PDB-2p82: Cysteine protease ATG4A

ID or keywords:

Entry

Database: PDB / ID: 2p82

Title

Cysteine protease ATG4A

Components

Cysteine protease ATG4A

Keywords

HYDROLASE / Autophagy / Protease / Protein transport / Thiol protease / Transport / Ubl conjugation pathway / Structural Genomics / Structural Genomics Consortium / SGC

Function / homology

Function and homology information

protein-phosphatidylethanolamide deconjugating activity / protein delipidation / aggrephagy / piecemeal microautophagy of the nucleus / Macroautophagy / autophagosome assembly / mitophagy / cysteine-type peptidase activity / protein processing / lipid metabolic process ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.1 Å

Authors

Walker, J.R. / Davis, T. / Mujib, S. / Butler-Cole, C. / Finerty Jr., P.J. / Weigelt, J. / Sundstrom, M. / Arrowsmith, C.H. / Edwards, A.M. / Bochkarev, A. ...

Citation

Journal: To be Published
Title: Human cysteine protease ATG4A
Authors: Walker, J.R. / Davis, T. / Mujib, S. / Butler-Cole, C. / Finerty Jr., P.J. / Weigelt, J. / Sundstrom, M. / Arrowsmith, C.H. / Edwards, A.M. / Bochkarev, A. / Dhe-Paganon, S.

History

Deposition	Mar 21, 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: Advisory / 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	2p82.cif.gz	282.6 KB	Display	PDBx/mmCIF format
PDB format	pdb2p82.ent.gz	229.8 KB	Display	PDB format
PDBx/mmJSON format	2p82.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	2p82_validation.pdf.gz	483.4 KB	Display	wwPDB validaton report
Full document	2p82_full_validation.pdf.gz	498.8 KB	Display
Data in XML	2p82_validation.xml.gz	54.7 KB	Display
Data in CIF	2p82_validation.cif.gz	78.9 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/p8/2p82 ftp://data.pdbj.org/pub/pdb/validation_reports/p8/2p82	HTTPS FTP

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Related structure data

Related structure data	1dliS S: Starting model for refinement
Similar structure data	2z1y-d 2f8j-1 4r2n-2 1uu1-1 2ga4-d 1uu1-2 1toi-1 3bwn-2 1gc3-4 3i6e-3 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	#203 - Nov 2016 Aminopeptidase 1 and Autophagy similarity (1)

Deposited unit

A: Cysteine protease ATG4A

B: Cysteine protease ATG4A

C: Cysteine protease ATG4A

D: Cysteine protease ATG4A

hetero molecules

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

1

A: Cysteine protease ATG4A

B: Cysteine protease ATG4A

hetero molecules

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

2

C: Cysteine protease ATG4A

D: Cysteine protease ATG4A

hetero molecules

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

Unit cell

Length a, b, c (Å)	94.408, 94.408, 337.339
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	152
Space group name H-M	P3₁21

Components on special symmetry positions

ID	Model	Components
1	1	D-1- CL

Details

THE BIOLOGICAL ASSEMBLY IS UNKNOWN

#1: Protein	Cysteine protease ATG4A / Autophagy-related protein 4 homolog A / hAPG4A / Autophagin-2 / Autophagy-related cysteine ...Autophagy-related protein 4 homolog A / hAPG4A / Autophagin-2 / Autophagy-related cysteine endopeptidase 2 / AUT-like 2 cysteine endopeptidase Mass: 40573.422 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: ATG4A, APG4A, AUTL2 / Plasmid: pET28a-LIC-TEV / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) References: UniProt: Q8WYN0, Hydrolases; Acting on peptide bonds (peptidases); Cysteine endopeptidases
#2: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 15 / Source method: obtained synthetically / Formula: C₂H₆O₂
#3: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 858 / 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: 2.67 Å³/Da / Density % sol: 53.98 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 5.4 Details: Protein concentration 10 mg/mL. Reservoir: 23.5% PEG3350, 0.2M NaCl, 0.1M SPG buffer pH 5.4, 5% ethylene glycol. Cryoprotected in 20% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1 Å
Detector	Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Feb 22, 2007
Radiation	Monochromator: double crystal and K-B pair of biomorph mirrors Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.1→39 Å / Num. all: 98093 / Num. obs: 98033 / % possible obs: 95.2 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 7.6 % / R_sym value: 0.063 / Net I/σ(I): 31.86
Reflection shell	Resolution: 2.1→2.18 Å / Redundancy: 5.9 % / Mean I/σ(I) obs: 2.7 / Num. unique all: 6882 / R_sym value: 0.466 / % possible all: 68.1

