PDB-2pzm: Crystal structure of the Bordetella bronchiseptica enzyme WbmG in...

ID or keywords:

Entry

Database: PDB / ID: 2pzm

Title

Crystal structure of the Bordetella bronchiseptica enzyme WbmG in complex with NAD and UDP

Components

Putative nucleotide sugar epimerase/ dehydratase

Keywords

SUGAR BINDING PROTEIN /

ROSSMANN FOLD / PROTEIN-NAD COMPLEX / PROTEIN-NUCLEOTIDE COMPLEX

Function / homology

Function and homology information

glutamine metabolic process /

transferase activity /

nucleotide binding
Similarity search - Function

Biological species

Bordetella bronchiseptica (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2 Å

Authors

Harmer, N.J. / King, J.D. / Palmer, C.M. / Maskell, D. / Blundell, T.L.

Citation

Journal: J.Mol.Biol. / Year: 2007
Title: Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis.
Authors: King, J.D. / Harmer, N.J. / Preston, A. / Palmer, C.M. / Rejzek, M. / Field, R.A. / Blundell, T.L. / Maskell, D.J.

History

Deposition	May 18, 2007	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 2, 2007	Provider: repository / Type: Initial release
Revision 1.1	Jul 13, 2011	Group: Advisory / Refinement description / Version format compliance
Revision 1.2	Nov 12, 2014	Group: Structure summary
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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	2pzm.cif.gz	152.9 KB	Display	PDBx/mmCIF format
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PDBx/mmJSON format	2pzm.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/pz/2pzm ftp://data.pdbj.org/pub/pdb/validation_reports/pz/2pzm	HTTPS FTP

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Related structure data

Related structure data	2pzjC 2pzkSC 2pzlC 2q1sC 2q1tC 2q1uC 2q1wC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	1ygr-1 2pzl-d 3es8-2 7m0k-2 7b35-d 4mui-d 1ygu-1 5xtl-d 5wu3-1 1ek5-1 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	#156 - Dec 2012 ABO Blood Type Glycosyltransferases similarity (1) #254 - Feb 2021 Cellulose Synthase similarity (1) #141 - Sep 2011 O-GlcNAc Transferase similarity (1)

Deposited unit

A: Putative nucleotide sugar epimerase/ dehydratase

B: Putative nucleotide sugar epimerase/ dehydratase

hetero molecules

73 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author

Unit cell

Length a, b, c (Å)	58.214, 140.481, 184.139
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	20
Space group name H-M	C222₁

Components on special symmetry positions

ID	Model	Components
1	1	A-834- HOH

Details

The biological unit is a dimer, made up of chains A and B.

#1: Protein	Putative nucleotide sugar epimerase/ dehydratase Mass: 35287.984 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bordetella bronchiseptica (bacteria) / Gene: BbLPS1.15, wbmG / Plasmid: pET15b / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21 (DE3) / References: UniProt: O87988
#2: Chemical	ChemComp-SO4 / SULFATE ION / Sulfate Mass: 96.063 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: SO₄
#3: Chemical	ChemComp-NAD / NICOTINAMIDE-ADENINE-DINUCLEOTIDE / Nicotinamide adenine dinucleotide Mass: 663.425 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₂₁H₂₇N₇O₁₄P₂ / Comment: NAD*YM
#4: Chemical	ChemComp-UDP / URIDINE-5'-DIPHOSPHATE / Uridine diphosphate Type: RNA linking / Mass: 404.161 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₉H₁₄N₂O₁₂P₂ / Comment: UDP*YM
#5: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 473 / 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: 53.85 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 0.1 M Hepes, 1.6 M (NH4)2SO4, 2 % (v/v) PEG 400, 10 mM UDP, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-4 / Wavelength: 0.977 Å
Detector	Type: ADSC QUANTUM 315 / Detector: CCD / Date: May 18, 2006
Radiation	Monochromator: Si 111 Channel / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.977 Å / Relative weight: 1
Reflection	Resolution: 2→30 Å / Num. all: 51224 / Num. obs: 51158 / % possible obs: 99.9 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 2 / Redundancy: 5.9 % / R_merge(I) obs: 0.085 / Net I/σ(I): 19.6
Reflection shell	Resolution: 2→2.03 Å / Redundancy: 5.9 % / R_merge(I) obs: 0.773 / Mean I/σ(I) obs: 2.28 / % possible all: 100

