PDB-4dip: Crystal structure of human Peptidyl-prolyl cis-trans isomerase FKBP14

ID or keywords:

Entry

Database: PDB / ID: 4dip

Title

Crystal structure of human Peptidyl-prolyl cis-trans isomerase FKBP14

Components

Peptidyl-prolyl cis-trans isomerase FKBP14

Keywords

ISOMERASE /

Structural Genomics /

Structural Genomics Consortium / SGC /

Peptidyl-prolyl cis-trans isomerase

Function / homology

Function and homology information

XBP1(S) activates chaperone genes /

peptidylprolyl isomerase /

peptidyl-prolyl cis-trans isomerase activity /

endoplasmic reticulum lumen /

calcium ion binding
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.82 Å

Authors

Krojer, T. / Kiyani, W. / Goubin, S. / Muniz, J.R.C. / Filippakopoulos, P. / Arrowsmith, C.H. / Edwards, A. / Bountra, C. / von Delft, F. / Oppermann, U. ...

Citation

Journal: To be Published
Title: Crystal structure of human Peptidyl-prolyl cis-trans isomerase FKBP14
Authors: Krojer, T. / Kiyani, W. / Goubin, S. / Muniz, J.R.C. / Filippakopoulos, P. / Arrowsmith, C.H. / Edwards, A. / Bountra, C. / von Delft, F. / Oppermann, U. / Zschocke, J. / Yue, W.W. / ...

History

Deposition	Jan 31, 2012	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 22, 2012	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4dip.cif.gz	481.5 KB	Display	PDBx/mmCIF format
PDB format	pdb4dip.ent.gz	415.1 KB	Display	PDB format
PDBx/mmJSON format	4dip.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

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

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Related structure data

Similar structure data	1wi4-d 1a1i-d 2kgs-d 2row-d 1unp-d 2f2d-d 3f9y-2 2w0g-d 3nje-1 1bsz-1 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) 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

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#108 - Dec 2008 Hsp90 similarity (1) #110 - Feb 2009 Auxin and TIR1 Ubiquitin Ligase similarity (1) #163 - Jul 2013 HIV Capsid similarity (1) #245 - May 2020 Spliceosomes similarity (1)

Deposited unit

A: Peptidyl-prolyl cis-trans isomerase FKBP14

B: Peptidyl-prolyl cis-trans isomerase FKBP14

C: Peptidyl-prolyl cis-trans isomerase FKBP14

D: Peptidyl-prolyl cis-trans isomerase FKBP14

E: Peptidyl-prolyl cis-trans isomerase FKBP14

F: Peptidyl-prolyl cis-trans isomerase FKBP14

G: Peptidyl-prolyl cis-trans isomerase FKBP14

H: Peptidyl-prolyl cis-trans isomerase FKBP14

I: Peptidyl-prolyl cis-trans isomerase FKBP14

J: Peptidyl-prolyl cis-trans isomerase FKBP14

hetero molecules

140 kDa, 10 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Peptidyl-prolyl cis-trans isomerase FKBP14

defined by author
14 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Peptidyl-prolyl cis-trans isomerase FKBP14

hetero molecules

defined by author
14.1 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: Peptidyl-prolyl cis-trans isomerase FKBP14

defined by author
14 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

D: Peptidyl-prolyl cis-trans isomerase FKBP14

defined by author
14 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

E: Peptidyl-prolyl cis-trans isomerase FKBP14

defined by author
14 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

6

F: Peptidyl-prolyl cis-trans isomerase FKBP14

defined by author
14 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

7

G: Peptidyl-prolyl cis-trans isomerase FKBP14

hetero molecules

defined by author
14.1 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

8

H: Peptidyl-prolyl cis-trans isomerase FKBP14

defined by author
14 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

9

I: Peptidyl-prolyl cis-trans isomerase FKBP14

defined by author
14 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

10

J: Peptidyl-prolyl cis-trans isomerase FKBP14

defined by author
14 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	63.120, 64.060, 80.810
Angle α, β, γ (deg.)	81.23, 75.21, 73.38
Int Tables number	1
Space group name H-M	P1

