PDB-5aoq: Structural basis of neurohormone perception by the receptor tyros...

ID or keywords:

Entry

Database: PDB / ID: 5aoq

Title

Structural basis of neurohormone perception by the receptor tyrosine kinase Torso

Components

PREPROPTTH
TORSO

Keywords

TRANSFERASE / PTTH / PROTHORACICOTROPIC HORMONE /

METAMORPHOSIS / DEVELOPMENTAL TIMING / NEUROHORMONE /

PEPTIDE HORMONE /

CYSTINE KNOT /

RECEPTOR TYROSINE KINASE / RTK / FIBRONECTIN TYPE III DOMAINS /

NEGATIVE COOPERATIVITY

Function / homology

Function and homology information

multicellular organism development / neuropeptide signaling pathway /

transmembrane receptor protein tyrosine kinase activity /

hormone activity /

receptor protein-tyrosine kinase / membrane => GO:0016020 /

ATP binding /

metal ion binding /

plasma membrane
Similarity search - Function

Biological species

BOMBYX MORI (domestic silkworm)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.7 Å

Authors

Jenni, S. / Goyal, Y. / von Grotthuss, M. / Shvartsman, S.Y. / Klein, D.E.

Citation

Journal: Mol.Cell / Year: 2015
Title: Structural Basis of Neurohormone Perception by the Receptor Tyrosine Kinase Torso.
Authors: Jenni, S. / Goyal, Y. / von Grotthuss, M. / Shvartsman, S.Y. / Klein, D.E.

History

Deposition	Sep 11, 2015	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Nov 25, 2015	Provider: repository / Type: Initial release
Revision 1.1	Jan 13, 2016	Group: Database references
Revision 2.0	Dec 13, 2017	Group: Atomic model / Database references / Category: atom_site / citation_author Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _citation_author.name
Revision 3.0	Jul 29, 2020	Group: Atomic model / Data collection ...Atomic model / Data collection / Derived calculations / Other / Structure summary Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_database_status / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / struct_asym / struct_conn / struct_site / struct_site_gen Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.type_symbol / _atom_site_anisotrop.U[1][1] / _atom_site_anisotrop.U[1][2] / _atom_site_anisotrop.U[1][3] / _atom_site_anisotrop.U[2][2] / _atom_site_anisotrop.U[2][3] / _atom_site_anisotrop.U[3][3] / _atom_site_anisotrop.id / _atom_site_anisotrop.pdbx_auth_asym_id / _atom_site_anisotrop.pdbx_auth_seq_id / _atom_site_anisotrop.pdbx_label_asym_id / _chem_comp.name / _chem_comp.type / _entity.formula_weight / _entity.pdbx_description / _entity.pdbx_number_of_molecules / _entity.type / _pdbx_database_status.status_code_sf / _pdbx_struct_assembly_gen.asym_id_list / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id Description: Carbohydrate remediation / Provider: repository / Type: Remediation

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5aoq.cif.gz	386.8 KB	Display	PDBx/mmCIF format
PDB format	pdb5aoq.ent.gz	326.7 KB	Display	PDB format
PDBx/mmJSON format	5aoq.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/ao/5aoq ftp://data.pdbj.org/pub/pdb/validation_reports/ao/5aoq	HTTPS FTP

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Related structure data

Similar structure data	5l6z-d 2x0f-d 5ne7-d 4zdb-d 6b6m-d 4p0s-3 3pzl-d 4r7t-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	#267 - Mar 2022 Vascular Endothelial Growth Factor (VegF similarity (1) #68 - Aug 2005 Neurotrophins similarity (1)

Deposited unit

A: TORSO

B: TORSO

L: PREPROPTTH

M: PREPROPTTH

hetero molecules

90 kDa, 4 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)	53.420, 90.960, 244.280
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	2
3	3

/ NCS ensembles :

ID
1
2
3

NCS oper:

ID	Code	Matrix	Vector
1	given	(-0.99997, 0.00698, 0.00169), (-0.00691, -0.99907, 0.04253), (0.00198, 0.04252, 0.99909)	52.34299, 131.83173, -2.03915
2	given	(-0.99906, 0.03719, 0.02213), (-0.03279, -0.98422, 0.17386), (0.02824, 0.17298, 0.98452)	47.15434, 108.94835, -9.81955

#1: Protein

TORSO /

/ RECEPTOR TYROSINE KINASE TORSO

Mass: 31792.479 Da / Num. of mol.: 2 / Fragment: EXTRACELLULAR DOMAIN, UNP RESIDUES 24-287
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