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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
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB entry 1DLI

1dli

Resolution: 2.1→38.69 Å / Cor.coef. F_o:F_c: 0.961 / Cor.coef. F_o:F_c free: 0.943 / SU B: 7.482 / SU ML: 0.105 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.179 / ESU R Free: 0.159 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS, ATOM RECORD CONTAINS RESIDUAL B FACTORS ONLY

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.21279	4967	5.1 %	RANDOM
R_work	0.17489	-	-	-
obs	0.17679	93002	95.18 %	-

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: 39.167 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.95 Å²	0.48 Å²	0 Å²
2-	-	0.95 Å²	0 Å²
3-	-	-	-1.43 Å²

Refinement step

Cycle: LAST / Resolution: 2.1→38.69 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9891	0	61	858	10810

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.011	0.022	10284
X-RAY DIFFRACTION	r_angle_refined_deg	1.15	1.954	13891
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.566	5	1245
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	36.142	24.542	469
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	13.946	15	1825
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	13.673	15	48
X-RAY DIFFRACTION	r_chiral_restr	0.079	0.2	1484
X-RAY DIFFRACTION	r_gen_planes_refined	0.004	0.02	7742
X-RAY DIFFRACTION	r_nbd_refined	0.193	0.2	4746
X-RAY DIFFRACTION	r_nbtor_refined	0.302	0.2	7015
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.114	0.2	721
X-RAY DIFFRACTION	r_symmetry_vdw_refined	0.163	0.2	62
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.109	0.2	37
X-RAY DIFFRACTION	r_mcbond_it	0.777	2	6375
X-RAY DIFFRACTION	r_mcangle_it	1.311	3	9997
X-RAY DIFFRACTION	r_scbond_it	1.732	4	4527
X-RAY DIFFRACTION	r_scangle_it	2.501	5	3894

LS refinement shell

Resolution: 2.1→2.154 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.241	255	-
R_work	0.221	4655	-
obs	-	-	65.61 %

