LEU	LEU	F	F	1 - 168	1 - 168
2	23	GLY	GLY	LEU	LEU	J	J	1 - 168	1 - 168
1	24	GLY	GLY	LEU	LEU	F	F	1 - 168	1 - 168
2	24	GLY	GLY	LEU	LEU	L	L	1 - 168	1 - 168
1	25	SER	SER	PRO	PRO	G	G	0 - 324	5 - 329
2	25	SER	SER	PRO	PRO	I	I	0 - 324	5 - 329
1	26	SER	SER	PRO	PRO	G	G	0 - 324	5 - 329
2	26	SER	SER	PRO	PRO	K	K	0 - 324	5 - 329
1	27	GLY	GLY	LEU	LEU	H	H	1 - 168	1 - 168
2	27	GLY	GLY	LEU	LEU	J	J	1 - 168	1 - 168
1	28	GLY	GLY	LEU	LEU	H	H	1 - 168	1 - 168
2	28	GLY	GLY	LEU	LEU	L	L	1 - 168	1 - 168
1	29	SER	SER	PRO	PRO	I	I	0 - 324	5 - 329
2	29	SER	SER	PRO	PRO	K	K	0 - 324	5 - 329
1	30	GLY	GLY	LEU	LEU	J	J	1 - 168	1 - 168
2	30	GLY	GLY	LEU	LEU	L	L	1 - 168	1 - 168

NCS ensembles :

#1: Protein

Hemagglutinin HA1 chain

Mass: 37434.273 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Details: A/Taiwan/1/2013 influenza virus / Source: (gene. exp.)

Influenza A virus / Production host:

Trichoplusia ni (cabbage looper) / References: UniProt: A0A0J9X246*PLUS

#2: Protein

Hemagglutinin HA2 chain

Mass: 20718.938 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Details: A/Taiwan/1/2013 influenza virus / Source: (gene. exp.)

Influenza A virus / Production host:

Trichoplusia ni (cabbage looper) / References: UniProt: A0A0J9X245*PLUS

#3: 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.: 18 / Source method: obtained synthetically / Formula: C₈H₁₅NO₆

Identifier	Type	Program
DGlcpNAcb	CONDENSED IUPAC CARBOHYDRATE SYMBOL	GMML 1.0
N-acetyl-b-D-glucopyranosamine	COMMON NAME	GMML 1.0
b-D-GlcpNAc	IUPAC CARBOHYDRATE SYMBOL	PDB-CARE 1.0
GlcNAc	SNFG CARBOHYDRATE SYMBOL	GMML 1.0

#4: Water

ChemComp-HOH / water /

Water

Mass: 18.015 Da / Num. of mol.: 744 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

Experiment	Method: X-RAY DIFFRACTION

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Sample preparation

Crystal	Density Matthews: 2.83 Å³/Da / Density % sol: 56.48 %
Crystal grow	Temperature: 293 K / Method: microbatch / pH: 8.5 Details: 0.01M nickel chloride, 0.1 M Tris-HCl, and 20% (w/v) PEG 2000MME

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
Detector	Type: MARMOSAIC 325 mm CCD / Detector: CCD / Date: Mar 22, 2014
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.4→50 Å / Num. obs: 146479 / % possible obs: 96.6 % / Redundancy: 3.7 % / Net I/σ(I): 17.7

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Processing

Software

Name: REFMAC / Version: 5.8.0049 / Classification: refinement

Refinement

Resolution: 2.4→50 Å / Cor.coef. F_o:F_c: 0.948 / Cor.coef. F_o:F_c free: 0.93 / SU B: 19.485 / SU ML: 0.214 / Cross valid method: THROUGHOUT / ESU R: 0.424 / ESU R Free: 0.262 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.25264	7372	5 %	RANDOM
R_work	0.22184	-	-	-
obs	0.22336	139107	96.55 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso mean: 31.59 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.78 Å²	0 Å²	1.5 Å²
2-	-	-0.3 Å²	0 Å²
3-	-	-	-0.94 Å²

Refinement step

Cycle: 1 / Resolution: 2.4→50 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	23514	0	252	744	24510

