PDB-6e8d: Crystal structure of the Bacillus subtilis sliding clamp-MutL complex.

ID or keywords:

Entry

Database: PDB / ID: 6e8d

Title

Crystal structure of the Bacillus subtilis sliding clamp-MutL complex.

Components

Beta sliding clamp,DNA mismatch repair protein MutL

Keywords

DNA BINDING PROTEIN /

Complex

Function / homology

Function and homology information

mismatch repair complex / mismatched DNA binding /

DNA polymerase III complex / DNA strand elongation involved in DNA replication /

mismatch repair / 3'-5' exonuclease activity /

DNA replication /

DNA-directed DNA polymerase activity /

ATP hydrolysis activity /

DNA binding ...
Similarity search - Function

Biological species

Bacillus subtilis (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.34 Å

Authors

Guarne, A. / Almawi, A.W.

Citation

Journal: Nucleic Acids Res. / Year: 2019
Title: Binding of the regulatory domain of MutL to the sliding beta-clamp is species specific.
Authors: Almawi, A.W. / Scotland, M.K. / Randall, J.R. / Liu, L. / Martin, H.K. / Sacre, L. / Shen, Y. / Pillon, M.C. / Simmons, L.A. / Sutton, M.D. / Guarne, A.

History

Deposition	Jul 28, 2018	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 1, 2019	Provider: repository / Type: Initial release
Revision 1.1	May 22, 2019	Group: Data collection / Database references / Category: citation Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.2	Oct 7, 2020	Group: Derived calculations Category: pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop
Revision 1.3	Mar 13, 2024	Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2 Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	6e8d.cif.gz	702.7 KB	Display	PDBx/mmCIF format
PDB format	pdb6e8d.ent.gz	584.9 KB	Display	PDB format
PDBx/mmJSON format	6e8d.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/e8/6e8d ftp://data.pdbj.org/pub/pdb/validation_reports/e8/6e8d	HTTPS FTP

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Related structure data

Related structure data	6e8eC C: citing same article (ref.)
Similar structure data	2d5v-d 3qax-d 3sbu-d 1m2n-d 4gll-d 6ega-1 5ggf-1 2qtr-d 5ere-d 5wqk-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) 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	#150 - Jun 2012 Sliding Clamps similarity (8)

Deposited unit

A: Beta sliding clamp,DNA mismatch repair protein MutL

B: Beta sliding clamp,DNA mismatch repair protein MutL

C: Beta sliding clamp,DNA mismatch repair protein MutL

D: Beta sliding clamp,DNA mismatch repair protein MutL

hetero molecules

230 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Beta sliding clamp,DNA mismatch repair protein MutL

C: Beta sliding clamp,DNA mismatch repair protein MutL

hetero molecules

defined by author&software
115 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Beta sliding clamp,DNA mismatch repair protein MutL

D: Beta sliding clamp,DNA mismatch repair protein MutL

defined by author&software
115 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	59.020, 83.890, 128.260
Angle α, β, γ (deg.)	80.30, 83.57, 89.96
Int Tables number	1
Space group name H-M	P1

#1: Protein	Beta sliding clamp,DNA mismatch repair protein MutL Mass: 57359.852 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus subtilis (bacteria) / Gene: B4417_2457, mutL, B4417_3449 / Production host: Escherichia coli (E. coli) References: UniProt: A0A085C685, UniProt: A0A164SDM9, UniProt: P05649*PLUS
#2: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₃H₈O₃
#3: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 170 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.71 Å³/Da / Density % sol: 54.62 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, hanging drop Details: 100 mM HEPES pH 7.5, 25 % PEG 3,350, 200 mM ammonium sulfate.