BOMBYX MORI (domestic silkworm) / Plasmid: PFASTBAC / Production host:

TRICHOPLUSIA NI (cabbage looper)
References: UniProt: D2IYS2,

receptor protein-tyrosine kinase

#2: Protein

PREPROPTTH / PROTHORACICOTROPIC HORMONE PTTH

Mass: 12799.489 Da / Num. of mol.: 2 / Fragment: ACTIVE MATURE FORM, UNP RESIDUES 119-224 / Mutation: YES
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

BOMBYX MORI (domestic silkworm) / Plasmid: PFASTBAC / Production host:

TRICHOPLUSIA NI (cabbage looper) / References: UniProt: Q17238, UniProt: P17219*PLUS

#3: Polysaccharide

2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose

Type: oligosaccharide

/ Mass: 424.401 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source

Descriptor	Type	Program
DGlcpNAcb1-4DGlcpNAcb1-	Glycam Condensed Sequence	GMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1	WURCS	PDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}	LINUCS	PDB-CARE

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.99 Å³/Da / Density % sol: 69.2 % / Description: NONE
Crystal grow	pH: 5.5 Details: 1.5-2.0 M AMMONIUM SULFATE, 100 MM 2-(N-MORPHOLINO)ETHANESULFONIC ACID [MES], PH 5.5

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ALS / Beamline: 8.2.2 / Wavelength: 0.999997
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: Aug 1, 2004
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.999997 Å / Relative weight: 1
Reflection	Resolution: 2.7→200 Å / Num. obs: 33621 / % possible obs: 99.8 % / Observed criterion σ(I): -3 / Redundancy: 7.2 % / B_iso Wilson estimate: 28.87 Å² / R_merge(I) obs: 0.11 / Net I/σ(I): 14.7
Reflection shell	Resolution: 2.7→2.78 Å / Redundancy: 7.1 % / Mean I/σ(I) obs: 0.4 / % possible all: 99.6

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Processing

Software

Name	Classification
PHASER	model building
XDS	data reduction
XSCALE	data scaling
SHELXD	phasing
SHARP	phasing
RESOLVE	phasing
PHASER	phasing
PHENIX	phasing

Refinement

Method to determine structure:

SAD
Starting model: NONE

Resolution: 2.7→19.975 Å / SU ML: 0.66 / σ(F): 1.33 / Phase error: 43.6 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.3622	1569	4.8 %
R_work	0.3418	-	-
obs	0.3428	32734	97.51 %

Solvent computation

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

Displacement parameters

B_iso mean: 59 Å²

Refinement step

Cycle: LAST / Resolution: 2.7→19.975 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5238	0	56	0	5294

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	5466
X-RAY DIFFRACTION	f_angle_d	0.748	7451
X-RAY DIFFRACTION	f_dihedral_angle_d	10.38	2038
X-RAY DIFFRACTION	f_chiral_restr	0.03	816
X-RAY DIFFRACTION	f_plane_restr	0.004	946

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 (%)
2.7001-2.787	0.4876	132	0.4387	2176	X-RAY DIFFRACTION	77
2.787-2.8864	0.4339	131	0.4195	2748	X-RAY DIFFRACTION	97
2.8864-3.0016	0.4094	148	0.4215	2862	X-RAY DIFFRACTION	99
3.0016-3.1377	0.3962	138	0.4094	2881	X-RAY DIFFRACTION	100
3.1377-3.3024	0.4679	151	0.3825	2836	X-RAY DIFFRACTION	100
3.3024-3.5083	0.41	138	0.3727	2902	X-RAY DIFFRACTION	100
3.5083-3.7775	0.3477	145	0.3449	2882	X-RAY DIFFRACTION	100
3.7775-4.1545	0.3524	129	0.3055	2917	X-RAY DIFFRACTION	100
4.1545-4.7486	0.2664	140	0.2642	2927	X-RAY DIFFRACTION	100
4.7486-5.9563	0.2614	165	0.2776	2960	X-RAY DIFFRACTION	100
5.9563-19.9757	0.3482	152	0.3117	3074	X-RAY DIFFRACTION	100

