PDB-2pbc: FK506-binding protein 2

ID or keywords:

Entry

Database: PDB / ID: 2pbc

Title

FK506-binding protein 2

Components

FK506-binding protein 2

Keywords

ISOMERASE /

Endoplasmic reticulum / Polymorphism / Rotamase /

Structural Genomics /

Structural Genomics Consortium / SGC

Function / homology

Function and homology information

FK506 binding / chaperone-mediated protein folding /

peptidylprolyl isomerase /

peptidyl-prolyl cis-trans isomerase activity / endoplasmic reticulum membrane /

endoplasmic reticulum
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

MOLECULAR REPLACEMENT / Resolution: 1.8 Å

Authors

Walker, J.R. / Neculai, D. / Davis, T. / Butler-Cole, C. / Sicheri, F. / Weigelt, J. / Sundstrom, M. / Arrowsmith, C.H. / Edwards, A.M. / Bochkarev, A. ...

Citation

Journal: To be Published
Title: Structure of FK506-Binding Protein 2
Authors: Walker, J.R. / Neculai, D. / Davis, T. / Butler-Cole, C. / Sicheri, F. / Weigelt, J. / Sundstrom, M. / Arrowsmith, C.H. / Edwards, A.M. / Bochkarev, A. / Dhe-Paganon, S.

History

Deposition	Mar 28, 2007	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 10, 2007	Provider: repository / Type: Initial release
Revision 1.1	May 1, 2008	Group: Version format compliance
Revision 1.2	Jul 13, 2011	Group: Version format compliance
Revision 1.3	Aug 30, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Remark 300

BIOMOLECULE: 1, 2 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 4 ...

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2pbc.cif.gz	176.7 KB	Display	PDBx/mmCIF format
PDB format	pdb2pbc.ent.gz	143.5 KB	Display	PDB format
PDBx/mmJSON format	2pbc.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/pb/2pbc ftp://data.pdbj.org/pub/pdb/validation_reports/pb/2pbc	HTTPS FTP

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Related structure data

Related structure data	1y0oS S: Starting model for refinement
Similar structure data	2ywy-2 2nqc-d 4fka-d 5mj1-d 3bd4-2 1iv7-1 5o5i-d 4n68-d 1m5a-d 5mix-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) 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

Related structure data

1y0oS

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#163 - Jul 2013 HIV Capsid similarity (1) #245 - May 2020 Spliceosomes similarity (1)

Deposited unit

A: FK506-binding protein 2

B: FK506-binding protein 2

C: FK506-binding protein 2

D: FK506-binding protein 2

hetero molecules

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

1

A: FK506-binding protein 2

hetero molecules

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

2

B: FK506-binding protein 2

hetero molecules

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

3

C: FK506-binding protein 2

hetero molecules

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

4

D: FK506-binding protein 2

hetero molecules

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

Unit cell

Length a, b, c (Å)	42.430, 39.335, 108.316
Angle α, β, γ (deg.)	90.00, 91.28, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	FK506-binding protein 2 / Peptidyl-prolyl cis-trans isomerase / PPIase / Rotamase / 13 kDa FKBP / FKBP-13 Mass: 11182.800 Da / Num. of mol.: 4 / Fragment: Residues 43-142 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: FKBP2, FKBP13 / Plasmid: pET28-LIC / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: P26885, peptidylprolyl isomerase
#2: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER / Diethylene glycol Mass: 106.120 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#3: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 295 / 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: 2.02 Å³/Da / Density % sol: 39.08 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 32% PEG MME550, CRYOPROTECTED IN PARATONE-N, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: ROTATING ANODE / Type: RIGAKU / Wavelength: 1.54178 Å
Detector	Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Jun 23, 2006
Radiation	Monochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.54178 Å / Relative weight: 1
Reflection	Resolution: 1.8→23.1 Å / Num. all: 32970 / Num. obs: 32970 / % possible obs: 98.5 % / Observed criterion σ(I): -3 / Redundancy: 3.4 % / R_sym value: 0.044 / Net I/σ(I): 27.8
Reflection shell	Resolution: 1.8→1.86 Å / Redundancy: 3 % / Mean I/σ(I) obs: 7.8 / Num. unique all: 2860 / R_sym value: 0.155 / % possible all: 85.3