#1: Protein	Peptidyl-prolyl cis-trans isomerase FKBP14 / PPIase FKBP14 / 22 kDa FK506-binding protein / 22 kDa FKBP / FKBP-22 / FK506-binding protein 14 / ...PPIase FKBP14 / 22 kDa FK506-binding protein / 22 kDa FKBP / FKBP-22 / FK506-binding protein 14 / FKBP-14 / Rotamase Mass: 14032.390 Da / Num. of mol.: 10 / Fragment: unp residues 19-138 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: FKBP14, FKBP22, UNQ322/PRO381 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9NWM8, peptidylprolyl isomerase
#2: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Na
#3: Chemical	ChemComp-PO4 / PHOSPHATE ION / Phosphate Mass: 94.971 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: PO₄
#4: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 853 / 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: 2.15 Å³/Da / Density % sol: 42.77 %
Crystal grow	Temperature: 277 K / pH: 7.2 Details: 18% PEG_3350, 0.1M HEPES, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9763
Detector	Type: PSI PILATUS 6M / Detector: PIXEL / Date: Dec 14, 2011
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9763 Å / Relative weight: 1
Reflection	Resolution: 1.82→58.95 Å / Num. obs: 101237 / % possible obs: 96.6 % / Observed criterion σ(I): -3 / Redundancy: 3.2 % / R_sym value: 0.099 / Net I/σ(I): 8
Reflection shell	Resolution: 1.82→1.86 Å / Redundancy: 3.3 % / Mean I/σ(I) obs: 3 / R_sym value: 0.481 / % possible all: 95.8

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Processing

Software

Name	Version	Classification
GDA		data collection
PHASER		phasing
REFMAC	5.6.0117	refinement
MOSFLM		data reduction
Aimless		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.82→58.95 Å / Cor.coef. F_o:F_c: 0.944 / Cor.coef. F_o:F_c free: 0.926 / SU B: 6.038 / SU ML: 0.096 / Cross valid method: THROUGHOUT / σ(F): -3 / ESU R: 0.165 / ESU R Free: 0.142 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.231	5064	5 %	RANDOM
R_work	0.203	-	-	-
obs	0.205	96170	96.6 %	-
all	-	96170	-	-

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: 17.32 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.04 Å²	0.26 Å²	-0.14 Å²
2-	-	-0.03 Å²	-0.37 Å²
3-	-	-	0.1 Å²

Refinement step

Cycle: LAST / Resolution: 1.82→58.95 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9328	0	6	853	10187

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.014	0.019	9716
X-RAY DIFFRACTION	r_bond_other_d	0.01	0.02	6877
X-RAY DIFFRACTION	r_angle_refined_deg	1.684	1.99	13151
X-RAY DIFFRACTION	r_angle_other_deg	1.798	3.002	16936
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.047	5	1236
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	31.702	24.83	383
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.305	15	1775
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	5.977	15	29
X-RAY DIFFRACTION	r_chiral_restr	0.096	0.2	1408
X-RAY DIFFRACTION	r_gen_planes_refined	0.01	0.021	10613
X-RAY DIFFRACTION	r_gen_planes_other	0.009	0.02	1785
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
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it
X-RAY DIFFRACTION	r_scbond_it
X-RAY DIFFRACTION	r_scangle_it
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 1.82→1.87 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.308	397	-
R_work	0.252	7014	-
obs	-	-	96.01 %