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.015	0.019	24354
X-RAY DIFFRACTION	r_bond_other_d	0.007	0.02	22422
X-RAY DIFFRACTION	r_angle_refined_deg	1.676	1.952	33054
X-RAY DIFFRACTION	r_angle_other_deg	1.287	3	51570
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.738	5	2946
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	33.081	24.873	1182
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	16.847	15	4080
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	21.34	15	120
X-RAY DIFFRACTION	r_chiral_restr	0.093	0.2	3576
X-RAY DIFFRACTION	r_gen_planes_refined	0.008	0.02	27780
X-RAY DIFFRACTION	r_gen_planes_other	0.006	0.02	5688
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	2.631	2.875	11820
X-RAY DIFFRACTION	r_mcbond_other	2.628	2.874	11819
X-RAY DIFFRACTION	r_mcangle_it	4.154	4.305	14754
X-RAY DIFFRACTION	r_mcangle_other	4.154	4.305	14755
X-RAY DIFFRACTION	r_scbond_it	3.72	3.332	12534
X-RAY DIFFRACTION	r_scbond_other	3.719	3.332	12535
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_scangle_other	5.845	4.828	18301
X-RAY DIFFRACTION	r_long_range_B_refined	9.383	24.271	27947
X-RAY DIFFRACTION	r_long_range_B_other	9.386	24.179	27778
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-ID	Dom-ID	Auth asym-ID	Number	Rms dev position (Å)
1	1	A	19282	0.08
1	2	C	19282	0.08
2	1	A	19323	0.07
2	2	E	19323	0.07
3	1	A	19440	0.07
3	2	G	19440	0.07
4	1	A	19185	0.08
4	2	I	19185	0.08
5	1	A	19349	0.07
5	2	K	19349	0.07
6	1	B	8674	0.09
6	2	D	8674	0.09
7	1	B	8292	0.13
7	2	F	8292	0.13
8	1	B	8539	0.11
8	2	H	8539	0.11
9	1	B	8641	0.1
9	2	J	8641	0.1
10	1	B	8568	0.1
10	2	L	8568	0.1
11	1	C	19459	0.07
11	2	E	19459	0.07
12	1	C	19414	0.07
12	2	G	19414	0.07
13	1	C	19322	0.08
13	2	I	19322	0.08
14	1	C	19271	0.08
14	2	K	19271	0.08
15	1	D	8373	0.12
15	2	F	8373	0.12
16	1	D	8634	0.09
16	2	H	8634	0.09
17	1	D	8679	0.09
17	2	J	8679	0.09
18	1	D	8612	0.1
18	2	L	8612	0.1
19	1	E	19554	0.06
19	2	G	19554	0.06
20	1	E	19327	0.07
20	2	I	19327	0.07
21	1	E	19256	0.07
21	2	K	19256	0.07
22	1	F	8424	0.12
22	2	H	8424	0.12
23	1	F	8366	0.12
23	2	J	8366	0.12
24	1	F	8384	0.13
24	2	L	8384	0.13
25	1	G	19276	0.08
25	2	I	19276	0.08
26	1	G	19358	0.07
26	2	K	19358	0.07
27	1	H	8585	0.1
27	2	J	8585	0.1
28	1	H	8739	0.1
28	2	L	8739	0.1
29	1	I	19234	0.08
29	2	K	19234	0.08
30	1	J	8658	0.09
30	2	L	8658	0.09

LS refinement shell

Resolution: 2.402→2.465 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.348	449	-
R_work	0.316	8428	-
obs	-	-	79.74 %

Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

ID	L11 (°²)	L12 (°²)	L13 (°²)	L22 (°²)	L23 (°²)	L33 (°²)	S11 (Å °)	S12 (Å °)	S13 (Å °)	S21 (Å °)	S22 (Å °)	S23 (Å °)	S31 (Å °)	S32 (Å °)	S33 (Å °)	T11 (Å²)	T12 (Å²)	T13 (Å²)	T22 (Å²)	T23 (Å²)	T33 (Å²)	Origin x (Å)	Origin y (Å)	Origin z (Å)
1	0.3269	-0.0292	-0.3869	0.0802	0.1342	0.6132	-0.0267	0.0358	-0.0658	0.0137	-0.0316	0.0315	0.0818	-0.0542	0.0583	0.2366	0.01	0.0036	0.1977	-0.0245	0.151	35.5516	-126.2785	-12.4711
2	1.0673	0.2706	-1.5674	0.4457	-0.1758	2.4814	0.1088	0.0136	-0.0615	0.1051	-0.2297	0.0724	-0.1323	-0.0952	0.121	0.1637	-0.0774	0.0627	0.2197	-0.067	0.1089	10.6128	-118.1634	32.2818
3	0.4398	0.1159	-0.5197	0.0565	-0.1226	0.898	-0.0985	-0.1045	-0.0758	-0.0265	-0.0214	-0.0469	0.1634	0.0668	0.1199	0.2515	0.0644	0.0432	0.1504	0.0518	0.0706	60.9232	-126.467	100.3732
4	1.3654	-0.3028	-1.8068	0.1941	0.2991	2.4926	0.0244	-0.066	0.0011	-0.06	-0.009	-0.0216	0.0348	0.0978	-0.0153	0.2225	0.0185	0.0559	0.1485	-0.0103	0.0989	86.4711	-118.1905	55.8373
5	0.2814	0.0254	-0.3958	0.0859	-0.0486	0.5687	0.0379	0.1052	0.0407	0.0471	0.0124	0.0107	-0.0455	-0.1058	-0.0503	0.2271	0.046	0.0184	0.2293	0.0435	0.075	38.8278	-103.5029	86.0642
6	0.4115	0.036	-0.6737	0.0581	-0.2341	1.7177	0.0565	0.073	0.0255	-0.0067	-0.0184	0.0102	0.0571	-0.0362	-0.0382	0.2493	0.003	0.0222	0.2218	0.0233	0.0881	73.08	-105.5642	47.4786
7	0.2699	0.0188	-0.2901	0.1157	0.0427	0.3693	0.0746	-0.1141	0.0064	-0.0434	-0.0555	-0.0154	-0.0627	0.1189	-0.0191	0.2241	-0.0809	0.0356	0.2228	-0.0383	0.0143	57.7983	-103.3444	1.8279
8	0.1908	-0.0601	-0.5736	0.0406	0.2386	2.2692	0.0853	-0.0937	0.0421	-0.0082	-0.0283	0.0015	0.0606	0.0591	-0.057	0.2322	-0.1353	0.0508	0.2197	-0.067	0.0221	23.7807	-105.3958	40.6049
9	0.2139	-0.0325	-0.3821	0.1466	0.1248	0.7337	0.0757	0.062	0.0477	-0.092	0.001	0.0205	-0.2229	-0.1447	-0.0767	0.3197	0.142	0.0627	0.1215	0.0332	0.0382	30.0738	-92.0847	-16.0044
10	1.8127	-0.4054	-1.975	0.1751	0.3331	2.3761	0.0834	0.0134	-0.116	0.0039	-0.0969	0.0728	-0.2834	0.0696	0.0135	0.3136	0.0394	0.1015	0.1214	-0.0365	0.0652	7.7089	-98.4274	30.4411
11	0.2649	0.0784	-0.4409	0.2977	-0.163	0.7783	0.1207	-0.0993	0.027	0.1432	-0.0519	-0.0041	-0.2832	0.2593	-0.0688	0.2996	-0.1633	0.0457	0.26	-0.06	0.0161	66.5431	-92.1746	103.8698
12	1.4399	0.4231	-1.4945	0.2326	-0.318	1.7208	0.0106	-0.028	-0.0409	-0.0422	0.0393	-0.0752	-0.1135	0.041	-0.0499	0.2305	-0.0794	0.0647	0.1853	-0.0117	0.1121	89.1822	-98.4879	57.6411

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	0 - 402
2	X-RAY DIFFRACTION	2	B	1 - 168
3	X-RAY DIFFRACTION	3	C	0 - 402
4	X-RAY DIFFRACTION	4	D	1 - 168
5	X-RAY DIFFRACTION	5	E	0 - 402
6	X-RAY DIFFRACTION	6	F	1 - 168
7	X-RAY DIFFRACTION	7	G	0 - 402
8	X-RAY DIFFRACTION	8	H	1 - 168
9	X-RAY DIFFRACTION	9	I	0 - 402
10	X-RAY DIFFRACTION	10	J	1 - 168
11	X-RAY DIFFRACTION	11	K	0 - 402
12	X-RAY DIFFRACTION	12	L	1 - 168

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