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: CLSI / Beamline: 08B1-1 / Wavelength: 0.97951 Å
Detector	Type: RAYONIX MX300HE / Detector: CCD / Date: May 27, 2016
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97951 Å / Relative weight: 1
Reflection	Resolution: 2.34→48.255 Å / Num. obs: 98638 / % possible obs: 97.1 % / Redundancy: 2.2 % / Net I/σ(I): 13.4
Reflection shell	Resolution: 2.34→2.42 Å

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Processing

Software

Name	Version	Classification
PHENIX	1.9_1692	refinement
XDS		data reduction
XDS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.34→48.255 Å / SU ML: 0.38 / Cross valid method: FREE R-VALUE / σ(F): 1.96 / Phase error: 29.65 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2502	1349	1.37 %
R_work	0.2159	-	-
obs	0.2164	98638	97.07 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.34→48.255 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13451	0	18	170	13639

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.004	13867
X-RAY DIFFRACTION	f_angle_d	0.732	18895
X-RAY DIFFRACTION	f_dihedral_angle_d	15.211	4989
X-RAY DIFFRACTION	f_chiral_restr	0.029	2348
X-RAY DIFFRACTION	f_plane_restr	0.003	2422

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.34-2.4236	0.3429	134	0.3302	9678	X-RAY DIFFRACTION	97
2.4236-2.5207	0.3621	135	0.3163	9721	X-RAY DIFFRACTION	97
2.5207-2.6354	0.3828	135	0.3071	9732	X-RAY DIFFRACTION	97
2.6354-2.7743	0.3469	134	0.2887	9749	X-RAY DIFFRACTION	97
2.7743-2.9481	0.271	136	0.2555	9748	X-RAY DIFFRACTION	97
2.9481-3.1757	0.2967	135	0.2357	9691	X-RAY DIFFRACTION	97
3.1757-3.4952	0.2491	135	0.2133	9798	X-RAY DIFFRACTION	97
3.4952-4.0007	0.2259	134	0.1918	9656	X-RAY DIFFRACTION	97
4.0007-5.0397	0.1929	134	0.1676	9697	X-RAY DIFFRACTION	97
5.0397-48.2655	0.2239	137	0.1976	9819	X-RAY DIFFRACTION	98