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	0.2	-0.1894	-0.1116	0.2947	-0.2536	1.3533	0.0435	-0.1011	-0.0005	0.3455	-0.0905	0.1111	-0.1959	-0.0807	-0.1666	0.3371	-0.1931	0.0375	0.3274	0.1258	-0.6584	31.1633	77.5053	129.6214
2	4.2032	3.44	0.935	8.3158	1.2911	0.2641	-0.4221	-0.2939	0.3091	0.62	0.1719	0.933	0.3011	-0.4365	0.0753	0.5503	0.2616	-0.0866	0.6228	-0.0049	0.1689	18.7868	75.6483	127.2626
3	2.7425	0.849	-0.7109	1.1922	0.0949	2.2069	-0.0621	-0.2026	0.4	0.2507	0.1725	0.2673	-0.9216	-0.5935	-0.0581	0.5305	0.2954	-0.0773	0.3144	0.1791	-0.0544	30.1823	90.4353	135.0716
4	0.6439	0.0878	-0.4601	0.1658	-0.3346	0.8008	-0.2701	0.0011	-0.048	-0.4114	0.0528	-0.0617	0.4476	0.0175	0.1078	0.3948	-0.1595	-0.1899	0.3311	0.4537	0.6684	41.4144	75.9846	132.5331
5	5.8805	0.1714	-0.2899	5.2962	1.5687	2.124	-0.221	-0.663	-0.0072	1.2107	0.1163	-0.0394	0.1596	0.0511	0.0223	0.544	0.0972	0.0302	0.0918	-0.0333	0.1538	31.2824	85.9022	136.4424
6	0.7277	-0.2203	1.2979	1.7692	-0.9058	2.604	-0.079	-0.0024	0.0957	-0.1538	0.0274	0.3262	-0.2996	-0.5221	-0.1396	0.4253	0.3392	-0.2102	0.2636	0.0498	0.1432	27.7962	85.6575	126.9862
7	4.6093	-0.053	-1.7854	1.9554	-0.179	3.9693	0.2507	1.4716	-0.391	-0.3394	0.1867	-0.454	-0.0126	-0.2721	-0.435	0.9778	-0.0789	-0.0757	0.6538	-0.1792	0.2799	26.7185	98.2424	165.7836
8	8.2776	4.3275	3.2635	5.3192	1.0438	1.8744	0.7605	-1.3332	0.2265	0.2319	-0.6281	0.6952	-0.0767	-0.521	0.2316	0.4404	-0.179	-0.1291	0.5451	-0.3736	0.3516	15.3671	93.7552	167.1601
9	9.4141	3.5198	7.4173	2.0159	2.9804	5.9133	-0.6572	1.6817	0.4829	-1.8383	0.2957	0.3065	-1.6253	0.2113	0.3982	1.5141	-0.1129	-0.0313	1.687	-0.0984	1.0839	37.0414	102.0831	154.0527
10	1.2539	-0.657	0.5582	1.5347	2.2599	5.723	-0.3012	0.6118	-0.1768	-0.4572	0.1676	0.0536	0.888	-0.4475	0.1641	0.9456	0.0074	-0.066	0.8384	-0.1918	0.2099	25.674	86.2098	161.7174
11	6.9337	-2.7279	-0.9785	7.3471	7.0855	7.294	0.1582	0.7118	0.5019	-1.6529	0.2045	-0.898	-1.0694	0.1932	-0.3977	0.859	-0.0111	0.1793	0.2624	-0.1081	0.2981	25.144	96.5985	153.885
12	0.8229	0.2432	0.7318	0.3417	1.4408	6.2132	0.2571	0.1617	-0.2596	0.0088	0.0572	-0.0473	0.8827	0.0806	-0.406	0.8821	-0.1209	-0.3078	0.2668	0.0318	0.2454	18.0554	88.9735	171.6933
13	0.5975	0.9684	-0.5517	3.3269	-3.4471	4.2179	-0.5099	0.0412	-0.3876	-0.3755	0.2125	-0.3563	1.476	0.9598	0.2884	0.7	0.072	0.108	0.5801	-0.3389	0.5485	31.3824	89.3571	165.0454
14	1.8035	-0.0418	0.312	1.1944	-0.9113	0.846	0.1534	-0.6175	0.0666	-0.3539	0.2192	-0.0671	0.0335	0.8802	-0.1811	0.8007	-0.0347	-0.0577	0.6988	-0.377	0.3917	27.8892	94.4151	170.0876
