PDB-4g4e: Crystal structure of the L88A mutant of HslV from Escherichia coli

ID or keywords:

Entry

Database: PDB / ID: 4g4e

Title

Crystal structure of the L88A mutant of HslV from Escherichia coli

Components

ATP-dependent protease subunit HslV

Keywords

HYDROLASE / ATP-dependent Protease / HslU ATPase / HslV protease /

HslVU / Pore Motif

Function / homology

Function and homology information

HslU-HslV peptidase /

protein denaturation /

HslUV protease complex / proteasome core complex / threonine-type endopeptidase activity / proteolysis involved in protein catabolic process / cellular response to heat / response to heat / protein domain specific binding / magnesium ion binding ...
Similarity search - Function

Biological species

Escherichia coli (E. coli)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 2.888 Å

Authors

Lee, J.W. / Park, E. / Yoo, H.M. / Ha, B.H. / An, J.Y. / Jeon, Y.J. / Seol, J.H. / Eom, S.H. / Chung, C.H.

Citation

Journal: J.Mol.Biol. / Year: 2013
Title: Structural Alteration in the Pore Motif of the Bacterial 20S Proteasome Homolog HslV Leads to Uncontrolled Protein Degradation
Authors: Park, E. / Lee, J.W. / Yoo, H.M. / Ha, B.H. / An, J.Y. / Jeon, Y.J. / Seol, J.H. / Eom, S.H. / Chung, C.H.

History

Deposition	Jul 16, 2012	Deposition site: RCSB / Processing site: PDBJ
Revision 1.0	Jun 12, 2013	Provider: repository / Type: Initial release
Revision 1.1	Aug 14, 2013	Group: Database references
Revision 1.2	Nov 15, 2017	Group: Advisory / Refinement description / Category: pdbx_unobs_or_zero_occ_atoms / software
Revision 1.3	Nov 8, 2023	Group: Advisory / Data collection ...Advisory / 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 / pdbx_unobs_or_zero_occ_atoms / struct_ncs_dom_lim / struct_ref_seq_dif Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._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 / _struct_ref_seq_dif.details

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/g4/4g4e ftp://data.pdbj.org/pub/pdb/validation_reports/g4/4g4e	HTTPS FTP

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Related structure data

Related structure data	1e94S S: Starting model for refinement
Similar structure data	1hqy-2 1ht2-3 1ht2-4 1e94-2 1ht1-2 2z3b-2 1g3k-1 2z3a-d Search similar-shape structures by Omokage search (details) 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	#80 - Aug 2006 AAA+ Proteases similarity (7) #176 - Aug 2014 Dynein similarity (6) #166 - Oct 2013 Proteasome similarity (5) #60 - Dec 2004 Ubiquitin similarity (5)

Deposited unit

A: ATP-dependent protease subunit HslV

B: ATP-dependent protease subunit HslV

C: ATP-dependent protease subunit HslV

D: ATP-dependent protease subunit HslV

E: ATP-dependent protease subunit HslV

F: ATP-dependent protease subunit HslV

G: ATP-dependent protease subunit HslV

H: ATP-dependent protease subunit HslV

I: ATP-dependent protease subunit HslV

J: ATP-dependent protease subunit HslV

K: ATP-dependent protease subunit HslV

L: ATP-dependent protease subunit HslV

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

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	76.275, 167.122, 90.313
Angle α, β, γ (deg.)	90.00, 105.86, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
1	1	CHAIN A AND (RESSEQ 1:174 )
2	1	CHAIN B AND (RESSEQ 1:174 )
3	1	CHAIN C AND (RESSEQ 1:174 )
4	1	CHAIN D AND (RESSEQ 1:174 )
5	1	CHAIN E AND (RESSEQ 1:174 )
6	1	CHAIN F AND (RESSEQ 1:174 )
7	1	CHAIN G AND (RESSEQ 1:174 )
8	1	CHAIN H AND (RESSEQ 1:174 )
9	1	CHAIN I AND (RESSEQ 1:174 )
10	1	CHAIN J AND (RESSEQ 1:174 )
11	1	CHAIN K AND (RESSEQ 1:174 )
12	1	CHAIN L AND (RESSEQ 1:174 )

NCS domain segments:

Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: THR / Beg label comp-ID: THR / End auth comp-ID: LYS / End label comp-ID: LYS / Auth seq-ID: 1 - 174 / Label seq-ID: 1 - 174