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	11.1351	1.5102	6.2086	0.4007	1.5379	6.1139	0.0235	0.0856	0.2151	0.0122	-0.0781	0.045	-0.0246	-0.1538	0.0546	0.0944	-0.032	-0.0185	0.0847	-0.0388	0.1585	-36.952	28.121	-56.635
2	1.3768	2.5795	0.8755	6.3384	1.6989	0.56	-0.2208	0.1003	0.2027	-0.3681	0.1156	0.253	-0.1329	0.0661	0.1052	0.1148	-0.0898	-0.0488	0.1034	-0.0133	0.1268	-14.948	42.368	-51.474
3	3.3935	1.877	-1.0596	1.6296	0.2806	2.9103	0.0479	-0.2641	-0.1429	-0.01	-0.1128	-0.1745	0.101	0.1959	0.0648	0.0478	-0.0028	-0.0055	0.0842	-0.0119	0.0986	-18.014	24.361	-47.347
4	8.3715	-1.4512	3.165	7.0558	-1.6915	1.6431	0.3679	-0.0559	-1.2148	-0.0566	0.2508	-0.1004	0.1161	0.3045	-0.6187	0.0298	-0.0314	-0.0163	0.577	-0.2386	0.396	-9.217	23.158	-48.282
5	1.376	1.0259	-0.0962	2.1799	0.2263	0.7912	-0.0883	0.0458	0.0164	-0.1914	0.0393	0.0149	-0.0471	0.0793	0.049	0.0555	-0.0231	-0.024	0.1045	-0.0157	0.0716	-20.045	25.772	-53.49
6	32.0067	5.9392	5.653	11.6395	0.0177	3.892	-0.2561	0.2022	-1.2817	0.0857	0.1953	-0.1966	0.1087	0.1855	0.0608	0.0241	-0.0025	0.0232	0.2029	-0.0686	0.1254	-37.241	43.747	-15.442
7	0.0781	0.6068	0.0878	4.9541	0.7441	0.1254	0.0182	-0.0146	0.0859	0.0083	-0.0955	0.5374	-0.0352	-0.041	0.0773	0.1297	0.0001	0.0303	0.2058	-0.0285	0.1746	-14.192	55.915	-4.529
8	1.4964	0.0403	-0.085	1.7408	-0.5456	1.0619	-0.002	0.0551	-0.2362	-0.0923	-0.0532	-0.0938	0.2131	-0.0316	0.0552	0.065	-0.024	-0.0215	0.0855	-0.0268	0.1101	-10.4	40.3	-3.673
9	1.1561	2.0832	0.8879	4.9696	0.7935	2.6008	0.1397	0.0763	0.0203	-0.0064	0.0618	0.2164	0.2493	-0.0687	-0.2015	0.0886	0.0025	-0.0582	0.1273	-0.0175	0.1328	-18.32	42.421	-7.732
10	0.7723	1.5264	0.2442	4.4899	-1.408	2.9222	0.0738	-0.067	0.0589	-0.1771	-0.0408	0.1496	0.3453	-0.0468	-0.0329	0.104	-0.0159	-0.0154	0.0762	-0.0153	0.0834	-13.444	42.868	-5.852
11	33.1225	9.3698	14.936	6.1551	2.823	7.3053	1.5723	-0.8108	-0.698	0.8536	-1.0333	0.1437	0.5967	-0.0311	-0.539	0.2904	-0.0213	-0.1853	0.3809	-0.218	0.3947	43.112	31.789	-13.987
12	3.0477	0.4297	-1.9317	0.4702	-0.6801	2.3143	0.2484	-0.3976	0.2327	0.1756	-0.0716	0.0578	-0.1406	0.0847	-0.1769	0.1251	-0.0666	-0.0027	0.1874	-0.0307	0.1262	19.372	24.436	-15.064
13	3.2393	2.269	-1.6586	5.1262	-2.3233	2.3503	-0.0635	0.2556	0.098	-0.1266	0.0292	-0.0168	-0.0493	-0.1776	0.0343	0.0586	-0.0254	-0.043	0.0956	0.0053	0.0624	27.498	27.563	-32.153
14	1.4095	0.2489	-0.9052	1.3842	-0.0852	1.236	-0.0439	-0.0825	-0.172	-0.0507	0.024	-0.0306	0.1072	-0.054	0.0199	0.0575	-0.0297	-0.0306	0.07	-0.0011	0.0849	27.339	19.974	-23.852
15	3.1993	0.8443	-1.0384	0.9103	-0.6875	1.3275	-0.0656	-0.0548	-0.0283	-0.0555	0.0293	-0.0234	0.0873	-0.0048	0.0363	0.0557	-0.0159	-0.0226	0.0694	-0.0094	0.0632	32.2	25.687	-26.478
16	4.7411	0.9262	2.9751	0.7976	0.8317	2.1873	0.2102	-0.0672	0.0098	0.1473	-0.0633	-0.027	0.078	-0.0927	-0.1469	0.088	-0.0036	0.0468	0.116	-0.0267	0.1256	11.16	15.233	10.171
17	0.4899	0.5429	0.4704	1.3439	0.4901	2.0049	0.0018	0.1331	0.0044	-0.0554	-0.0012	0.0091	-0.1595	0.1955	-0.0006	0.0557	-0.0296	-0.0194	0.1068	0.0284	0.1002	25.983	13.704	5.257