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	0.7957	-0.2207	0.0085	0.6115	0.5434	0.5403	0.0945	-0.068	0.0044	0.1103	0.0508	-0.1905	0.1296	0.1488	0.0353	0.171	-0.0157	-0.0765	0.1942	-0.0084	0.2859	8.1122	5.1846	153.5608
2	0.2405	-0.0685	0.3521	0.1583	0.3174	0.3713	0.1077	0.3839	-0.2768	-0.2144	-0.0516	-0.0199	0.104	-0.0934	-0	0.3335	0.0576	0.1084	0.3145	0.0351	0.6035	21.6831	-8.9946	138.1155
3	0.7034	0.084	-0.0145	0.5648	-0.4461	0.6656	-0.0305	0.0965	0.1011	-0.8322	-0.0924	-0.352	0.6066	0.0145	0.8735	0.8041	0.1856	0.0217	0.6044	-0.011	0.398	21.3941	-10.4726	123.2484
4	0.5002	-0.2794	0.0425	0.1474	-0.09	0.6468	0.1272	-0.2272	-0.1352	-0.3575	-0.1824	-0.2542	0.2207	-0.0874	-0.0211	0.4098	0.0859	-0.0053	0.2852	-0.047	0.3842	20.5174	-8.8161	131.1898
5	0.835	-0.0508	-1.0916	0.6328	0.1585	1.4471	0.2129	0.0875	0.1113	-0.7813	-0.1228	-0.4339	0.0165	-0.1788	0.1417	1.269	0.1558	0.3133	0.7544	0.0395	0.6987	26.5226	8.9547	104.7173
6	0.2141	0.0588	-0.1471	0.1466	-0.3457	0.4828	0.2944	0.117	0.0977	-0.6135	-0.206	-0.197	-0.3452	0.2507	0.2388	1.1962	0.1436	0.2563	0.8867	-0.0007	0.5766	25.6132	8.4364	99.8334
7	1.0212	0.2733	-0.5498	0.375	-0.0453	0.3276	0.1914	-0.2861	-0.0811	-0.7055	-0.2232	-0.2238	0.284	0.0608	-0.5781	0.9965	0.233	0.128	0.7016	0.0854	0.4145	26.3058	-1.1353	109.644
8	0.2826	-0.1867	-0.0802	0.2852	0.2849	0.3576	-0.2052	-0.021	0.193	-0.4073	0.2853	0.2178	-0.0465	0.3342	-0.056	1.0331	-0.2063	-0.1725	0.909	0.2102	1.0325	11.0636	-2.1608	99.2202
9	0.0085	0.0266	0.0148	-0.0076	0.0128	-0.0238	0.0986	-0.1348	-0.0748	-0.1017	0.2107	0.1409	0.4102	-0.4744	-0.0002	1.4033	-0.0066	-0.1605	1.0232	-0.0083	0.5928	5.2585	-14.4581	108.5298
10	0.0749	-0.0092	0.0408	0.0141	0.0226	0.1062	0.1301	-0.0872	-0.0985	-0.1076	0.1444	-0.0027	0.0631	-0.0326	0.0385	1.496	-0.3013	-0.6377	1.2161	0.0602	1.0187	-5.0972	-18.995	98.2917
11	0.0262	0.0039	0.0022	0.0256	0.0052	0.0069	-0.0886	0.3009	-0.0594	-0.1595	-0.0697	0.2677	0.0233	-0.3135	0.0001	2.6964	0.0952	-0.548	1.8121	-0.0229	1.2907	0.3971	-8.8865	93.6153
12	0.2783	0.0013	-0.233	0.3838	-0.258	0.3578	-0.6846	-0.1004	0.4793	-0.2246	0.2326	-0.1356	0.1903	0.2566	-0.4404	1.4267	0.242	-0.1827	0.8646	0.019	0.6498	5.9028	-8.8173	104.3931