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0019	refinement
HKL-2000		data collection
HKL-2000		data reduction
HKL-2000		data scaling
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB entry 1Y0O

1y0o

Resolution: 1.8→23.06 Å / Cor.coef. F_o:F_c: 0.954 / Cor.coef. F_o:F_c free: 0.912 / SU B: 5.99 / SU ML: 0.1 / Cross valid method: THROUGHOUT / ESU R: 0.151 / ESU R Free: 0.159 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS, ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS, ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.25986	1648	5 %	RANDOM
R_work	0.18493	-	-	-
obs	0.18861	31311	98.32 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK

Displacement parameters

B_iso mean: 21.157 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.46 Å²	0 Å²	-0.12 Å²
2-	-	-0.92 Å²	0 Å²
3-	-	-	0.45 Å²

Refinement step

Cycle: LAST / Resolution: 1.8→23.06 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3123	0	0	329	3452

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.019	0.022	3220
X-RAY DIFFRACTION	r_angle_refined_deg	1.687	2.008	4330
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	7.078	5	412
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	35.077	24.062	128
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	15.201	15	587
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	11.665	15	20
X-RAY DIFFRACTION	r_chiral_restr	0.122	0.2	456
X-RAY DIFFRACTION	r_gen_planes_refined	0.007	0.02	2416
X-RAY DIFFRACTION	r_nbd_refined	0.211	0.2	1412
X-RAY DIFFRACTION	r_nbtor_refined	0.313	0.2	2146
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.149	0.2	267
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.193	0.2	106
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.21	0.2	39
X-RAY DIFFRACTION	r_mcbond_it	1.474	2	2091
X-RAY DIFFRACTION	r_mcangle_it	2.083	3	3230
X-RAY DIFFRACTION	r_scbond_it	3.098	4	1290
X-RAY DIFFRACTION	r_scangle_it	4.06	5	1100

LS refinement shell

Resolution: 1.8→1.847 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.354	89	-
R_work	0.194	1853	-
obs	-	-	79.23 %