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	10.2242	5.8204	10.9017	12.1051	2.9467	28.7312	0.0292	1.2837	-0.7339	-1.7496	1.4202	-1.2864	1.6468	2.9529	-1.4495	0.0951	0.0652	0.0755	0.1484	-0.211	-0.0254	93.7524	61.6991	-4.1278
2	1.4232	-0.388	0.3625	1.7137	0.0184	1.841	-0.0031	0.1249	-0.1443	-0.1066	0.0795	0.0261	-0.0817	0.1089	-0.0764	0.0015	0.0095	-0.0105	0.1887	-0.015	0.071	81.5704	76.2318	4.9669
3	4.166	-1.4941	-0.2396	2.9046	-0.014	6.0028	0.1462	0.2785	-0.4843	-0.2512	0.0576	0.3249	0.2767	-0.4866	-0.2038	-0.0287	-0.0265	-0.0615	0.075	-0.0179	0.0921	71.5799	64.2253	4.6634
4	0.7099	0.2829	0.6416	1.3556	-0.1335	1.4431	-0.0307	-0.14	0.012	0.2053	0.0134	-0.0917	-0.2483	-0.1117	0.0173	0.0234	0.0407	-0.0111	0.1249	-0.0236	0.0097	79.7881	82.5513	17.0006
5	5.5894	-2.6678	3.8206	1.3999	-1.8275	2.6117	0.1165	-1.1437	-0.3471	0.4802	-0.1827	0.2167	0.352	-0.547	0.0662	-0.0613	-0.0014	0.0347	0.2303	-0.031	0.0363	75.0926	72.0214	23.4081
6	2.9781	-0.1331	-2.3631	4.8033	-3.6463	5.0222	0.1295	-0.3552	0.1496	0.4768	-0.0521	-0.2099	-0.4332	0.2457	-0.0774	0.0126	0.003	-0.02	0.1058	-0.0566	0.0168	93.1658	68.1537	26.8992
7	29.6521	-0.319	-27.0072	3.9965	-2.0365	26.1797	-0.1594	0.347	-1.7509	0.3206	-0.328	-0.1828	1.4981	-0.766	0.4874	-0.0094	-0.1172	-0.0064	0.221	-0.0072	0.085	75.7062	58.3648	35.3795
8	5.9642	0.8918	-1.0829	2.6818	0.5923	3.0512	0.2249	0.0391	0.1541	0.1598	-0.1028	-0.1089	-0.2925	0.187	-0.122	0.0229	0.0456	-0.0437	0.1976	-0.0162	0.1477	93.917	70.9011	17.9183
9	1.424	-0.5446	0.857	0.6338	-0.5385	1.2962	0.0511	0.148	0.003	-0.0719	-0.0642	-0.0626	-0.0479	0.1984	0.013	-0.0146	0.0109	0.0098	0.1934	-0.0317	0.031	86.3073	75.0272	3.8857
10	32.6256	14.1777	16.8299	9.7896	2.6659	22.74	0.2753	0.318	-0.6346	-0.342	-0.1525	-0.5156	-0.4973	1.0871	-0.1228	-0.1203	0.0243	0.1004	0.2009	-0.0358	-0.0045	98.5281	75.5436	-0.8057
11	1.7881	-0.4336	0.5261	0.8186	-0.7446	1.893	0.0776	0.101	-0.1248	-0.0722	-0.0443	-0.0068	0.1176	0.165	-0.0332	-0.0246	0.0268	-0.0284	0.1335	-0.03	0.0991	96.3563	62.8721	17.4601
12	73.1983	57.9627	53.0877	73.3002	62.0731	53.1512	1.6425	-0.4376	1.9922	0.5396	-0.1851	-0.6658	0.8693	0.3045	-1.4575	0.065	-0.0523	-0.1787	0.1056	-0.106	0.163	102.7208	70.2572	35.8456
13	28.9513	3.5307	-3.5378	14.348	1.8716	16.9058	0.5468	-2.6311	0.027	1.8519	0.1751	-1.5438	-1.185	1.0494	-0.7219	0.1661	-0.1148	-0.049	0.1842	-0.0946	-0.0438	94.4731	98.6318	61.2429
14	6.5733	0.0268	-2.0808	8.4924	5.9225	25.6987	0.3205	-0.7118	0.886	0.7156	-0.3536	0.5365	-0.522	0.2861	0.0332	-0.0403	-0.1267	0.1511	0.0469	-0.1882	0.0468	88.0073	99.1769	62.1965
15	1.5196	0.9429	0.065	2.2376	0.919	0.9083	0.1436	-0.2051	0.1052	0.1062	-0.215	0.1737	0.1237	-0.1969	0.0714	0.0022	-0.0559	0.031	0.2115	-0.0465	0.0522	79.8447	80.6828	49.7629
16	1.0097	-0.4918	-2.4937	5.3697	1.3189	6.1611	0.1069	-0.9443	0.816	0.6148	-0.6302	1.3743	-0.4237	-1.0191	0.5233	-0.048	0.0873	0.1767	0.2369	-0.2954	0.2407	71.6244	95.9887	54.2138