13	0.0187	-0.1125	-0.1195	0.8231	0.6643	0.9336	0.3352	-0.1208	0.0761	-0.2921	0.1406	0.3989	-0.0658	-0.2215	-0.4224	1.3053	0.2128	-0.2158	1.3175	0.3268	1.1987	-3.2976	-7.5327	105.9113
14	-0.0053	0.0197	0.0086	0.0047	0.0057	-0.0039	0.0011	-0.205	0.2355	0.1679	-0.0439	0.149	-0.0868	-0.287	0.0003	2.3868	0.8023	-0.2449	1.5023	0.0349	2.099	-5.9053	1.9718	100.3095
15	0.8378	0.1855	-0.2754	0.7707	0.0167	1.8612	0.177	-0.0646	0.1208	-0.0426	0.0803	0.2312	0.0056	0.1788	0.8929	0.1874	-0.0313	-0.0804	0.2441	0.0046	0.3746	29.4289	45.199	153.0818
16	0.1818	-0.0508	-0.2506	0.3778	-0.456	0.5401	0.1152	0.0891	-0.0076	-0.039	0.0074	-0.0201	0.1191	-0.1692	0	0.2414	-0.023	-0.0852	0.2794	0.0159	0.3681	24.5171	45.7288	153.6083
17	0.9231	0.1506	0.1107	0.811	0.1579	0.3486	-0.0188	-0.0505	0.0198	0.0548	0.0182	-0.0587	0.2871	-0.0259	0.0033	0.1782	-0.0307	-0.0336	0.1796	0.0217	0.3085	22.9084	39.5656	165.0799
18	1.725	-1.6072	0.0921	1.4544	-0.0381	0.6056	0.0251	0.3308	-0.658	0.4159	0.2459	0.6085	0.3924	-0.3534	0.168	0.7513	-0.2462	0.1022	0.7844	-0.035	0.6631	9.5603	29.3027	180.7601
19	0.4803	0.0132	-0.1231	0.1211	0.5448	0.4847	0.2426	0.21	-0.0774	0.0733	-0.2951	0.3759	0.2218	0.1245	-0.0517	0.2634	-0.1461	0.0457	0.1588	0.0154	0.317	14.9471	34.0699	176.3841
20	0.1695	-0.0027	-0.0368	0.0162	0.0208	0.0144	0.2605	-0.0025	-0.0255	0.4222	-0.057	0.2865	-0.2322	0.1374	0.0914	1.2461	-0.03	0.3001	0.849	0.0278	0.7164	12.8098	54.8097	196.6985
21	0.5611	0.2236	0.1469	2.2296	-1.7168	1.4788	0.0881	-0.0882	0.2684	0.7046	0.2149	0.0546	0.3506	-0.3059	0.317	1.6323	-0.2297	0.3406	0.8697	-0.0659	0.7066	9.3007	47.8522	206.8356
22	0.6361	-0.7829	-0.1538	1.0331	0.2533	0.1206	-0.1052	-0.3706	-0.1765	0.7465	0.0914	0.5428	-0.4972	-0.3314	-0.0439	1.2929	-0.0321	0.2945	0.8315	0.0517	0.556	10.663	49.5277	205.9789
23	0.7948	-0.2194	-0.2765	0.3366	-0.0995	0.3245	0.1376	0.1739	0.6514	0.9061	-0.3954	0.5069	0.5829	0.0867	-0.4979	1.1198	-0.0909	0.2153	0.735	-0.0389	0.3017	13.5002	40.0167	197.0649
24	-0.0016	-0.0311	0.0314	0.0128	-0.0065	-0.0198	-0.3661	-0.5478	-0.2564	0.5952	-0.2924	-0.575	0.0892	0.2276	-0.0001	1.4287	0.498	-0.3618	1.264	-0.1832	1.1892	38.1932	23.6927	202.5972