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	12.0969	0.7213	2.1093	0.805	-0.8777	1.6891	-0.4237	0.3539	0.0623	0.1837	0.146	-0.1432	-0.2418	0.3708	0.2777	-0.0016	-0.0284	0.0083	0.1109	-0.0832	0.1072	29.9756	5.5945	40.3355
2	3.5144	1.6196	-1.5585	11.7301	-5.4091	11.8048	0.0795	0.1982	0.0751	0.0597	0.1762	-0.1046	-0.1706	-0.1028	-0.2557	0.0505	0.0088	-0.0076	0.074	-0.0253	0.0631	21.4891	-2.1294	38.7399
3	26.5719	-11.4342	-3.4699	5.0113	1.8986	7.7426	-0.0507	-0.9831	0.5256	-0.375	0.1336	-0.2007	-0.0161	-0.5146	-0.0829	0.172	0.0203	-0.032	-0.0253	0.0088	-0.0265	7.8661	1.2009	52.8798
4	16.9893	-9.1311	4.1446	6.0781	-1.4222	12.838	-0.9064	-0.7925	-0.0866	0.8748	0.7009	0.4586	-0.0781	-1.1635	0.2055	0.2104	0.065	0.0844	0.0664	0.08	-0.0076	7.6256	-2.0476	55.7669
5	0.6461	3.0819	-0.0611	15.4457	-4.3556	22.1823	0.5026	0.265	-0.2001	2.0118	0.0151	0.1141	-0.7611	0.2757	-0.5177	0.32	0.0706	0.0208	-0.0137	0.002	-0.0705	16.8721	-9.1065	50.4038
6	1.8751	0.2104	1.1381	7.5671	0.8922	0.7682	-0.1005	-0.0105	0.0345	-0.1922	0.193	0.5147	-0.1008	-0.0304	-0.0925	0.0271	0.0101	0.0004	0.0697	0.0458	0.0667	13.8287	0.4427	38.8358
7	10.6626	-8.3576	-0.7289	12.5228	1.8923	0.665	-0.4503	-0.2545	0.0915	1.3087	0.4007	-0.3314	-0.0538	0.0333	0.0497	0.2276	0.041	-0.0251	0.0119	-0.0053	-0.0431	21.0414	5.9183	48.2791
8	8.0305	0.9351	-0.173	1.2253	-0.6707	0.3828	0.0314	-0.0883	-0.4448	-0.1997	0.0803	-0.0271	0.0877	-0.2251	-0.1117	0.0448	0.0197	0.0303	0.0522	0.0204	0.1013	1.2746	2.824	42.5103
9	12.4468	4.7446	-4.0745	53.9911	-6.3957	7.7507	-0.4212	0.0442	-1.1294	1.2923	-0.0792	-1.1258	1.0003	0.1939	0.5004	0.0676	-0.0007	0.0369	0.0679	0.1634	0.0781	-2.3413	-3.115	48.4258
10	17.3921	-5.6268	0.1367	5.9409	-0.7231	2.7905	-0.318	-0.1037	0.4251	0.1666	0.2149	-0.3049	-0.1799	-0.1804	0.1032	0.1019	0.0415	0.041	0.0575	0.0307	0.0053	7.4536	4.5201	49.8884
11	28.052	-10.7319	-8.6631	13.0776	0.7549	4.5575	-0.3457	-0.5284	-0.2564	1.5025	0.265	-0.5994	0.0722	0.3673	0.0807	0.2626	0.0678	-0.1078	-0.0336	-0.0169	-0.0096	21.9325	-0.9193	48.4418
12	3.1397	-3.3689	4.2926	15.2267	-13.8685	13.2573	0.0622	0.2105	-0.3811	-0.1834	-0.5969	-1.1954	-0.0332	0.3345	0.5347	-0.0748	0.034	-0.0315	0.0112	-0.0248	0.1601	29.3455	-3.739	39.8943
13	8.0316	-1.2768	-2.0813	1.5049	1.0605	0.9483	-0.0165	-0.2313	0.1653	-0.0816	-0.065	0.155	0.0413	-0.2681	0.0815	0.0139	0.0114	0.0182	0.1087	0.0105	0.0731	11.2163	24.0091	14.7421
14	1.4937	-0.4827	-1.0958	2.7004	-1.3211	3.5246	-0.0502	-0.2274	0.0091	0.0733	0.1164	-0.0218	0.0679	0.2707	-0.0661	0.0664	-0.0044	-0.0163	0.0771	-0.0118	0.0534	20.0785	16.3183	11.7071
15	25.5303	12.664	2.4311	7.8374	-1.0919	3.6258	-0.3168	0.5466	0.269	-0.0988	0.2868	-0.0941	-0.0127	0.1686	0.0299	0.0143	0.0193	0.0089	0.0928	-0.0793	0.0968	33.2421	19.7425	2.2111
16	12.7098	8.6329	-2.0113	11.4792	-5.5493	8.1202	0.0053	0.433	-0.1964	-0.1371	0.1151	-0.5761	-0.4101	0.2293	-0.1204	0.0026	-0.0104	0.0167	0.1083	-0.0968	0.0866	38.3381	20.5387	0.6129