17	1.2633	0.2619	-0.3172	2.2901	0.4921	1.3887	0.0887	-0.0304	0.0601	-0.2109	-0.129	0.1044	0.0206	-0.2032	0.0403	-0.006	-0.0162	-0.0053	0.1606	-0.0404	0.0195	80.073	77.8027	40.1697
18	5.2835	1.5737	-0.4701	2.1829	-0.3656	2.9854	-0.1698	0.3462	-0.2327	-0.2525	0.0622	0.1514	-0.2351	-0.0481	0.1076	0.1132	0.0034	-0.0293	0.0914	-0.0687	0.0176	87.3041	90.9362	31.9119
19	14.978	-5.6233	15.9512	4.7254	-3.3867	27.1568	-0.2905	0	0.9667	-0.2016	-0.3591	-0.046	-2.2903	-1.3611	0.6496	0.1285	0.1758	-0.1073	0.0662	0.0014	-0.0059	79.1591	99.8057	25.6145
20	4.3245	-0.0758	0.9514	2.4423	0.0197	2.5072	0.0206	-0.1238	-0.3642	0.0597	0.0357	-0.1468	-0.1086	0.5322	-0.0563	-0.0229	-0.0542	0.0392	0.2091	-0.0107	-0.0008	100.894	87.4951	44.4573
21	1.4438	1.0078	-0.1977	1.3676	0.033	1.9585	0.1294	-0.309	0.0234	0.0922	-0.2201	0.0692	-0.0331	-0.0625	0.0907	0.0155	-0.0378	0.036	0.2107	-0.067	0.0384	85.1368	84.465	52.9707
22	0.7107	0.6116	-0.2774	0.7488	0.5507	2.9099	0.026	-0.1227	0.08	0.0037	-0.0295	0.0343	-0.2295	0.1684	0.0035	0.0379	-0.0477	0.0213	0.1164	-0.0414	0.0592	90.6439	91.4736	48.0795
23	3.0399	0.6434	0.6472	2.0193	-0.7585	2.0299	-0.1557	-0.0294	0.2447	-0.3069	0.1654	0.105	-0.1904	0.3096	-0.0098	0.0543	-0.1432	0.0493	0.1516	-0.0387	-0.0299	102.9985	98.3198	39.3264
24	65.0134	-32.0403	-17.5959	27.7048	11.0216	5.2258	2.3251	2.7142	-2.0796	-0.7991	-3.3045	-3.2196	-0.7098	0.4161	0.9794	0.4099	-0.0004	-0.0029	0.4175	-0.0038	0.4138	102.2202	90.1008	21.0284
25	12.1353	-3.8965	-1.3328	13.4364	5.5536	7.6242	0.8131	0.4439	1.447	-0.8793	-0.5887	0.4969	-1.6248	-0.4083	-0.2244	0.2058	0.0851	0.071	-0.0318	0.012	0.0921	31.1469	116.2633	21.8026
26	1.0257	0.2877	-0.4745	1.6063	0.6282	1.9879	0.0846	-0.0861	0.1333	-0.0794	-0.0659	0.09	-0.3257	0.0682	-0.0187	0.0945	0.017	0.021	0.073	0.014	0.067	41.3588	101.0685	13.1706
27	6.1892	-0.2174	-1.0427	5.803	0.133	4.7581	-0.1063	-0.4016	0.5079	-0.0391	0.3417	-0.8382	-0.8357	0.6665	-0.2354	0.0909	-0.1537	0.0529	0.1048	-0.1217	0.0578	50.7778	107.9901	23.8971
28	0.9036	0.7457	-0.0253	1.6495	0.4423	1.7453	0.0407	-0.1263	-0.0826	0.0481	-0.0726	-0.0915	0.0638	0.1143	0.032	0.0264	0.0111	0.0001	0.076	0.0097	0.016	42.833	88.364	17.1881
29	20.435	1.913	-5.1034	3.7836	0.3985	1.4875	0.3217	-0.7191	-1.4271	0.3847	-0.3392	-0.7179	-0.3561	0.2356	0.0175	-0.0367	-0.048	-0.0449	0.1532	0.0687	0.0956	48.0946	90.8763	28.5771
30	8.8655	0.4241	4.1766	1.8281	1.138	13.5251	0.4279	-0.3206	-0.6973	0.1341	-0.2171	0.3066	0.3639	-0.4859	-0.2108	0.0532	-0.0737	0.0033	0.0633	0.0173	0.0503	28.7801	89.8958	34.4095
31	8.6772	2.2801	-0.0208	13.8669	3.6682	1.0172	0.7277	-1.4248	-0.6513	1.3197	-0.4731	-1.6165	0.1805	0.7879	-0.2546	-0.0276	-0.1034	-0.1551	0.4526	0.1715	0.0044	43.8655	89.8046	43.7334
32	13.6536	1.1647	7.1499	2.7252	0.4499	7.6968	0.1744	0.0172	0.1094	-0.0104	-0.1179	0.165	0.1464	-0.2246	-0.0565	0.1006	-0.0059	0.0318	0.1282	-0.0258	0.084	28.7624	94.93	26.6177