15	3.7462	0.8298	4.4528	0.5059	1.0091	5.293	0.4681	0.8917	-0.1565	-0.5782	-0.0239	0.6677	0.4561	-0.8413	-0.469	0.5708	0.317	-0.1883	0.9398	0.1648	0.5355	9.0015	98.8809	181.62
16	0.5801	0.437	0.0699	1.0092	-0.3628	1.1177	-0.0557	-0.0835	-0.0774	0.1039	-0.1539	-0.4654	-0.0053	0.3274	0.0026	-0.434	-0.2331	0.2124	0.3888	0.3879	-0.5913	27.7282	61.0561	130.1929
17	1.4051	-0.5833	-0.231	2.7185	-0.9133	2.463	-0.1943	-0.2087	-0.4503	0.5882	0.0671	0.3216	0.0027	-0.0885	-0.1194	0.0556	0.3141	-0.0049	0.247	0.2358	0.1993	19.9393	47.0204	136.2787
18	0.4786	0.4053	-0.267	0.6045	-0.9422	3.5141	0.0152	-0.1921	-0.266	-0.1271	-0.0709	-0.2916	0.6101	0.5778	0.3765	0.5567	0.1738	0.2097	0.2511	0.1231	-0.2551	28.4606	49.1241	133.7091
19	5.9259	1.8332	3.3872	1.0494	1.4214	2.2232	-0.367	0.1924	1.0592	0.1329	-0.1058	0.1085	-0.4069	0.1649	0.439	0.4797	-0.2403	0.1831	0.1255	-0.0642	0.4077	11.7215	61.0775	133.8934
20	6.7498	0.0013	0.1297	2.9883	-1.8489	4.4859	-0.3337	-0.8213	0.1064	0.4022	0.4155	0.075	-0.0221	-0.0902	0.1109	0.2049	0.0805	-0.2364	0.0431	0.1288	0.0224	22.0149	52.322	140.3897
21	0.7111	-0.6651	-0.5504	0.6591	0.7264	1.51	-0.0151	0.2301	-0.0443	-0.3544	-0.0776	-0.4576	-0.0682	0.3679	-0.02	-0.3354	-0.2203	0.3706	0.2809	0.1528	0.0184	24.2865	50.7993	129.1142
22	1.8862	1.287	-0.0377	1.6406	-0.0012	0.0013	0.0213	0.7028	0.1632	-0.4169	0.2791	0.1656	0.0089	0.2042	-0.308	0.8504	-0.0205	0.0561	0.8396	0.0613	0.1606	26.6558	40.7305	167.9676
23	8.8373	4.6156	4.0125	8.871	4.181	4.5768	-0.2117	-0.5901	-1.7608	0.3031	0.1198	-0.8637	1.2464	0.7866	0.1051	1.3549	0.316	-0.21	0.7834	0.1425	0.701	48.1329	48.805	174.5607
24	0.9184	0.2296	-0.0556	0.4495	0.124	0.0504	0.1505	-0.1378	0.0228	0.2391	-0.0095	0.0419	-0.1853	0.1394	0.0666	0.6119	0.0432	0.0479	0.5006	0.2822	0.098	32.0444	43.0704	166.142
25	5.5981	0.95	-6.142	0.2142	-1.044	6.7416	-0.7621	2.3574	0.3749	-2.8861	0.1309	0.4843	1.5671	-0.6073	0.5734	1.6634	-0.0308	-0.308	1.5276	0.4378	0.8475	16.1561	36.5396	156.0279
26	1.4432	1.0767	-0.1044	1.6631	-1.1141	1.2427	-0.1166	0.0744	0.0104	-0.0346	-0.0456	-0.0968	-0.3505	0.3468	0.1188	0.7436	0.1695	0.2037	0.5829	0.4132	0.084	27.668	52.4449	163.4339
27	1.7474	-0.9127	1.2075	0.5587	-1.2411	5.3911	0.133	-0.0363	-0.2489	-0.2453	0.1445	0.1683	0.2243	-0.5226	-0.2924	0.8514	0.0626	-0.2237	0.6304	0.4044	0.3199	28.166	41.89	155.934
28	0.5536	-0.3561	0.8637	0.5485	-0.3931	1.438	0.0552	0.2979	0.2452	-0.0648	0.0422	0.0362	-0.2098	-0.0476	-0.1249	0.5523	-0.2673	-0.0228	0.3343	0.2591	-0.0251	28.2334	49.7299	169.9805