Dom-ID	Selection details	Auth asym-ID	Label asym-ID
1	CHAIN A AND (RESSEQ 1:174 )	A	A
2	CHAIN B AND (RESSEQ 1:174 )	B	B
3	CHAIN C AND (RESSEQ 1:174 )	C	C
4	CHAIN D AND (RESSEQ 1:174 )	D	D
5	CHAIN E AND (RESSEQ 1:174 )	E	E
6	CHAIN F AND (RESSEQ 1:174 )	F	F
7	CHAIN G AND (RESSEQ 1:174 )	G	G
8	CHAIN H AND (RESSEQ 1:174 )	H	H
9	CHAIN I AND (RESSEQ 1:174 )	I	I
10	CHAIN J AND (RESSEQ 1:174 )	J	J
11	CHAIN K AND (RESSEQ 1:174 )	K	K
12	CHAIN L AND (RESSEQ 1:174 )	L	L

#1: Protein	ATP-dependent protease subunit HslV / Heat shock protein HslV Mass: 18873.482 Da / Num. of mol.: 12 / Mutation: L88A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (E. coli) / Strain: K12 / Gene: hslV / Production host: Escherichia coli (E. coli) / References: UniProt: P0A7B8, HslU-HslV peptidase

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Experiment

Experiment	Method: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

Crystal	Density Matthews: 2.44 Å³/Da / Density % sol: 49.69 %
Crystal grow	Temperature: 294 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 0.1M Tris-HCl, 28%(v/v) PEG MME550, 0.2M ammonium formate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K

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Data collection

Diffraction	Mean temperature: 110 K
Diffraction source	Source: SYNCHROTRON / Site: PAL/PLS / Beamline: 6C1 / Wavelength: 1.24 Å
Detector	Type: ADSC QUANTUM 210 / Detector: CCD / Date: Dec 8, 2009
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.24 Å / Relative weight: 1
Reflection	Resolution: 2.888→50 Å / Num. all: 45242 / Num. obs: 45193 / % possible obs: 92.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0
Reflection shell	Resolution: 2.9→2.95 Å / % possible all: 92.7

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
DENZO		data reduction
SCALEPACK		data scaling
PHENIX	1.8_1069	refinement
PDB_EXTRACT	3.11	data extraction
HKL-2000		data collection
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Starting model: 1.0E+94 / Resolution: 2.888→49.752 Å / Occupancy max: 1 / Occupancy min: 0 / FOM work R set: 0.7455 / SU ML: 0.47 / σ(F): 1.37 / Phase error: 32.22 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2934	2291	5.07 %	RANDOM
R_work	0.2582	-	-	-
obs	0.2589	45177	92.65 %	-
all	-	45242	-	-

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso max: 395.19 Å² / B_iso mean: 79.0882 Å² / B_iso min: 8.38 Å²

Refinement step

Cycle: LAST / Resolution: 2.888→49.752 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	15432	0	0	0	15432

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.1	16140
X-RAY DIFFRACTION	f_angle_d	1.13	21804
X-RAY DIFFRACTION	f_chiral_restr		2568
X-RAY DIFFRACTION	f_plane_restr		2820
X-RAY DIFFRACTION	f_dihedral_angle_d		5880

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Type	Rms dev position (Å)
1	1	A	1328	X-RAY DIFFRACTION	POSITIONAL	0.092
1	2	B	1328	X-RAY DIFFRACTION	POSITIONAL	0.092
1	3	C	1328	X-RAY DIFFRACTION	POSITIONAL	0.085
1	4	D	1328	X-RAY DIFFRACTION	POSITIONAL	0.083
1	5	E	1328	X-RAY DIFFRACTION	POSITIONAL	0.097
1	6	F	1328	X-RAY DIFFRACTION	POSITIONAL	0.08
1	7	G	1328	X-RAY DIFFRACTION	POSITIONAL	0.065
1	8	H	1328	X-RAY DIFFRACTION	POSITIONAL	0.079
1	9	I	1328	X-RAY DIFFRACTION	POSITIONAL	0.078
1	10	J	1328	X-RAY DIFFRACTION	POSITIONAL	0.081
1	11	K	1328	X-RAY DIFFRACTION	POSITIONAL	0.101
1	12	L	1328	X-RAY DIFFRACTION	POSITIONAL	0.078

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 16

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.8879-2.9507	0.4266	119	0.3321	1919	2038	67
2.9507-3.0193	0.4476	129	0.3386	2770	2899	96
3.0193-3.0948	0.3854	155	0.3179	2772	2927	96
3.0948-3.1785	0.3887	135	0.313	2785	2920	96
3.1785-3.272	0.3099	153	0.3043	2725	2878	95
3.272-3.3776	0.3867	139	0.292	2739	2878	95
3.3776-3.4983	0.2917	143	0.2786	2752	2895	94
3.4983-3.6383	0.35	144	0.2791	2686	2830	94
3.6383-3.8038	0.3087	156	0.2634	2685	2841	93
3.8038-4.0043	0.2812	154	0.2524	2655	2809	93
4.0043-4.2551	0.3143	148	0.2439	2669	2817	92
4.2551-4.5834	0.2283	154	0.231	2612	2766	91
4.5834-5.0442	0.2369	139	0.2245	2650	2789	91
5.0442-5.7732	0.2734	122	0.2453	2684	2806	92
5.7732-7.27	0.3317	147	0.2653	2860	3007	98
7.27-49.7595	0.2304	154	0.2055	2923	3077	99