17	10.5927	10.4778	4.0485	18.4926	4.3398	1.5612	-0.0527	0.2117	-0.047	-0.1904	0.2695	-0.5083	0.3014	0.0846	-0.2167	0.0651	0.0039	-0.0031	0.0849	-0.0236	0.0185	26.9045	11.8731	-1.4837
18	4.4449	-2.1351	-6.3832	1.3154	2.6397	9.7939	0.2684	-0.0035	0.098	-0.2999	-0.1493	-0.159	-0.1564	-0.3784	-0.1191	0.0778	-0.0119	0.0138	0.0897	-0.0007	0.0266	23.6507	11.5364	8.3175
19	1.4585	0.5801	0.3421	3.0015	-0.469	0.2275	0.0662	-0.0537	-0.0266	0.2327	-0.0931	-0.1194	0.0258	0.0049	0.0269	0.05	-0.0024	-0.007	0.0633	-0.0112	0.0374	26.2538	20.1778	15.7916
20	7.0229	1.9905	2.5317	6.8335	0.0862	2.656	-0.0916	0.0284	0.0048	-0.092	0.0379	0.338	0.0139	0.1054	0.0536	0.0687	0.0057	-0.0161	0.0749	-0.0077	0.0399	19.779	25.1325	5.1475
21	1.555	1.0652	1.2684	1.2645	-0.1758	3.0754	-0.0346	-0.0259	-0.2254	0.0807	0.1131	-0.1229	-0.0707	0.0538	-0.0784	0.018	-0.0024	-0.0004	0.0828	-0.0012	0.0768	36.7856	23.7388	12.8539
22	11.4448	16.1796	18.8272	24.0984	19.8426	68.4181	0.4219	-0.3713	-0.5359	-0.0496	0.0006	-0.9635	2.5122	1.5037	-0.4224	0.0012	0.1283	-0.0531	0.1013	0.0047	0.1515	44.1157	14.6511	11.6095
23	6.6397	1.2486	3.4197	1.896	-0.4888	2.5326	0.0339	0.2842	-0.273	-0.1454	0.0694	-0.2608	0.0559	0.3054	-0.1033	0.0479	0.0164	0.024	0.1047	-0.0507	0.0816	37.0238	21.3329	6.1486
24	7.9283	2.5861	-3.9119	3.6784	-2.3579	6.3351	-0.1003	-0.1134	-0.6377	-0.1824	0.1579	0.3801	0.6341	-0.3308	-0.0576	0.0264	-0.019	-0.0317	0.0418	0.0452	0.1318	14.1012	16.172	10.4752
25	21.8132	0.5184	-2.9199	0.3877	0.0422	0.424	-0.061	-0.1814	0.0066	-0.039	-0.1226	0.2889	0.0581	-0.1664	0.1836	0.0069	-0.0081	-0.0079	0.0939	0.0027	0.0666	9.9573	-6.2592	12.9505
26	2.1301	-0.8218	-3.8253	8.0941	4.6075	11.758	0.0366	0.2368	-0.0385	-0.1147	0.1319	-0.0146	-0.0347	-0.0271	-0.1685	0.0501	0.0046	0.0032	0.085	0.0202	0.0597	18.0387	1.3439	10.3662
27	21.655	-8.0205	5.3171	8.2797	-2.665	1.3967	0.1183	-0.4507	-0.4874	-0.3509	0.2273	0.0695	0.0126	0.1142	-0.3456	0.1077	-0.0001	0.0076	0.0858	-0.0266	0.0094	26.9274	0.5793	24.5888
28	14.3466	-9.2704	-0.9314	8.4827	-0.1748	4.4233	-0.2357	-0.6669	0.2025	0.2514	0.3539	-0.2796	0.153	0.3021	-0.1182	0.064	-0.0038	-0.032	0.0697	-0.0524	0.0018	33.6244	0.2594	28.1758
29	2.5426	-4.0036	-0.4955	6.9512	5.4558	33.8836	0.2101	0.0831	0.2881	0.4759	0.1252	0.1067	-0.274	-0.1152	-0.3352	0.1477	-0.037	0.0234	0.0224	-0.0091	0.0164	22.6359	8.4945	23.2874
30	1.9441	-0.0855	0.1642	2.3657	-0.5404	0.1701	0.0234	0.0303	-0.024	-0.1011	-0.0554	-0.1039	0.0403	0.063	0.032	0.057	0.0159	0.0041	0.0703	-0.0063	0.0382	26.0972	-1.1431	11.8363
31	6.4253	-2.2382	-1.7684	3.5402	-1.6558	2.3563	0.0869	0.0522	-0.0921	0.0432	0.0084	0.1958	-0.1108	-0.0499	-0.0953	0.0688	0.0075	0.0012	0.0514	-0.0023	0.0091	17.3537	-5.9432	21.372
32	17.2381	2.2562	-5.791	3.409	1.4011	4.402	-0.1742	-0.2835	-0.2746	0.0672	0.0489	-0.0419	0.0059	-0.0312	0.1253	0.0572	0.0246	-0.0323	0.0925	0.0044	0.0479	33.0992	-7.9806	18.903