29	0.3725	-0.0004	0.3176	0.431	-0.082	1.2876	0.1266	-0.1225	0.0157	-0.0951	0.1435	0.0104	0.3511	-0.015	0.1516	0.3308	0.1819	-0.0111	0.5895	0.406	0.0126	25.3749	44.5448	172.1037
30	1.0022	-0.2778	-0.4409	2.4509	1.0537	5.0886	0.3742	1.2323	0.3619	-0.5383	-0.3051	-0.5854	-0.2055	1.0407	-0.0656	0.4026	0.278	-0.1377	0.7675	-0.1672	0.5842	44.2675	39.9121	183.6735
31	7.3861	-2.8338	-1.3896	3.6595	-0.7431	3.4136	0.2121	-1.204	0.2695	1.2219	-0.0549	-0.5737	-0.1668	-0.4308	-0.1395	0.8486	-0.0869	-0.325	0.5861	0.1256	0.5563	23.03	61.9468	177.4044
32	3.3972	1.3253	-0.1966	6.4688	2.3484	2.7927	-0.3186	0.3979	-0.0281	-0.4344	0.1864	0.3234	0.5712	0.0854	-0.0018	0.664	-0.0845	-0.2199	0.2359	0.1956	0.2542	21.3333	60.213	160.4949
33	3.2444	-0.3331	-1.135	3.7283	0.6386	0.5676	0.1539	0.1828	0.2211	0.4164	0.0132	0.4294	0.3516	-1.0252	-0.2234	0.5686	0.1923	0.2071	0.8295	0.0448	0.4139	18.079	69.0849	168.9418
34	2.4799	-1.3678	-0.8419	2.3922	1.5291	3.5068	-0.5039	0.6626	0.4526	-0.2187	0.1607	0.0238	-0.2033	-0.7409	0.213	1.0394	0.0086	0.0207	0.9369	0.1683	0.3062	20.3676	72.9697	159.1937
35	2.0168	0.4524	1.5804	0.8538	0.83	5.1531	0.2874	0.4894	-0.0092	-0.3976	-0.1116	-0.0038	-1.0175	0.5649	-0.0914	1.2512	-0.1696	-0.4097	1.0847	-0.0316	0.4131	25.6239	79.3748	186.9327
36	1.4441	-0.6358	-0.5382	3.5385	-1.4219	1.0405	-0.3195	0.787	0.0153	-0.6364	0.2589	-0.2207	-0.4485	0.3829	-0.0468	1.0184	0.0956	0.1464	0.9921	-0.0684	0.1363	31.787	77.7181	161.7011
37	1.6667	-1.6575	-0.739	2.4094	-1.4196	6.4117	-0.1838	0.4982	0.1594	-0.3229	0.128	0.5981	-0.4682	-0.6073	-0.0083	1.4478	0.0367	-0.2146	1.4882	0.1046	0.3302	35.2257	71.0628	184.9803
38	0.4726	-1.3308	0.7929	4.7283	-2.9241	1.8139	0.2312	1.298	0.6882	-1.3652	-0.2707	-0.8962	-0.2073	1.8362	0.092	1.1462	-0.2089	-0.0309	1.0434	0.1886	0.4091	32.9316	68.232	156.4205
39	2.1143	-3.6271	-2.7939	8.5775	8.101	8.345	0.5342	-0.621	0.608	-0.3253	-0.439	-0.2649	-0.6033	-0.1396	-0.0876	1.9595	0.3643	-0.2912	1.2122	0.2611	1.1935	41.5035	65.6148	146.9439
40	8.1422	-3.4333	-3.1697	6.1881	-1.5469	2.9866	0.5476	0.6799	-0.3609	-0.263	0.4108	-0.9211	0.5386	0.9513	-0.8941	1.1793	0.3851	-0.0382	0.83	-0.2121	0.5894	30.8019	58.6244	148.7033
41	0.0755	0.0701	-0.4197	0.568	-1.4945	4.7201	0.015	-0.1578	0.154	0.2343	-0.3871	-0.0289	-0.6399	-0.3681	0.3499	0.3693	-0.1167	-0.0133	1.5286	-0.2886	0.3575	33.9356	66.1999	152.7643
42	8.232	-4.0435	6.5762	5.5499	-3.4651	6.2064	-0.4658	0.5181	0.3662	-0.3046	0.375	0.3182	-1.3941	-1.0535	0.005	0.6081	-0.0337	-0.0715	0.5409	0.1789	0.112	35.0462	66.7415	181.8255