18	7.5735	0.6117	-2.3569	0.372	-0.3929	1.7665	-0.1907	-0.3188	-0.1784	0.0906	0.0287	-0.1277	0.0701	0.0512	0.162	0.079	-0.0209	-0.0351	0.0983	0.0225	0.1078	19.739	-0.899	17.2
19	1.8874	0.9992	0.06	1.3774	-0.4551	0.4338	0.0251	0.1105	0.041	0.029	-0.0268	0.0119	-0.0344	-0.0698	0.0017	0.0579	-0.0087	-0.0146	0.1329	-0.0005	0.083	17.307	7.847	6.316
20	2.2472	1.568	-0.5156	2.1604	-0.6	1.2529	0.0519	0.0322	0.011	0.0442	-0.0306	-0.0398	0.0264	-0.0193	-0.0213	0.0391	0.0136	-0.021	0.0647	-0.0046	0.0567	18.045	3.289	8.852
21	9.6384	3.3617	5.3446	1.4186	2.1967	4.8788	0.0834	-0.0288	0.1069	0.0851	-0.0814	-0.0163	0.1689	-0.0243	-0.002	0.0639	-0.0079	-0.0258	0.0476	0.0005	0.142	-16.908	22.156	-24.859
22	13.0872	11.8078	0.5388	15.6728	0.9346	0.0626	-0.1125	0.4895	0.1583	-0.2381	0.077	0.3043	-0.0183	-0.016	0.0355	0.0954	-0.0531	-0.0342	0.1416	-0.0837	0.1733	1.242	36.382	-15.894
23	1.2358	0.1024	0.0754	0.715	-0.1427	1.4163	-0.0776	0.0053	-0.1782	-0.0045	-0.0229	-0.0957	-0.018	0.0939	0.1005	0.0367	-0.0249	-0.0124	0.0952	-0.0131	0.0775	2.375	17.791	-20.365
24	0.8574	1.2068	-0.41	2.5926	0.2686	1.3706	-0.0544	0.0891	0.0509	0.0232	0.0621	0.1387	0.065	0.0684	-0.0077	0.0537	-0.0148	-0.0317	0.1104	-0.0288	0.1047	-6.001	16.39	-23.797
25	2.4784	1.9684	-0.3066	2.8448	-0.7445	1.6081	0.0046	-0.0332	-0.1403	-0.0813	-0.0984	-0.0591	-0.016	0.1563	0.0938	0.0423	-0.0049	0.0006	0.0811	-0.0112	0.0799	0.539	20.505	-22.223
26	11.5411	0.4582	3.1825	0.7226	-0.3031	1.2961	0.0188	0.0895	0.1491	0.0804	-0.0812	0.0326	0.0658	0.0237	0.0624	0.0924	-0.0318	0.0071	0.1163	-0.0552	0.0796	22.892	57.441	-0.548
27	2.4573	0.6148	-0.6999	1.1588	0.0805	0.5628	0.0162	-0.2032	-0.0876	0.0671	0.0264	0.0387	0.1416	-0.0465	-0.0425	0.077	-0.0272	-0.0261	0.156	-0.0024	0.1042	7.333	45.341	-2.693
28	4.281	2.4096	-2.5669	10.0623	-0.56	2.5692	-0.0362	0.0416	0.2484	-0.2593	-0.0772	0.0511	-0.043	-0.2415	0.1134	0.0975	-0.0297	-0.0221	0.1082	-0.0351	0.1002	18.357	58.015	-18.354
29	0.5902	0.9444	-0.4564	3.1493	0.4305	1.8641	-0.1561	0.1178	-0.2044	-0.3834	0.2783	-0.2113	0.0117	0.0499	-0.1223	0.0899	-0.0581	0.0268	0.1516	-0.0572	0.2685	13.044	43.514	-14.672
30	1.1405	0.2937	-0.4005	1.0258	-0.4878	1.257	0.0542	-0.0907	-0.0591	-0.0047	-0.0093	-0.0601	-0.0103	0.1291	-0.0448	0.0207	-0.0083	-0.0101	0.1211	-0.0455	0.0862	18.865	50.756	-9.568
31	12.892	2.119	4.7486	0.9418	0.1803	2.4023	-0.0623	-0.0337	0.3411	-0.0349	-0.0713	0.0523	0.0755	0.0284	0.1337	0.1136	-0.0293	0.0016	0.0919	-0.0504	0.1417	-10.331	21.181	15.915
32	1.6674	-0.2306	-0.125	1.2119	-0.2699	0.339	-0.0641	-0.1977	-0.1284	0.0069	0.0235	-0.0081	0.0174	-0.0422	0.0405	0.058	-0.0209	-0.0074	0.1399	0.0001	0.0663	-23.002	8.004	12.827
33	4.2714	4.3149	0.9677	18.4844	0.9376	0.2227	-0.1928	0.0792	0.5581	-0.0248	0.0662	0.3485	-0.0576	0.0056	0.1266	0.1205	-0.0214	-0.0198	0.1333	-0.0016	0.1059	-11.367	23.797	-1.122