33	1.3086	-0.3693	-0.7363	1.2563	0.3514	2.1845	0.1107	-0.0552	0.0795	-0.0725	-0.0556	0.0609	-0.2462	-0.0681	-0.0551	0.0794	0.0196	0.0043	0.055	-0.0091	0.0628	33.7899	102.5244	16.0222
34	3.8333	-0.3977	-0.2618	0.6147	-0.05	1.311	0.0788	0.0866	0.3458	-0.044	-0.0236	-0.0362	-0.3049	-0.0528	-0.0552	0.1282	0.0094	0.0312	0.0413	-0.0013	0.0551	36.4989	105.288	10.9521
35	2.1883	0.4148	-0.2947	2.1936	-0.1365	1.3504	0.157	-0.2821	0.1596	0.1625	-0.118	0.2422	-0.1601	-0.0598	-0.039	0.0547	-0.0356	0.051	0.1213	-0.0451	0.0301	27.7236	100.3399	34.8853
36	188.3343	158.1701	18.3304	187.4637	41.6151	14.3699	-1.1613	2.9701	8.8877	-4.6451	-0.2303	8.9595	-1.8995	0.4179	1.3916	0.3014	-0.0562	-0.0326	0.4007	-0.0281	0.3332	21.3086	79.9092	39.2266
37	10.9615	-5.8137	1.2682	18.4017	-8.0551	9.0404	0.319	-0.2495	-1.7078	-0.0109	0.1463	0.7035	0.6877	-0.2827	-0.4653	-0.0466	-0.0081	-0.0942	-0.0732	0.0468	0.2177	34.8439	43.3332	33.0088
38	2.5697	0.907	1.2837	2.355	0.9908	2.1901	0.1713	-0.1852	-0.1842	0.214	-0.1371	-0.3399	0.0406	0.177	-0.0342	0.0096	-0.0599	-0.0833	0.1447	0.1316	0.0935	46.5447	64.4407	42.9111
39	2.5154	-0.214	-0.7816	1.5693	1.0682	4.3524	0.1114	0.1854	-0.406	-0.0632	-0.0618	-0.4208	0.3192	0.341	-0.0496	-0.0538	0.0081	-0.0331	0.0871	0.0516	0.1496	47.7005	58.8464	30.0345
40	1.5466	-0.2723	0.2924	1.9546	0.2552	1.4761	0.1143	-0.0908	0.0129	0.0175	-0.1867	-0.2111	-0.2206	0.1458	0.0724	-0.0068	-0.0674	-0.0469	0.1048	0.0641	0.0532	44.5379	74.1469	35.0558
41	25.5087	-0.3803	2.7208	0.0057	-0.0406	0.2902	-0.1898	0.6424	0.1254	-0.7089	-0.0782	-0.5366	-0.2509	-0.2362	0.2681	-0.0421	0.0079	0.0909	0.1468	0.0669	0.1377	48.8804	71.1337	22.6505
42	6.0121	0.3742	0.6977	3.2952	-1.4127	2.4061	0.1967	-0.4372	0.3586	0.0455	0.0219	0.3117	-0.3771	-0.1947	-0.2185	0.0303	-0.0148	-0.0092	0.0738	0.0236	0.0541	27.9521	71.7557	22.6921
43	14.0651	3.3146	-3.6902	17.9955	-6.1378	8.4325	-0.074	0.9308	0.1834	-0.6608	-0.1906	-0.0203	-0.5547	0.4848	0.2646	0.0774	-0.0516	-0.0095	0.1001	0.0622	-0.0415	34.8894	71.4888	12.6101
44	7.4397	-0.0689	-4.0166	3.4287	0.5754	5.62	0.2254	0.0591	0.1438	-0.047	-0.0496	-0.0509	-0.3184	-0.0008	-0.1758	0.0704	0.0192	-0.0557	0.1269	0.0242	0.1101	30.9088	67.4593	26.2388
45	2.4351	0.7826	0.8453	1.2198	-0.0246	1.2823	0.1799	-0.1749	-0.2166	0.1179	-0.1154	-0.1776	0.081	0.0732	-0.0645	0.0087	-0.0318	-0.0506	0.106	0.0796	0.0783	38.3317	59.094	37.7344
46	12.0097	-4.3233	-1.1736	3.691	-0.3931	0.742	-0.0219	-0.201	-0.5634	0.5716	-0.0566	-0.3456	0.1304	0.0554	0.0785	0.0267	-0.0812	-0.1005	0.0694	0.0909	0.0634	32.0558	54.7154	43.5574
47	1.4049	0.4913	-0.2354	1.387	-0.7524	1.9013	-0.0389	0.1352	-0.0704	-0.1912	0.0526	0.0211	0.0969	0.0321	-0.0138	0.0324	-0.0155	-0.0358	0.0869	0.0097	0.0596	27.1633	60.7869	21.3331
48	62.3032	-12.981	13.4713	2.7046	-2.8068	2.9128	-0.5548	-0.2144	5.8181	0.968	0.7023	-2.2079	-1.8738	0.9637	-0.1475	0.3114	0.0004	-0.0074	0.3348	-0.0049	0.3146	23.466	74.5542	13.1905