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN A AND (RESID 4 THROUGH 27 )
2	X-RAY DIFFRACTION	2	CHAIN A AND (RESID 28 THROUGH 47 )
3	X-RAY DIFFRACTION	3	CHAIN A AND (RESID 48 THROUGH 80 )
4	X-RAY DIFFRACTION	4	CHAIN A AND (RESID 81 THROUGH 89 )
5	X-RAY DIFFRACTION	5	CHAIN A AND (RESID 90 THROUGH 116 )
6	X-RAY DIFFRACTION	6	CHAIN A AND (RESID 117 THROUGH 133 )
7	X-RAY DIFFRACTION	7	CHAIN A AND (RESID 147 THROUGH 158 )
8	X-RAY DIFFRACTION	8	CHAIN A AND (RESID 159 THROUGH 171 )
9	X-RAY DIFFRACTION	9	(CHAIN A AND (RESID 172 THROUGH 180 )) OR (CHAIN A AND RESI 9172) OR (CHAIN A AND RESI 8172)
10	X-RAY DIFFRACTION	10	CHAIN A AND (RESID 181 THROUGH 197 )
11	X-RAY DIFFRACTION	11	CHAIN A AND (RESID 198 THROUGH 207 )
12	X-RAY DIFFRACTION	12	CHAIN A AND (RESID 208 THROUGH 214 )
13	X-RAY DIFFRACTION	13	CHAIN A AND (RESID 215 THROUGH 222 )
14	X-RAY DIFFRACTION	14	CHAIN A AND (RESID 223 THROUGH 239 )
15	X-RAY DIFFRACTION	15	CHAIN A AND (RESID 240 THROUGH 249 )
16	X-RAY DIFFRACTION	16	CHAIN B AND (RESID 4 THROUGH 43 )
17	X-RAY DIFFRACTION	17	CHAIN B AND (RESID 44 THROUGH 67 )
18	X-RAY DIFFRACTION	18	CHAIN B AND (RESID 68 THROUGH 80 )
19	X-RAY DIFFRACTION	19	CHAIN B AND (RESID 81 THROUGH 89 )
20	X-RAY DIFFRACTION	20	CHAIN B AND (RESID 90 THROUGH 110 )
21	X-RAY DIFFRACTION	21	CHAIN B AND (RESID 111 THROUGH 133 )
22	X-RAY DIFFRACTION	22	CHAIN B AND (RESID 147 THROUGH 158 )
23	X-RAY DIFFRACTION	23	CHAIN B AND (RESID 159 THROUGH 163 )
24	X-RAY DIFFRACTION	24	CHAIN B AND (RESID 164 THROUGH 171 )
25	X-RAY DIFFRACTION	25	(CHAIN B AND (RESID 172 THROUGH 180 )) OR (CHAIN B AND RESI 7172) OR (CHAIN B AND RESI 6172)
26	X-RAY DIFFRACTION	26	CHAIN B AND (RESID 181 THROUGH 197 )
27	X-RAY DIFFRACTION	27	CHAIN B AND (RESID 198 THROUGH 207 )
28	X-RAY DIFFRACTION	28	CHAIN B AND (RESID 208 THROUGH 222 )
29	X-RAY DIFFRACTION	29	CHAIN B AND (RESID 223 THROUGH 239 )
30	X-RAY DIFFRACTION	30	CHAIN B AND (RESID 240 THROUGH 249 )
31	X-RAY DIFFRACTION	31	CHAIN L AND (RESID 9 THROUGH 19 )
32	X-RAY DIFFRACTION	32	CHAIN L AND (RESID 20 THROUGH 34 )
33	X-RAY DIFFRACTION	33	CHAIN L AND (RESID 35 THROUGH 66 )
34	X-RAY DIFFRACTION	34	CHAIN L AND (RESID 67 THROUGH 97 )
35	X-RAY DIFFRACTION	35	CHAIN M AND (RESID 4 THROUGH 14 )
36	X-RAY DIFFRACTION	36	CHAIN M AND (RESID 15 THROUGH 34 )
37	X-RAY DIFFRACTION	37	CHAIN M AND (RESID 35 THROUGH 52 )
38	X-RAY DIFFRACTION	38	CHAIN M AND (RESID 53 THROUGH 62 )
39	X-RAY DIFFRACTION	39	CHAIN M AND (RESID 63 THROUGH 67 )
40	X-RAY DIFFRACTION	40	CHAIN M AND (RESID 68 THROUGH 77 )
41	X-RAY DIFFRACTION	41	CHAIN M AND (RESID 78 THROUGH 88 )
42	X-RAY DIFFRACTION	42	CHAIN M AND (RESID 89 THROUGH 97 )

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