25	1.8821	0.5078	-0.4068	0.1364	-0.1091	0.0916	-0.1016	1.1361	-2.1144	-0.5004	0.1809	-0.8381	1.0532	-0.0934	-0.0113	2.2034	0.9745	-0.2323	1.5339	0.5932	0.1848	33.3884	27.308	206.3446
26	0.556	0.2489	0.5543	0.1055	0.2439	0.5597	0.1069	0.4123	-0.3507	0.1271	0.5395	-0.2384	0.7786	0.4454	0.117	1.3801	0.2018	-0.4072	0.7996	-0.0535	0.6028	30.4709	36.5851	198.9176
27	0.5642	-0.2037	0.1633	0.1267	-0.1052	0.1156	0.1862	0.1097	0.0111	0.0179	0.3543	-0.3244	0.0368	-0.0378	0.1059	1.2577	0.0343	-0.2941	0.9731	-0.3974	0.9781	39.0565	33.862	199.2501
28	0.0071	-0.0077	0.0271	0.0227	-0.0087	-0.0169	0.1018	0.0193	0.0204	-0.0638	0.0768	-0.0222	-0.2071	0.1	-0.0001	1.5614	0.3576	-0.2062	1.8259	-0.2521	2.3539	43.1226	42.9216	204.3991
29	0.4145	-0.1784	-0.0319	0.1298	-0.2358	0.5606	-0.1225	-0.29	-0.2413	0.1957	0.242	0.341	-0.022	0.354	0.071	1.1634	-0.0086	0.2861	0.7258	-0.0444	0.4858	18.4444	34.8872	103.0754
30	0.2227	0.0062	0.2808	-0.0134	0.1098	0.7538	-0.1401	-0.0953	0.0774	0.1736	0.0026	-0.1761	0.1759	0.0513	-0.5532	0.9829	0.0201	0.2043	0.5951	0.0269	0.5159	13.4805	35.0325	105.3489
31	0.7417	-0.2838	-0.2494	1.3621	0.5864	0.2734	-0.2436	0.5589	-0.3208	-0.7514	0.1586	-0.4203	0.2353	0.0129	-0.4212	0.9522	0.1142	0.2444	0.677	0.0836	0.3604	22.176	27.1415	98.4853
32	0.3869	-0.1388	-0.3113	0.2059	-0.4089	0.4515	0.1461	0.0331	-0.0466	-0.3359	-0.1795	-0.2599	-0.2408	0.1744	0.1229	0.7984	0.0072	0.1186	0.5441	0.0121	0.3613	8.2761	40.9448	112.0259
33	0.7029	-0.1015	0.2059	0.6612	0.1322	0.7272	0.1883	0.1308	-0.087	-0.44	-0.1916	0.0275	-0.5031	-0.2738	0.0134	0.6659	0.0839	0.125	0.4231	0.0056	0.4408	-5.2654	44.881	129.2202
34	0.2754	0.1028	-0.2459	0.6004	0.1892	1.3196	0.2661	-0.0541	0.2424	-0.294	-0.0006	-0.1345	-0.5154	-0.008	0.1981	0.4969	0.0702	0.082	0.2488	0.0731	0.3755	-0.2668	44.1523	126.3766
35	-0.0201	0.0012	0.1202	0.0435	-0.1763	0.9178	0.1134	0.1743	0.0999	-0.4714	0.0974	-0.2881	0.3972	-0.2591	-0.0871	0.2411	-0.0211	-0.0732	0.3839	-0.0811	0.4798	1.799	23.7368	146.5282
36	0.3175	-0.4658	-0.0464	0.4467	-0.7832	1.3506	-0.0388	-0.1646	-0.216	0.191	0	-0.0443	-0.1814	-0.3081	0.1287	0.216	-0.0269	-0.0148	0.3026	-0.0278	0.5402	-4.0903	27.9335	155.7039