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	26 - 31	22 - 27
2	X-RAY DIFFRACTION	2	A	A	32 - 93	28 - 89
3	X-RAY DIFFRACTION	3	A	A	94 - 110	90 - 106
4	X-RAY DIFFRACTION	4	A	A	111 - 159	107 - 155
5	X-RAY DIFFRACTION	5	A	A	160 - 168	156 - 164
6	X-RAY DIFFRACTION	6	A	A	169 - 186	165 - 182
7	X-RAY DIFFRACTION	7	A	A	187 - 216	183 - 212
8	X-RAY DIFFRACTION	8	A	A	217 - 237	213 - 233
9	X-RAY DIFFRACTION	9	A	A	238 - 306	234 - 302
10	X-RAY DIFFRACTION	10	A	A	307 - 314	303 - 310
11	X-RAY DIFFRACTION	11	A	A	315 - 353	311 - 349
12	X-RAY DIFFRACTION	12	A	A	354 - 359	350 - 355
13	X-RAY DIFFRACTION	13	B	B	25 - 31	21 - 27
14	X-RAY DIFFRACTION	14	B	B	32 - 44	28 - 40
15	X-RAY DIFFRACTION	15	B	B	45 - 96	41 - 92
16	X-RAY DIFFRACTION	16	B	B	97 - 110	93 - 106
17	X-RAY DIFFRACTION	17	B	B	111 - 160	107 - 156
18	X-RAY DIFFRACTION	18	B	B	161 - 184	157 - 180
19	X-RAY DIFFRACTION	19	B	B	185 - 221	181 - 217
20	X-RAY DIFFRACTION	20	B	B	222 - 244	218 - 240
21	X-RAY DIFFRACTION	21	B	B	245 - 299	241 - 295
22	X-RAY DIFFRACTION	22	B	B	300 - 334	296 - 330
23	X-RAY DIFFRACTION	23	B	B	335 - 353	331 - 349
24	X-RAY DIFFRACTION	24	B	B	354 - 359	350 - 355
25	X-RAY DIFFRACTION	25	C	C	25 - 34	21 - 30
26	X-RAY DIFFRACTION	26	C	C	35 - 92	31 - 88
27	X-RAY DIFFRACTION	27	C	C	93 - 110	89 - 106
28	X-RAY DIFFRACTION	28	C	C	111 - 160	107 - 156
29	X-RAY DIFFRACTION	29	C	C	161 - 169	157 - 165
30	X-RAY DIFFRACTION	30	C	C	170 - 182	166 - 178
31	X-RAY DIFFRACTION	31	C	C	183 - 192	179 - 188
32	X-RAY DIFFRACTION	32	C	C	218 - 237	214 - 233
33	X-RAY DIFFRACTION	33	C	C	238 - 293	234 - 289
34	X-RAY DIFFRACTION	34	C	C	294 - 317	290 - 313
35	X-RAY DIFFRACTION	35	C	C	318 - 354	314 - 350
36	X-RAY DIFFRACTION	36	C	C	355 - 359	351 - 355
37	X-RAY DIFFRACTION	37	D	D	26 - 42	22 - 38
38	X-RAY DIFFRACTION	38	D	D	43 - 77	39 - 73
39	X-RAY DIFFRACTION	39	D	D	78 - 111	74 - 107
40	X-RAY DIFFRACTION	40	D	D	112 - 160	108 - 156
41	X-RAY DIFFRACTION	41	D	D	161 - 168	157 - 164
42	X-RAY DIFFRACTION	42	D	D	169 - 179	165 - 175
43	X-RAY DIFFRACTION	43	D	D	180 - 188	176 - 184
44	X-RAY DIFFRACTION	44	D	D	189 - 236	185 - 232
45	X-RAY DIFFRACTION	45	D	D	237 - 301	233 - 297
46	X-RAY DIFFRACTION	46	D	D	302 - 315	298 - 311
47	X-RAY DIFFRACTION	47	D	D	316 - 352	312 - 348
48	X-RAY DIFFRACTION	48	D	D	353 - 357	349 - 353

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