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	0.0093	0.0044	-0.0076	0.0108	-0.0139	0.0186	-0.0644	0.0237	-0.0228	0.0228	-0.0222	-0.0555	-0.0394	0.0123	-0.0271	0.1142	-0.0227	0.0303	0.0403	-0.019	0.1997	23.6574	-165.0857	28.1414
2	0.0761	-0.0021	-0.068	0.0602	0.0375	0.0833	-0.0825	0.0062	-0.03	0.0472	-0.0482	-0.1103	0.0156	0.024	-0.1561	0.2542	0.0166	0.0164	0.0439	0.0492	0.324	29.4369	-177.2488	21.0382
3	0.0007	-0.0001	-0.0001	0.0011	-0.0008	0.0007	0.0015	-0.0246	0.0109	0.0067	0.011	0.0002	0.049	0.0224	-0.0002	0.4304	0.071	0.1655	0.4853	-0.0105	0.7551	40.9232	-169.3412	17.6732
4	0.0005	-0.0014	-0.0017	0.0054	0.0029	0.0035	0.0288	0.0043	0.0103	-0.0138	-0.0024	0.0093	0.0148	0.0275	0	0.8997	0.0246	0.2241	0.8092	0.0615	1.0465	40.2384	-159.799	15.4586
5	0.0064	0.0042	-0.004	0.0041	-0.0016	0.0031	-0.0082	0.0066	0.0004	0.0061	-0.0068	0.0078	-0.0061	0.0051	-0.0003	1.0002	0.0664	0.0179	1.0451	-0.0521	1.0265	34.008	-172.708	4.734
6	0.0671	-0.0062	-0.0565	0.3212	0.0843	0.0611	-0.0359	-0.0431	-0.0659	0.1332	-0.0731	-0.083	-0.0344	-0.0223	-0.2027	0.2564	-0.0096	0.0002	-0.0921	0.1224	0.0486	21.0978	-166.7337	23.7513
7	0.0066	0.0109	-0.0117	0.0659	-0.0352	0.0532	-0.0617	-0.0753	-0.1029	0.0159	0.0183	0.004	0.0533	0.0477	-0.0126	0.0936	-0.0513	0.0547	0.1058	0.2272	0.2711	20.9376	-146.757	6.2572
8	0.0218	0.003	-0.0007	0.0012	-0.0023	0.011	-0.0293	-0.0142	-0.0174	0.0084	-0.0248	-0.0483	-0.0076	0.0309	-0.034	0.1616	0.0139	-0.0742	0.3752	0.2718	0.3527	35.9581	-145.554	5.892
9	0.0006	-0.0002	-0.0004	0.0057	0.0047	0.0041	0.0324	0.0295	-0.0057	-0.0052	0.0225	0.0052	-0.0165	0.0389	-0.0003	0.5069	0.0042	0.0124	0.5901	0.0761	0.7111	41.8867	-143.8668	-4.5936
10	0.0001	0.0002	0	0.0018	0.0005	0	-0.0067	0.001	-0.0012	0.0011	-0.0131	0.0057	0.0053	0.0025	-0.0003	1.1984	0.0433	-0.0111	1.2825	-0.0867	1.258	34.154	-159.237	-3.117
11	0.1562	0.0895	-0.0475	0.1831	0.0356	0.2982	-0.1471	0.009	-0.0059	-0.0974	-0.0381	0.0088	-0.0525	0.005	-0.3582	0.1733	-0.0172	-0.0013	0.0891	0.065	0.2891	20.4692	-141.326	-0.2833
12	0.0034	0.0018	0.0039	0.0149	0.0134	0.0298	0.0254	-0.0462	0.0173	-0.0114	-0.0326	0.0051	0.0135	-0.0671	0.0905	0.3437	-0.1532	0.1749	0.1325	-0.1666	0.2299	-1.8903	-193.9563	16.6265
13	0.0129	-0.0002	-0.0034	0.0127	0.009	0.0205	-0.0162	-0.0064	0.0066	0.0406	0.0134	-0.0014	-0.0301	-0.0378	-0.0032	0.3639	0.192	0.0021	0.3521	0.0745	0.6964	-14.1544	-199.098	5.3712
14	0.0016	0.001	0.0031	0.008	0.0012	0.006	-0.014	0.0005	-0.0041	0.0036	-0.0184	-0.0074	0.0015	0.0024	-0.0007	1.8451	-0.0069	-0.0365	1.8215	0.0375	1.8076	-6.065	-188.083	-1.827
15	0.0523	0.0239	0.0199	0.0124	-0.0024	0.0429	0.0433	-0.0637	-0.012	0.0291	0.0417	-0.037	-0.0325	0.0986	0.1288	0.3072	-0.0649	0.1009	0.1102	-0.1626	0.1923	4.5018	-200.7423	15.1596
16	0.0773	0.0042	0.0192	0.0875	-0.0441	0.098	-0.0164	0.0502	-0.0555	0.0207	0.0578	-0.072	-0.0019	-0.0151	0.1801	0.1294	0.1136	-0.018	0.4057	-0.1413	0.1392	38.2301	-203.4625	-24.7