37	0.6306	-0.4565	0.4712	0.4899	-0.6625	0.6885	-0.001	-0.0241	-0.1157	0.1059	-0.1056	-0.0622	-0.0476	-0.0871	-0.0001	0.2628	-0.0049	0.0165	0.2843	-0.0058	0.4354	-7.0667	35.0859	146.084
38	0.6687	0.4934	0.1937	0.3411	0.1108	0.0689	0.4145	-0.3012	-0.4047	0.2078	-0.2083	-0.0543	-0.1197	-0.6088	-0.0405	0.2254	0.0991	-0.0519	0.4995	-0.1118	0.53	-22.0254	31.8513	132.8512
39	0.0055	0.0046	-0.0045	0.0047	0.0018	0.0005	-0.0976	-0.0935	-0.2012	-0.1248	-0.0395	0.1218	-0.0286	0.0166	-0.063	-0.2497	-0.9114	-1.0835	1.2389	-0.9678	1.5341	-37.3658	24.1066	130.3685
40	0.005	0.0072	-0.001	0.0333	0.0265	0.0048	-0.0735	-0.1252	0.0275	-0.1095	-0.0317	-0.0833	-0.0021	0.0284	0.0407	0.7181	0.0207	-0.2858	1.6678	0.7879	1.7948	-30.3281	28.7673	134.2771
41	0.3507	0.4157	0.1419	0.9074	-0.0882	0.2733	0.2222	0.2214	-0.3934	-0.2983	0.0239	-0.2284	0.1899	-0.0085	0.087	0.4378	-0.0007	-0.0776	0.5771	-0.1307	0.8147	-19.0185	25.4855	135.3798
42	0.0208	0.0113	0.0475	0.6306	-0.2547	0.4575	0.3938	0.0189	-0.1103	-0.0774	0.2633	0.4565	0.1278	0.1986	0.6579	0.9963	0.2269	-0.2703	0.8655	-0.4084	1.367	-21.5222	22.5291	129.1797
43	0.2791	0.056	0.2113	-0.0392	-0.0085	2.1461	0.2141	0.7666	0.5911	0.5624	-0.0878	-0.463	-0.1473	-0.2237	-0.0089	1.337	-0.1259	0.3505	0.5043	-0.1508	0.6058	19.0743	74.964	197.6072
44	0.6199	0.3004	0.3921	0.1249	0.1724	0.2589	0.3262	-0.4262	-0.2544	0.252	0.1416	-0.222	-0.3604	0.4024	0.0273	1.6043	-0.4312	0.3106	0.9147	-0.1226	0.7677	33.48	72.1399	201.125
45	0.2425	0.0295	0.052	0.2197	-0.2218	0.1975	0.0358	-0.4518	0.2224	0.4253	-0.0531	0.2353	-0.2112	0.4802	0.0834	1.2264	-0.1249	0.2793	0.7651	-0.1186	0.6122	26.2393	81.3534	198.6583
46	0.4368	-0.0435	-0.1536	0.0459	0.1302	0.3469	0.7574	-0.1865	-0.1379	-0.3602	-0.3642	0.5174	0.2361	-0.0695	0.0481	1.442	-0.0832	0.485	0.6624	-0.1451	0.7188	18.0551	74.2764	201.4798
47	0.1827	-0.0045	-0.295	0.0858	-0.0052	0.4164	0.091	-0.1705	0.1235	0.4236	-0.1886	0.3943	-0.2672	0.0042	0.0111	1.2536	-0.1544	0.3618	0.7981	-0.221	0.6426	15.2684	68.6743	206.7482
48	0.7645	0.2213	-0.443	0.1633	0.5999	0.3754	0.233	0.0038	0.393	0.4905	-0.3203	-0.1419	-0.3195	0.1088	-0.5498	0.7983	-0.1286	0.1172	0.3931	-0.0516	0.2462	35.3904	82.7395	186.1632