33	10.4907	0.8789	2.021	6.0574	5.0018	5.1528	0.0378	0.1554	0.452	-0.182	0.0566	-0.3154	-0.333	0.2698	-0.0944	0.086	0.001	0.0164	0.0889	0.0088	0.0891	40.9359	-0.8928	13.8475
34	3.0294	-2.8684	4.4343	4.9714	-0.6884	11.9539	-0.1243	-0.4847	0.4978	0.5159	-0.1823	-0.062	-1.2063	-0.0583	0.3066	0.0813	-0.0448	0.0188	0.0766	-0.1281	0.0334	42.1681	3.0325	21.7546
35	11.7271	-3.0174	0.6778	1.7091	0.1234	1.7535	0.0277	-0.3456	-0.0944	0.0247	0.0527	0.0936	-0.0697	-0.0372	-0.0804	0.1141	-0.0177	-0.0035	0.0606	0.0042	0.0608	25.0303	-2.5102	21.9747
36	5.218	4.6949	-2.1088	13.1823	9.4065	15.1163	0.414	0.3455	0.7058	0.1023	-0.3953	0.6269	-0.3771	-0.9613	-0.0187	-0.0205	0.0611	0.023	0.0581	0.0441	0.0763	10.5265	3.0178	12.5218
37	6.1756	-2.8902	1.0546	1.8569	-1.0088	0.7065	-0.0341	0.0388	-0.7828	0.0551	-0.2523	-0.0778	-0.1036	0.5674	0.2864	-0.0219	0.0048	-0.0352	0.1236	-0.0268	0.1219	28.7532	14.7111	41.9151
38	4.8075	-2.8137	0.8837	9.3789	-1.862	8.8333	0.0504	-0.1873	-0.1254	0.1051	0.3815	0.0946	0.0058	-0.3638	-0.4319	0.0564	-0.0079	-0.0017	0.0817	-0.0079	0.0857	20.778	22.3055	41.2766
39	8.0639	1.6391	0.0268	0.3333	0.0225	3.5261	-0.1854	0.4187	-0.0068	0.0944	0.1349	0.1512	-0.1298	-0.2846	0.0505	0.0423	-0.0288	-0.0366	0.0752	0.0642	0.0753	6.5369	20.2952	27.9671
40	2.651	2.1756	-0.4305	1.8962	-1.8266	19.659	-0.0374	-0.2947	0.2921	-0.3802	-0.0571	-0.1624	-0.2403	-0.0782	0.0946	0.1314	-0.013	-0.0141	0.0411	0.045	0.0435	15.9442	28.3533	29.6979
41	1.3437	1.6337	-0.768	4.9944	1.2025	1.9558	-0.125	-0.0377	0.0796	0.3446	0.2271	0.5421	0.0562	0.0189	-0.1021	0.0099	0.0191	0.0307	0.047	0.0467	0.0927	12.3971	21.516	42.9485
42	6.6271	0.3476	-4.2417	4.6999	1.3088	5.6282	0.0123	0.0982	-0.1766	0.1682	0.0644	0.14	0.1119	-0.2319	-0.0767	0.0271	0.0012	-0.0241	0.0683	0.0343	0.0665	16.4583	14.0883	41.5423
43	18.9865	9.558	8.1669	12.4164	6.7934	12.5521	-0.2245	-0.0717	-0.1796	-0.8202	0.126	-0.5473	0.4491	-0.051	0.0985	0.1417	-0.0177	0.0575	0.0115	-0.0215	0.006	23.0394	14.4894	31.8875
44	7.0539	-1.9746	-1.9295	0.7825	-0.1934	2.8698	-0.0553	-0.0034	-0.0305	-0.0581	0.0828	0.1191	-0.0244	-0.0854	-0.0275	0.0274	-0.0174	-0.0055	0.0003	0.0055	0.109	5.9457	13.8545	38.312
45	12.7452	1.5467	0.8717	11.1208	-4.5656	20.1729	-0.2028	-0.1042	0.2221	0.318	0.2687	0.6488	-1.2469	-0.4867	-0.0659	0.0568	0.0196	0.0261	0.049	0.0038	0.0902	-3.8084	24.102	37.9761
46	3.5509	0.7493	-2.6848	1.5763	-1.4222	2.5461	-0.1182	0.2836	0.2148	0.1547	0.0974	0.1589	-0.0977	-0.1749	0.0208	0.032	-0.0023	-0.0362	0.0954	0.0265	0.0691	0.3924	17.5992	34.6716
47	35.6696	5.3606	10.8019	5.8036	1.5604	5.7672	-0.1072	0.9062	-0.3115	-0.7207	0.2669	-0.0663	-0.019	0.2063	-0.1597	0.1378	-0.0265	0.0182	0.0641	-0.0222	0.0337	18.3771	17.87	31.0101
48	2.6535	5.7291	0.818	12.4112	2.3966	9.7723	0.2377	-0.3659	0.4583	0.2424	-0.2161	-0.2263	-0.3953	0.3808	-0.0217	-0.0373	-0.0271	0.0141	0.0705	-0.0237	0.1589	28.2108	23.8415	41.0018