17	0.0143	-0.0049	-0.0055	0.0019	0.003	0.0054	-0.0022	-0.0109	-0.0366	-0.0377	-0.0213	-0.0338	-0.076	0.0051	-0.0036	0.2012	0.0015	0.0169	0.178	0.1173	0.4079	47.2686	-196.6414	-18.5267
18	0.0163	0.0094	-0.029	0.0256	-0.0202	0.0529	0.0434	0.0088	0.0022	0.0024	0.0462	0.0079	-0.0017	0.0093	0.0131	0.4271	0.0444	-0.2593	0.3875	-0.113	0.5873	50.4812	-199.3296	-7.7001
19	0.0006	-0.0008	0.0004	0.0016	0.0001	0.0004	0.007	-0.0029	-0.0057	-0.003	-0.0082	0.004	-0.0117	0.0086	-0.0002	1.4163	0.0595	-0.0551	1.4426	-0.0451	1.4979	39.935	-186.178	-13.68
20	0.0099	-0.0015	0.0194	0.0023	0.0152	0.0204	-0.0322	0.073	-0.0414	-0.0109	-0.0105	-0.0667	-0.0068	-0.0582	-0.1294	0.1446	0.1577	-0.0668	0.2225	-0.4679	0.1685	33.8249	-208.5602	-18.7363
21	0.0231	0.0237	0.004	0.0507	0.0269	0.0222	0.0217	-0.0177	-0.004	0.0312	-0.0783	0.0182	-0.015	-0.0524	-0.1548	0.4577	0.1501	-0.0798	0.2558	-0.2485	0.2893	32.9796	-203.6988	8.3812
22	0.0133	0.0002	0.0096	0.0118	-0.0048	0.0108	-0.0217	0.0044	0.0103	-0.0083	-0.0352	-0.0172	0.018	0.0371	-0.0182	0.1539	0.0605	-0.0972	0.31	-0.0738	0.2327	42.9792	-195.7238	7.1014
23	0.0005	-0.0001	0.0002	-0.0004	-0.0011	0.0017	-0.0177	0.003	0.0158	-0.0147	0.0151	0.0039	-0.0096	0.0072	0.0001	0.8435	0.0075	0.1037	1.0746	0.048	1.1365	43.552	-187.74	11.257
24	0.0356	-0.0143	-0.0049	0.0164	0.0139	0.0204	0.0485	-0.0586	-0.0849	0.119	-0.0149	-0.0283	0.0965	0.0265	-0.019	0.5774	0.0181	-0.0624	0.0734	-0.1197	0.2421	27.7532	-200.8301	15.1225
25	0.0052	-0.0001	-0.0139	0.1294	-0.0247	0.1526	0.0173	0.1233	-0.0761	0.0437	0.035	0.0146	-0.0563	-0.1206	0.1458	0.1461	0.0366	0.0758	0.3691	-0.2418	0.2683	5.5506	-211.893	-10.8396
26	0.0033	-0.0003	-0.0033	0.0156	0.0075	0.0068	0.0204	0.0177	-0.0109	0.0122	0.0221	-0.0085	-0.0333	0.033	0.0006	0.3162	0.1937	0.0927	0.5775	-0.1468	0.4223	-5.4801	-206.4334	-14.6923
27	0.0002	-0.0016	-0.0001	0.0106	0.0012	0.0001	0.0317	0.0319	0.0082	-0.0141	0.0118	0.005	-0.005	0.001	-0.0002	1.1365	0.0746	-0.0561	1.3634	-0.0044	1.1084	-8.185	-205.667	-25.9616
28	0.0022	-0.0018	0.0001	0.0018	-0.0003	0.0002	0.0018	-0.0024	0.0031	-0.001	0.0018	0.0017	-0.0027	0.0064	0.0001	1.5527	0.1004	0.017	1.5445	0.0497	1.5743	-1.497	-193.917	-15.762
29	0.0063	0.0044	0.0042	0.0231	0.0543	0.1471	0.0614	0.0749	-0.066	-0.04	-0.0049	-0.0045	-0.1115	-0.0664	0.1824	0.3069	0.0829	0.0086	0.4249	-0.3508	0.3809	11.0486	-212.6786	-17.927
30	0.0154	0.0083	0.0003	0.0542	-0.0596	0.0732	-0.0296	0.02	0.0534	-0.0334	-0.0636	0.0671	0.0137	0.016	-0.1082	0.2428	0.1165	-0.1636	0.2419	-0.0929	0.3383	0.0232	-146.5579	-17.1037
31	0.0218	-0.0156	-0.0145	0.0166	0.0105	0.0159	-0.0162	-0.0021	0.0383	-0.01	-0.0026	0.047	0.0338	-0.0346	-0.0195	0.3046	-0.0107	-0.1468	0.4527	-0.2497	0.5778	-12.1748	-148.2432	-17.5351
32	0.0106	0.0022	0.0033	0.0009	0.0011	0.0009	0.0134	-0.0142	0.0178	-0.0264	0.0081	0.0183	0.0236	-0.026	0.0004	0.7475	-0.0944	-0.275	0.8929	-0.1775	0.9015	-16.5387	-156.0158	-16.7857