34	1.1566	0.9755	-0.016	0.9339	0.2235	0.5261	0.019	-0.0298	-0.076	0.0211	-0.0077	-0.0799	-0.014	0.0575	-0.0113	0.0528	-0.0057	-0.0019	0.0941	-0.0044	0.0811	-14.108	12.082	5.47
35	2.0292	0.6956	-0.1836	1.0516	-0.1906	0.544	0.0245	0.0402	-0.0103	0.0002	0.0137	-0.0286	-0.0083	0.0794	-0.0381	0.0677	-0.0084	-0.0073	0.0934	-0.0289	0.0561	-11.868	13.02	4.118
36	11.6895	3.9494	5.4152	1.7928	1.1678	3.6953	0.0778	0.0535	0.5091	0.1227	-0.117	0.2035	0.0637	0.0575	0.0392	0.1585	-0.0728	-0.0363	0.2066	0.0012	0.2003	18.65	41.077	-46.514
37	2.0241	-0.386	-0.1778	0.4522	-0.0717	0.0555	-0.1071	-0.1522	-0.1038	-0.006	0.1193	0.1385	0.0472	-0.0457	-0.0122	0.1302	-0.0521	0.0073	0.2012	-0.0368	0.1177	3.266	28.904	-48.26
38	7.2813	5.6046	-0.0196	8.0783	-0.8999	0.3628	-0.0209	0.229	0.1271	-0.2173	-0.0154	0.0487	0.0466	-0.0892	0.0363	0.0865	-0.0043	-0.023	0.135	-0.0098	0.0552	13.623	37.342	-65.257
39	3.2959	0.2021	-3.2761	4.2028	-3.7571	15.8206	-0.075	0.2719	-0.1911	-0.6892	-0.0008	0.1582	0.7712	-0.2914	0.0759	0.1388	-0.0468	0.0029	0.1008	-0.0694	0.1396	6.057	24.888	-63.659
40	1.8471	0.0762	-0.4445	0.9626	0.1329	0.3413	-0.0169	-0.0677	-0.0096	0.1041	0.0081	-0.0145	0.0801	-0.0076	0.0088	0.068	-0.0043	-0.0045	0.1026	-0.0164	0.0774	14.594	31.895	-54.204
41	15.0989	3.7622	9.0096	2.9508	2.3181	8.0221	0.1361	0.1623	0.2172	0.3779	-0.1608	0.1241	0.4154	0.0448	0.0247	0.1632	0.0131	-0.017	0.0649	-0.0072	0.08	15.65	56.926	-42.367
42	5.7787	2.3001	-13.21	8.8132	-1.2582	32.2263	0.065	0.1707	0.1908	-0.748	0.223	0.3568	-0.4395	-0.3431	-0.288	0.4179	-0.2782	-0.1429	0.2482	-0.0056	0.3916	36.701	71.326	-35.506
43	1.5934	-0.6335	-1.1908	4.2086	-1.1326	4.7079	-0.1209	0.0434	0.1881	-0.0251	-0.1014	-0.5023	-0.4403	0.3304	0.2223	0.1193	-0.0879	-0.0485	0.1256	0.0346	0.1426	38.19	58.646	-42.139
44	11.1794	2.3343	-3.2855	1.0002	0.3532	3.3637	-0.1569	-0.3954	-0.2657	0.0783	-0.0979	-0.0533	0.1117	0.0705	0.2548	0.1321	0.0211	-0.0643	0.1227	0.0323	0.145	32.941	47.455	-29.056
45	1.6483	0.3449	-0.1473	1.8803	-0.4665	1.7277	-0.0908	0.0808	0.0468	-0.0357	-0.0061	-0.1314	-0.154	0.0466	0.0969	0.0481	-0.0142	-0.0322	0.0858	0.0031	0.0834	30.542	52.551	-39.787
46	9.3153	3.5103	5.6493	3.1066	2.3212	3.4657	0.1716	-0.7568	0.4334	0.2102	-0.4111	0.4624	0.1374	-0.4278	0.2395	0.0525	-0.0189	-0.0103	0.225	-0.1147	0.2038	-0.465	66.221	-32.437
47	3.2687	-1.1645	1.8634	1.0579	-0.2246	7.5578	-0.1864	-0.4387	-0.0555	0.0661	0.0089	0.0433	0.5119	-0.7054	0.1775	0.1205	-0.0792	-0.035	0.2535	0.0122	0.1625	-7.043	52.225	-35.539
48	5.2462	3.2033	0.6823	13.0754	-1.8906	2.4411	0.2559	0.2547	-0.1182	-0.334	-0.309	-0.0592	0.1685	-0.1718	0.0531	0.1235	-0.0112	-0.0904	0.1196	0.0015	0.1018	0.081	64.267	-51.302
49	2.0591	0.6106	-0.522	0.5714	-0.2383	1.045	-0.081	-0.1261	0.047	-0.1492	0.0417	0.1053	0.1409	-0.0651	0.0392	0.0673	-0.0238	-0.0575	0.0861	-0.0034	0.1079	-0.071	57.424	-40.916
50	1.9379	1.0291	0.1113	1.6918	-0.3749	2.3016	-0.0225	-0.1331	0.1095	-0.3571	0.0086	0.1901	0.1809	0.0645	0.0139	0.1162	-0.0103	-0.0683	0.057	0.0011	0.1164	3.108	59.639	-44.82