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	X-RAY DIFFRACTION	1	A	A	41 - 46	1 - 6
2	X-RAY DIFFRACTION	2	A	A	47 - 54	7 - 14
3	X-RAY DIFFRACTION	3	A	A	55 - 61	15 - 21
4	X-RAY DIFFRACTION	4	A	A	62 - 71	22 - 31
5	X-RAY DIFFRACTION	5	A	A	72 - 77	32 - 37
6	X-RAY DIFFRACTION	6	A	A	78 - 96	38 - 56
7	X-RAY DIFFRACTION	7	A	A	97 - 103	57 - 63
8	X-RAY DIFFRACTION	8	A	A	104 - 116	64 - 76
9	X-RAY DIFFRACTION	9	A	A	117 - 125	77 - 85
10	X-RAY DIFFRACTION	10	A	A	126 - 130	86 - 90
11	X-RAY DIFFRACTION	11	A	A	131 - 135	91 - 95
12	X-RAY DIFFRACTION	12	A	A	136 - 140	96 - 100
13	X-RAY DIFFRACTION	13	B	B	41 - 47	1 - 7
14	X-RAY DIFFRACTION	14	B	B	48 - 55	8 - 15
15	X-RAY DIFFRACTION	15	B	B	56 - 60	16 - 20
16	X-RAY DIFFRACTION	16	B	B	61 - 67	21 - 27
17	X-RAY DIFFRACTION	17	B	B	68 - 73	28 - 33
18	X-RAY DIFFRACTION	18	B	B	74 - 78	34 - 38
19	X-RAY DIFFRACTION	19	B	B	79 - 96	39 - 56
20	X-RAY DIFFRACTION	20	B	B	97 - 103	57 - 63
21	X-RAY DIFFRACTION	21	B	B	104 - 113	64 - 73
22	X-RAY DIFFRACTION	22	B	B	114 - 119	74 - 79
23	X-RAY DIFFRACTION	23	B	B	120 - 131	80 - 91
24	X-RAY DIFFRACTION	24	B	B	132 - 139	92 - 99
25	X-RAY DIFFRACTION	25	C	C	41 - 46	1 - 6
26	X-RAY DIFFRACTION	26	C	C	47 - 53	7 - 13
27	X-RAY DIFFRACTION	27	C	C	54 - 59	14 - 19
28	X-RAY DIFFRACTION	28	C	C	60 - 71	20 - 31
29	X-RAY DIFFRACTION	29	C	C	72 - 77	32 - 37
30	X-RAY DIFFRACTION	30	C	C	78 - 96	38 - 56
31	X-RAY DIFFRACTION	31	C	C	97 - 102	57 - 62
32	X-RAY DIFFRACTION	32	C	C	103 - 108	63 - 68
33	X-RAY DIFFRACTION	33	C	C	109 - 116	69 - 76
34	X-RAY DIFFRACTION	34	C	C	117 - 125	77 - 85
35	X-RAY DIFFRACTION	35	C	C	126 - 135	86 - 95
36	X-RAY DIFFRACTION	36	C	C	136 - 140	96 - 100
37	X-RAY DIFFRACTION	37	D	D	41 - 47	1 - 7
38	X-RAY DIFFRACTION	38	D	D	48 - 54	8 - 14
39	X-RAY DIFFRACTION	39	D	D	55 - 71	15 - 31
40	X-RAY DIFFRACTION	40	D	D	72 - 76	32 - 36
41	X-RAY DIFFRACTION	41	D	D	77 - 89	37 - 49
42	X-RAY DIFFRACTION	42	D	D	90 - 96	50 - 56
43	X-RAY DIFFRACTION	43	D	D	97 - 101	57 - 61
44	X-RAY DIFFRACTION	44	D	D	102 - 112	62 - 72
45	X-RAY DIFFRACTION	45	D	D	113 - 120	73 - 80
46	X-RAY DIFFRACTION	46	D	D	121 - 129	81 - 89
47	X-RAY DIFFRACTION	47	D	D	130 - 134	90 - 94
48	X-RAY DIFFRACTION	48	D	D	135 - 139	95 - 99

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