33	0.0001	0.0011	0.0001	0.0101	0.0006	-0.0001	0.029	-0.0115	0.0067	-0.0006	0.0043	0.0119	0.0161	0.0015	-0	1.0541	-0.2374	0.0877	0.9816	-0.1351	0.9953	-18.8197	-157.2194	-7.3124
34	0.0011	-0.0009	-0.0003	0.0011	0.0006	0.0006	-0.002	0.001	-0.0021	0.0067	-0.0052	-0.0035	0.0009	0.0001	-0.0002	1.5139	-0.0209	0.0064	1.4693	-0.0207	1.5239	-5.962	-166.659	-15.461
35	0.1427	-0.0508	0.2502	0.0171	-0.0825	0.4564	-0.2514	0.0486	0.0664	-0.0491	-0.1927	0.0932	-0.0754	0.0085	-0.3654	0.2008	0.0773	-0.006	0.1872	-0.0405	0.3781	-1.0685	-144.3471	-8.9448
36	-0.0006	0.002	0.0024	-0.0002	-0.0017	0.0169	-0.0087	-0.0155	-0.0228	0.0561	-0.019	0.0778	0.0277	-0.0373	-0.0075	0.1697	-0.1302	0.1173	0.3046	0.0404	0.3939	-2.3538	-160.2237	13.0804
37	0.0049	0.0017	0.001	0.0002	0.0009	0.0002	0.0359	-0.018	-0.0023	0.0086	0.0391	0.026	-0.0136	-0.0316	0.0099	0.2212	-0.1934	0.0057	0.4369	0.1091	0.5292	-14.3086	-163.2161	12.844
38	0.0146	-0.0001	0.0028	-0.0002	-0.0002	0.0005	0.0152	-0.0099	-0.0159	-0.0196	0.0195	0.0176	-0.0049	0.0024	0.0002	0.7587	-0.1082	-0.0495	0.9446	0.2333	0.9909	-18.3235	-168.8774	7.191
39	0.0019	0.0017	-0.0011	0.0012	-0.0007	0.0032	-0.0001	-0.0031	-0.0015	-0.0308	-0.0129	0.0009	0.0078	0.0038	0.0001	0.5998	-0.2432	-0.1031	0.8029	0.0618	0.7979	-18.3387	-177.7432	11.4084
40	0.0005	0.0008	-0.0007	0.0012	-0.0012	0.0011	-0.0061	-0.0036	-0.002	-0.0005	0.0066	0.0057	0.0024	0.0037	0.0001	1.0926	0.017	-0.0614	1.1466	-0.0294	1.0989	-7.628	-173.553	-2.324
41	0.0417	0.0563	-0.032	0.0842	-0.0569	0.0956	0.0129	0.0032	0.0967	-0.0049	0.1074	0.1385	0.0028	-0.1213	0.1727	0.0859	-0.0684	0.1414	0.1122	-0.0203	0.2917	-1.5649	-165.9401	19.3456
42	0.0653	-0.0242	-0.0557	0.0518	-0.0272	0.1103	-0.0146	0.0104	0.03	-0.1171	-0.0134	-0.0838	-0.0445	0.0467	0.0268	0.1821	-0.0944	0.0015	0.3023	0.0631	0.0892	26.2031	-146.0004	-26.4656
43	0.0014	-0.0006	-0.0017	0.0025	0.0017	0.0016	-0.0133	-0.0153	0.026	0.0081	0.0307	-0.0502	-0.0188	0.0034	0	0.5179	-0.1168	0.043	0.5647	0.0563	0.5407	38.3527	-143.9527	-26.0676
44	0.0059	0.0053	-0.0008	0.0049	-0	0.0005	-0.0088	-0.007	0.012	0.0078	0.0164	-0.0233	-0.0276	-0.0127	0.0002	0.9351	-0.0833	-0.0597	0.9552	-0.0969	0.8809	44.581	-149.3227	-22.5555
45	0.0011	0.0012	0.0012	0.0033	-0.0005	0.0015	0.0053	0.0012	0.0061	-0.0002	0.0222	-0.0258	0.0076	0.0134	-0.0002	0.679	0.0202	0.0415	0.8679	0.1104	0.7839	47.9197	-155.0947	-29.7645
46	0.0011	-0.0008	-0.0007	0.0025	-0.0009	0.0013	0.0091	0.0006	-0.0031	0.0011	0.0174	-0.0038	0.0057	0.0088	0.0006	1.1171	-0.0599	-0.0023	1.0853	0.0441	1.1451	36.893	-161.912	-17.987
47	0.0138	-0.0103	0.0004	0.008	0.0012	0.001	0.0307	0.0205	-0.0112	-0.006	-0.0099	-0.0285	-0.0354	-0.0185	0.0056	0.2701	-0.0863	0.106	0.5612	0.0881	0.2855	35.3621	-154.0365	-33.5818
48	0.0462	-0.0227	-0.0307	0.0166	0.0023	0.0462	-0.072	0.0314	-0.0294	-0.1879	0.0156	-0.0309	-0.0361	0.0185	-0.0363	0.3238	-0.0196	0.0886	0.4128	0.1752	0.1409	22.7091	-145.4113	-35.0275
49	0.0754	0.0011	-0.0396	0.0444	0.0217	0.0295	-0.0299	0.0445	-0.068	-0.0139	-0.0602	-0.0802	0.0257	0.0593	-0.0418	0.2801	0.0292	0.114	0.4862	0.1025	0.1736	33.3444	-174.249	-41.5252