49	0.9677	0.2325	-0.6292	0.2054	-0.242	0.5729	0.325	-0.1799	0.1167	0.4366	-0.0721	-0.0411	-0.8064	0.1396	0.1147	0.8709	-0.0772	0.0849	0.5315	-0.0444	0.5849	39.8502	90.9029	174.6523
50	0.897	-0.7022	-0.2547	0.9026	0.2881	0.1841	0.0894	-0.0471	-0.666	0.3675	-0.0575	0.6359	-0.4755	0.0987	0.194	0.9306	-0.0683	0.1221	0.5371	-0.0972	0.4629	32.1511	85.1621	183.661
51	0.0537	-0.575	-0.7346	0.3804	-0.372	0.56	1.0522	1.2797	0.1337	0.153	-0.0331	0.0163	-0.2767	0.5433	0.2412	0.4955	-0.5218	0.2023	-0.7093	0.0369	0.4537	40.7097	86.0926	176.4431
52	0.1805	0.2944	-0.3217	0.3804	-0.469	0.7264	0.3029	-0.1246	0.1378	0.7116	0.3611	0.299	-0.0098	-0.2162	0.1628	0.2311	-0.0323	-0.1066	0.4101	0.0005	0.4017	34.3332	66.3342	158.6068
53	0.1248	-0.0063	-0.0783	0.2545	0.0228	0.012	-0.1161	0.2004	-0.1946	-0.1891	0.0696	-0.2327	0.0275	0.0211	-0.0006	0.2306	-0.0223	-0.0343	0.3322	0.0025	0.5501	41.0975	66.2742	150.7224
54	0.2792	0.1005	0.1133	0.3898	0.1291	0.1192	0.1058	0.0027	0.1267	-0.0158	-0.1326	0.0655	-0.0968	0.0849	0	0.3275	-0.016	0.0183	0.319	-0.01	0.4357	40.5882	78.3499	156.6061
55	0.1738	0.1442	0.0096	0.0867	-0.0784	0.064	0.3122	-0.0687	-0.4071	-0.4524	-0.3004	0.3987	-0.3002	0.0789	0.0004	0.3578	0.035	-0.0339	0.3199	-0.0311	0.5725	47.1997	76.8171	159.9685
56	0.3879	0.2132	-0.7497	2.1988	-0.0845	1.5725	0.4312	-0.6109	-0.6181	0.5841	-0.1243	-1.1626	-0.3542	0.966	-0.1032	0.4811	-0.174	-0.2271	0.7859	0.1257	0.854	59.0322	72.5823	171.8091
57	0.01	0.002	0.0028	0.0052	-0.0006	0.0232	-0.1072	0.2746	-0.1613	-0.1546	-0.0804	-0.0142	0.1657	0.0603	0.0002	1.2025	-0.1567	-0.0618	1.3077	-0.1171	2.3013	74.4527	65.6967	176.7702
58	0.0113	0.001	-0.0217	0.0126	-0.0276	0.034	-0.1576	-0.2431	-0.0688	0.1344	-0.0171	0.1369	0.1343	-0.0809	-0.0001	0.617	0.035	-0.1013	1.9778	-0.2539	1.9723	68.1954	72.1092	171.4508
59	0.321	-0.0863	-0.3576	0.2673	-0.0285	0.4882	-0.0482	-0.3869	0.234	0.3232	0.1541	-0.376	-0.0483	0.3896	0.0692	-0.3436	-0.0012	-0.4157	0.5004	0.0033	1.0397	60.9145	71.6682	169.8639
60	0.0575	-0.0255	0.1936	0.1451	0.0815	0.6284	0.3746	0.2537	-0.7966	0.3919	-0.2732	-0.046	0.0332	-0.0208	0.2839	0.5135	-0.1529	-0.2231	0.4999	0.3137	0.9794	54.707	63.9759	172.7826