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	17 - 30
2	X-RAY DIFFRACTION	2	A	31 - 43
3	X-RAY DIFFRACTION	3	A	44 - 63
4	X-RAY DIFFRACTION	4	A	64 - 78
5	X-RAY DIFFRACTION	5	A	79 - 138
6	X-RAY DIFFRACTION	6	B	18 - 25
7	X-RAY DIFFRACTION	7	B	26 - 43
8	X-RAY DIFFRACTION	8	B	44 - 82
9	X-RAY DIFFRACTION	9	B	83 - 118
10	X-RAY DIFFRACTION	10	B	119 - 138
11	X-RAY DIFFRACTION	11	C	19 - 28
12	X-RAY DIFFRACTION	12	C	29 - 46
13	X-RAY DIFFRACTION	13	C	47 - 68
14	X-RAY DIFFRACTION	14	C	69 - 99
15	X-RAY DIFFRACTION	15	C	100 - 138
16	X-RAY DIFFRACTION	16	D	20 - 37
17	X-RAY DIFFRACTION	17	D	38 - 52
18	X-RAY DIFFRACTION	18	D	53 - 73
19	X-RAY DIFFRACTION	19	D	74 - 113
20	X-RAY DIFFRACTION	20	D	114 - 138
21	X-RAY DIFFRACTION	21	E	19 - 32
22	X-RAY DIFFRACTION	22	E	33 - 38
23	X-RAY DIFFRACTION	23	E	39 - 82
24	X-RAY DIFFRACTION	24	E	83 - 121
25	X-RAY DIFFRACTION	25	E	122 - 138
26	X-RAY DIFFRACTION	26	F	19 - 33
27	X-RAY DIFFRACTION	27	F	34 - 52
28	X-RAY DIFFRACTION	28	F	53 - 65
29	X-RAY DIFFRACTION	29	F	66 - 82
30	X-RAY DIFFRACTION	30	F	83 - 137
31	X-RAY DIFFRACTION	31	G	19 - 34
32	X-RAY DIFFRACTION	32	G	35 - 52
33	X-RAY DIFFRACTION	33	G	53 - 60
34	X-RAY DIFFRACTION	34	G	61 - 112
35	X-RAY DIFFRACTION	35	G	113 - 138
36	X-RAY DIFFRACTION	36	H	19 - 33
37	X-RAY DIFFRACTION	37	H	34 - 52
38	X-RAY DIFFRACTION	38	H	53 - 68
39	X-RAY DIFFRACTION	39	H	69 - 76
40	X-RAY DIFFRACTION	40	H	77 - 137
41	X-RAY DIFFRACTION	41	I	17 - 32
42	X-RAY DIFFRACTION	42	I	33 - 38
43	X-RAY DIFFRACTION	43	I	39 - 53
44	X-RAY DIFFRACTION	44	I	54 - 73
45	X-RAY DIFFRACTION	45	I	74 - 136
46	X-RAY DIFFRACTION	46	J	20 - 38
47	X-RAY DIFFRACTION	47	J	39 - 51
48	X-RAY DIFFRACTION	48	J	52 - 68
49	X-RAY DIFFRACTION	49	J	69 - 112
50	X-RAY DIFFRACTION	50	J	113 - 137

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