50	0.0011	0.0039	0.0014	0.0133	0.0043	0.0015	0.0106	-0.0073	-0.0168	0.0144	0.0562	-0.0511	-0.0278	0.0061	0.0094	0.273	-0.0147	0.172	0.5852	0.181	0.5567	45.4877	-174.1902	-39.4235
51	0.0017	0.0001	0.0023	-0.0001	0.0002	0.0023	0.0264	0.0047	-0.0124	0.016	0.0242	-0.0086	-0.0324	0.005	0.0003	0.6196	-0.0208	-0.0927	0.8321	0.0671	0.8937	49.5466	-174.4639	-31.4515
52	0.0002	0.0002	0.0002	0.0003	-0	-0	0.0056	-0.0154	0.0101	0.0171	-0.0079	0.0136	-0.0034	0.0122	0.0001	1.4338	0.0039	-0.2418	1.4837	0.1208	1.5257	51.3512	-183.8931	-29.3769
53	0.0019	0.0013	0.0001	0.0013	0.0008	0.001	0.0011	-0.0021	0.0025	0.0004	0.0025	0.0067	0.0009	-0.0011	0	1.315	0.0011	-0.0282	1.3197	-0.0463	1.2553	38.557	-174.426	-21.149
54	0.0015	-0.0012	0.002	0.0047	0.0005	0.0051	0.0023	0.0771	0.0024	0.0623	-0.0004	-0.0825	-0.0058	-0.0717	0	0.3471	-0.0472	-0.0427	0.5394	0.0085	0.3477	39.9833	-185.3391	-35.8643
55	0.1085	0.0963	0.1281	0.0931	0.1172	0.1514	-0.1403	0.0011	-0.0611	-0.21	-0.0914	-0.0787	0.0086	-0.0281	-0.1503	0.5168	-0.0011	0.1057	0.6494	0.0294	0.1701	30.716	-180.9804	-47.3191
56	0.0831	0.0699	-0.0203	0.093	-0.0217	0.0339	-0.0671	0.0945	0.06	-0.1377	0.0207	0.1332	-0.0173	-0.0382	0.0227	0.3368	0.1248	-0.1629	0.7061	-0.165	0.3533	8.7095	-197.6795	-41.6442
57	0.0059	-0.0022	0.0022	0.0051	0.003	0.0037	-0.0038	-0.0037	0.0126	0.0094	0.0505	0.0219	0.0493	0.0008	-0.0005	0.8583	0.0352	-0.2754	0.9833	0.021	0.838	-3.5595	-194.7321	-39.0252
58	0.0002	0.0002	-0.0003	0.0004	-0.0013	0.0032	-0.0083	0.0103	0.0089	0.0052	-0.0025	0.0069	-0.002	-0.0096	-0.0001	0.932	-0.03	-0.0745	1.1206	-0.0339	1.0991	-8.8378	-185.8115	-44.2632
59	0	0	-0	0.0001	0.0001	0.0003	0.0099	0.0034	0.0038	0.0028	0.0096	-0.0033	0.0009	0.0074	0.0003	1.3313	0.0395	0.0156	1.4132	-0.0291	1.3354	-2.184	-187.2	-27.693
60	0.0837	-0.0058	-0.0363	0.0574	-0.0431	0.0525	-0.0172	0.0904	-0.0253	-0.1009	0.0227	-0.0061	0.0664	-0.0077	0.0165	0.2899	0.1686	-0.0467	0.6443	-0.1669	0.1727	12.5195	-190.7797	-46
61	0.3148	-0.0254	0.0759	0.0168	0.0379	0.2232	-0.0975	0.0945	0.036	-0.0271	-0.0714	0.13	-0.054	0.1073	-0.1678	0.2297	0.1225	-0.1284	0.7901	-0.2129	0.3727	3.7819	-164.2432	-44.7076
62	0.0049	0.0013	0.0013	0.0032	-0.0014	0.0044	-0.0445	-0.0023	-0.0043	-0.017	-0.0188	0.0102	0.0097	0.008	0.0001	0.4749	0.0149	-0.155	0.6075	-0.1583	0.617	-7.6953	-167.7118	-39.9958
63	0.0013	0.002	-0.0017	0.0039	-0.001	0.0053	0.0015	0.0146	0.0235	-0.001	-0.0218	0.0063	-0.0047	-0.0255	0.0005	0.5783	0.0054	0.0193	0.7397	-0.0667	0.7263	-14.6709	-159.9709	-34.8616
64	0.0014	0.0003	0.0018	0.0002	0.0004	0.0022	-0.0008	0.0006	0.0055	-0.0011	-0.0002	-0.0015	0.0071	0.008	0	0.9977	-0.078	-0.021	1.0918	-0.0043	1.015	-4.19	-171.966	-27.557
65	0.0379	0.0417	-0.0114	0.0508	-0.0046	0.1086	-0.0645	0.1407	0.0291	-0.1424	0.0149	0.0513	-0.1309	0.1078	0.0038	0.4858	0.1075	-0.1986	0.7904	-0.048	0.1641	5.9747	-156.1441	-41.4384