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	( CHAIN A AND RESID 25:154 )	A	25 - 154
2	X-RAY DIFFRACTION	2	( CHAIN A AND RESID 155:179 )	A	155 - 179
3	X-RAY DIFFRACTION	3	( CHAIN A AND RESID 180:230 )	A	180 - 230
4	X-RAY DIFFRACTION	4	( CHAIN A AND RESID 231:293 )	A	231 - 293
5	X-RAY DIFFRACTION	5	( CHAIN A AND RESID 294:331 )	A	294 - 331
6	X-RAY DIFFRACTION	6	( CHAIN A AND RESID 332:363 )	A	332 - 363
7	X-RAY DIFFRACTION	7	( CHAIN A AND RESID 364:411 )	A	364 - 411
8	X-RAY DIFFRACTION	8	( CHAIN A AND RESID 415:420 )	A	415 - 420
9	X-RAY DIFFRACTION	9	( CHAIN A AND RESID 421:430 )	A	421 - 430
10	X-RAY DIFFRACTION	10	( CHAIN A AND RESID 431:439 )	A	431 - 439
11	X-RAY DIFFRACTION	11	( CHAIN A AND RESID 440:447 )	A	440 - 447
12	X-RAY DIFFRACTION	12	( CHAIN A AND RESID 448:472 )	A	448 - 472
13	X-RAY DIFFRACTION	13	( CHAIN A AND RESID 473:486 )	A	473 - 486
14	X-RAY DIFFRACTION	14	( CHAIN A AND RESID 487:503 )	A	487 - 503
15	X-RAY DIFFRACTION	15	( CHAIN B AND RESID 25:69 )	B	25 - 69
16	X-RAY DIFFRACTION	16	( CHAIN B AND RESID 70:120 )	B	70 - 120
17	X-RAY DIFFRACTION	17	( CHAIN B AND RESID 121:211 )	B	121 - 211
18	X-RAY DIFFRACTION	18	( CHAIN B AND RESID 212:230 )	B	212 - 230
19	X-RAY DIFFRACTION	19	( CHAIN B AND RESID 231:299 )	B	231 - 299
20	X-RAY DIFFRACTION	20	( CHAIN B AND RESID 300:314 )	B	300 - 314
21	X-RAY DIFFRACTION	21	( CHAIN B AND RESID 320:330 )	B	320 - 330
22	X-RAY DIFFRACTION	22	( CHAIN B AND RESID 331:363 )	B	331 - 363
23	X-RAY DIFFRACTION	23	( CHAIN B AND RESID 364:424 )	B	364 - 424
24	X-RAY DIFFRACTION	24	( CHAIN B AND RESID 425:439 )	B	425 - 439
25	X-RAY DIFFRACTION	25	( CHAIN B AND RESID 440:457 )	B	440 - 457
26	X-RAY DIFFRACTION	26	( CHAIN B AND RESID 458:472 )	B	458 - 472
27	X-RAY DIFFRACTION	27	( CHAIN B AND RESID 473:485 )	B	473 - 485
28	X-RAY DIFFRACTION	28	( CHAIN B AND RESID 486:503 )	B	486 - 503
29	X-RAY DIFFRACTION	29	( CHAIN C AND RESID 27:52 )	C	27 - 52
30	X-RAY DIFFRACTION	30	( CHAIN C AND RESID 53:119 )	C	53 - 119
31	X-RAY DIFFRACTION	31	( CHAIN C AND RESID 120:140 )	C	120 - 140
32	X-RAY DIFFRACTION	32	( CHAIN C AND RESID 141:179 )	C	141 - 179
33	X-RAY DIFFRACTION	33	( CHAIN C AND RESID 180:230 )	C	180 - 230
34	X-RAY DIFFRACTION	34	( CHAIN C AND RESID 231:299 )	C	231 - 299
35	X-RAY DIFFRACTION	35	( CHAIN C AND RESID 300:317 )	C	300 - 317
36	X-RAY DIFFRACTION	36	( CHAIN C AND RESID 319:357 )	C	319 - 357
37	X-RAY DIFFRACTION	37	( CHAIN C AND RESID 358:417 )	C	358 - 417
38	X-RAY DIFFRACTION	38	( CHAIN C AND RESID 418:430 )	C	418 - 430
39	X-RAY DIFFRACTION	39	( CHAIN C AND RESID 431:443 )	C	431 - 443
40	X-RAY DIFFRACTION	40	( CHAIN C AND RESID 444:458 )	C	444 - 458
41	X-RAY DIFFRACTION	41	( CHAIN C AND RESID 459:472 )	C	459 - 472
42	X-RAY DIFFRACTION	42	( CHAIN C AND RESID 473:481 )	C	473 - 481
43	X-RAY DIFFRACTION	43	( CHAIN D AND RESID 32:52 )	D	32 - 52
44	X-RAY DIFFRACTION	44	( CHAIN D AND RESID 53:69 )	D	53 - 69
45	X-RAY DIFFRACTION	45	( CHAIN D AND RESID 70:90 )	D	70 - 90
46	X-RAY DIFFRACTION	46	( CHAIN D AND RESID 91:120 )	D	91 - 120
47	X-RAY DIFFRACTION	47	( CHAIN D AND RESID 121:140 )	D	121 - 140
48	X-RAY DIFFRACTION	48	( CHAIN D AND RESID 141:211 )	D	141 - 211
49	X-RAY DIFFRACTION	49	( CHAIN D AND RESID 212:230 )	D	212 - 230
50	X-RAY DIFFRACTION	50	( CHAIN D AND RESID 231:258 )	D	231 - 258
51	X-RAY DIFFRACTION	51	( CHAIN D AND RESID 259:299 )	D	259 - 299
52	X-RAY DIFFRACTION	52	( CHAIN D AND RESID 300:317 )	D	300 - 317
53	X-RAY DIFFRACTION	53	( CHAIN D AND RESID 319:348 )	D	319 - 348
54	X-RAY DIFFRACTION	54	( CHAIN D AND RESID 349:393 )	D	349 - 393
55	X-RAY DIFFRACTION	55	( CHAIN D AND RESID 394:416 )	D	394 - 416
56	X-RAY DIFFRACTION	56	( CHAIN D AND RESID 417:430 )	D	417 - 430
57	X-RAY DIFFRACTION	57	( CHAIN D AND RESID 431:440 )	D	431 - 440
58	X-RAY DIFFRACTION	58	( CHAIN D AND RESID 450:457 )	D	450 - 457
59	X-RAY DIFFRACTION	59	( CHAIN D AND RESID 458:465 )	D	458 - 465
60	X-RAY DIFFRACTION	60	( CHAIN D AND RESID 466:480 )	D	466 - 480

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