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	CHAIN B AND (RESID 1 : 16 )	B	1 - 16
2	X-RAY DIFFRACTION	2	CHAIN B AND (RESID 17 : 52 )	B	17 - 52
3	X-RAY DIFFRACTION	3	CHAIN B AND (RESID 53 : 66 )	B	53 - 66
4	X-RAY DIFFRACTION	4	CHAIN B AND (RESID 67 : 83 )	B	67 - 83
5	X-RAY DIFFRACTION	5	CHAIN B AND (RESID 84 : 92 )	B	84 - 92
6	X-RAY DIFFRACTION	6	CHAIN B AND (RESID 93 : 174 )	B	93 - 174
7	X-RAY DIFFRACTION	7	CHAIN A AND (RESID 1 : 33 )	A	1 - 33
8	X-RAY DIFFRACTION	8	CHAIN A AND (RESID 34 : 66 )	A	34 - 66
9	X-RAY DIFFRACTION	9	CHAIN A AND (RESID 67 : 83 )	A	67 - 83
10	X-RAY DIFFRACTION	10	CHAIN A AND (RESID 84 : 92 )	A	84 - 92
11	X-RAY DIFFRACTION	11	CHAIN A AND (RESID 93 : 174 )	A	93 - 174
12	X-RAY DIFFRACTION	12	CHAIN C AND (RESID 1 : 52 )	C	1 - 52
13	X-RAY DIFFRACTION	13	CHAIN C AND (RESID 53 : 83 )	C	53 - 83
14	X-RAY DIFFRACTION	14	CHAIN C AND (RESID 84 : 92 )	C	84 - 92
15	X-RAY DIFFRACTION	15	CHAIN C AND (RESID 93 : 174 )	C	93 - 174
16	X-RAY DIFFRACTION	16	CHAIN D AND (RESID 1 : 41 )	D	1 - 41
17	X-RAY DIFFRACTION	17	CHAIN D AND (RESID 42 : 66 )	D	42 - 66
18	X-RAY DIFFRACTION	18	CHAIN D AND (RESID 67 : 83 )	D	67 - 83
19	X-RAY DIFFRACTION	19	CHAIN D AND (RESID 84 : 92 )	D	84 - 92
20	X-RAY DIFFRACTION	20	CHAIN D AND (RESID 93 : 174 )	D	93 - 174
21	X-RAY DIFFRACTION	21	CHAIN E AND (RESID 1 : 41 )	E	1 - 41
22	X-RAY DIFFRACTION	22	CHAIN E AND (RESID 42 : 66 )	E	42 - 66
23	X-RAY DIFFRACTION	23	CHAIN E AND (RESID 67 : 92 )	E	67 - 92
24	X-RAY DIFFRACTION	24	CHAIN E AND (RESID 93 : 174 )	E	93 - 174
25	X-RAY DIFFRACTION	25	CHAIN F AND (RESID 1 : 41 )	F	1 - 41
26	X-RAY DIFFRACTION	26	CHAIN F AND (RESID 42 : 66 )	F	42 - 66
27	X-RAY DIFFRACTION	27	CHAIN F AND (RESID 67 : 83 )	F	67 - 83
28	X-RAY DIFFRACTION	28	CHAIN F AND (RESID 84 : 92 )	F	84 - 92
29	X-RAY DIFFRACTION	29	CHAIN F AND (RESID 93 : 174 )	F	93 - 174
30	X-RAY DIFFRACTION	30	CHAIN G AND (RESID 1 : 33 )	G	1 - 33
31	X-RAY DIFFRACTION	31	CHAIN G AND (RESID 34 : 52 )	G	34 - 52
32	X-RAY DIFFRACTION	32	CHAIN G AND (RESID 53 : 66 )	G	53 - 66
33	X-RAY DIFFRACTION	33	CHAIN G AND (RESID 67 : 83 )	G	67 - 83
34	X-RAY DIFFRACTION	34	CHAIN G AND (RESID 84 : 92 )	G	84 - 92
35	X-RAY DIFFRACTION	35	CHAIN G AND (RESID 93 : 174 )	G	93 - 174
36	X-RAY DIFFRACTION	36	CHAIN H AND (RESID 1 : 33 )	H	1 - 33
37	X-RAY DIFFRACTION	37	CHAIN H AND (RESID 34 : 52 )	H	34 - 52
38	X-RAY DIFFRACTION	38	CHAIN H AND (RESID 53 : 66 )	H	53 - 66
39	X-RAY DIFFRACTION	39	CHAIN H AND (RESID 67 : 83 )	H	67 - 83
40	X-RAY DIFFRACTION	40	CHAIN H AND (RESID 84 : 92 )	H	84 - 92
41	X-RAY DIFFRACTION	41	CHAIN H AND (RESID 93 : 174 )	H	93 - 174
42	X-RAY DIFFRACTION	42	CHAIN I AND (RESID 1 : 33 )	I	1 - 33
43	X-RAY DIFFRACTION	43	CHAIN I AND (RESID 34 : 52 )	I	34 - 52
44	X-RAY DIFFRACTION	44	CHAIN I AND (RESID 53 : 66 )	I	53 - 66
45	X-RAY DIFFRACTION	45	CHAIN I AND (RESID 67 : 83 )	I	67 - 83
46	X-RAY DIFFRACTION	46	CHAIN I AND (RESID 84 : 92 )	I	84 - 92
47	X-RAY DIFFRACTION	47	CHAIN I AND (RESID 93 : 125 )	I	93 - 125
48	X-RAY DIFFRACTION	48	CHAIN I AND (RESID 126 : 174 )	I	0
49	X-RAY DIFFRACTION	49	CHAIN J AND (RESID 1 : 33 )	J	1 - 33
50	X-RAY DIFFRACTION	50	CHAIN J AND (RESID 34 : 52 )	J	34 - 52
51	X-RAY DIFFRACTION	51	CHAIN J AND (RESID 53 : 66 )	J	53 - 66
52	X-RAY DIFFRACTION	52	CHAIN J AND (RESID 67 : 83 )	J	67 - 83
53	X-RAY DIFFRACTION	53	CHAIN J AND (RESID 84 : 92 )	J	84 - 92
54	X-RAY DIFFRACTION	54	CHAIN J AND (RESID 93 : 125 )	J	93 - 125
55	X-RAY DIFFRACTION	55	CHAIN J AND (RESID 126 : 174 )	J	0
56	X-RAY DIFFRACTION	56	CHAIN K AND (RESID 1 : 41 )	K	1 - 41
57	X-RAY DIFFRACTION	57	CHAIN K AND (RESID 42 : 66 )	K	42 - 66
58	X-RAY DIFFRACTION	58	CHAIN K AND (RESID 67 : 83 )	K	67 - 83
59	X-RAY DIFFRACTION	59	CHAIN K AND (RESID 84 : 92 )	K	84 - 92
60	X-RAY DIFFRACTION	60	CHAIN K AND (RESID 93 : 174 )	K	93 - 174
61	X-RAY DIFFRACTION	61	CHAIN L AND (RESID 1 : 41 )	L	1 - 41
62	X-RAY DIFFRACTION	62	CHAIN L AND (RESID 42 : 66 )	L	42 - 66
63	X-RAY DIFFRACTION	63	CHAIN L AND (RESID 67 : 83 )	L	67 - 83
64	X-RAY DIFFRACTION	64	CHAIN L AND (RESID 84 : 92 )	L	84 - 92
65	X-RAY DIFFRACTION	65	CHAIN L AND (RESID 93 : 174 )	L	93 - 174

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