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Processing

Software

Name	Version	Classification
REFMAC	5.2.0019	refinement
ADSC	Quantum	data collection
DENZO		data reduction
SCALEPACK		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2PZK

2pzk

Resolution: 2→30 Å / Cor.coef. F_o:F_c: 0.963 / SU B: 5.135 / SU ML: 0.08 / TLS residual ADP flag: LIKELY RESIDUAL / Isotropic thermal model: ISOTHERMAL WITH TLS / Cross valid method: THROUGHOUT / ESU R: 0.145 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.221	2591	-	RANDOM
R_work	0.1708	-	-	-
obs	0.1708	51115	99.68 %	-
all	-	51224	-	-

Solvent computation

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

Displacement parameters

B_iso mean: 28.315 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	2.65 Å²	0 Å²	0 Å²
2-	-	-1.3 Å²	0 Å²
3-	-	-	-1.35 Å²

Refinement step

Cycle: LAST / Resolution: 2→30 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4685	0	136	473	5294

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.017	0.022	5019
X-RAY DIFFRACTION	r_bond_other_d
X-RAY DIFFRACTION	r_angle_refined_deg	1.7	1.995	6897
X-RAY DIFFRACTION	r_angle_other_deg
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	8.305	5	651
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	35.944	23.968	189
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.805	15	734
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	14.188	15	24
X-RAY DIFFRACTION	r_chiral_restr	0.111	0.2	798
X-RAY DIFFRACTION	r_gen_planes_refined	0.008	0.02	3789
X-RAY DIFFRACTION	r_gen_planes_other
X-RAY DIFFRACTION	r_nbd_refined	0.203	0.2	2370
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined	0.305	0.2	3452
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.187	0.2	415
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	0.223	0.2	64
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined	0.239	0.2	17
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	0.75	1.5	3241
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	1.175	2	5135
X-RAY DIFFRACTION	r_scbond_it	1.867	3	2011
X-RAY DIFFRACTION	r_scangle_it	2.651	4.5	1750
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

LS refinement shell

Resolution: 2.002→2.054 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_work	0.224	3666	-
R_free	-	0	-
obs	-	-	97.89 %

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	11.095	3.5464	2.772	26.7813	-24.4796	25.7793	0.8782	-0.391	0.3171	0.9674	-0.5387	-0.8635	0.8716	-0.0361	-0.3396	0.3186	-0.1965	-0.1001	-0.1202	-0.0263	-0.0248	-12.0569	34.0641	-2.9728
2	0.7617	0.675	0.281	2.8939	-1.8921	2.1005	0.0867	0.0145	0.0924	0.2445	-0.0765	0.3271	0.2963	-0.0011	-0.0102	0.1426	-0.1281	0.0509	-0.0303	-0.0255	-0.002	-15.5658	44.7435	-14.465
3	1.4057	0.9736	-0.3528	4.775	-1.7733	0.6586	0.133	-0.118	0.0587	0.3197	-0.0911	0.2689	0.2126	-0.1838	-0.0419	0.1353	-0.1416	0.0451	0.0153	-0.0302	-0.0132	-19.3803	46.5408	-12.2438
4	7.8876	3.0061	-6.1859	13.8993	-6.608	6.2679	-0.2877	0.1023	0.2271	-0.035	0.2872	0.4875	0.1048	-0.556	0.0005	-0.018	-0.201	0.0412	0.0555	-0.0377	0.0624	-26.7762	48.2686	-18.3406
5	1.9838	-0.8484	0.0223	3.1672	-0.6493	1.8679	0.1184	-0.2121	0.279	0.3343	-0.1145	0.6464	0.0521	-0.1301	-0.0039	0.035	-0.1324	0.1498	0.0338	-0.0297	0.0127	-20.4312	55.5843	-9.3534
6	9.4154	-5.3255	1.2812	14.809	-5.3991	13.5041	-0.2074	-0.7973	0.6973	0.8275	0.3945	-0.0787	0.1535	-0.4259	-0.1871	0.1039	-0.1034	0.0743	0.0924	-0.0313	-0.062	-15.3047	52.8258	-1.5728
7	0.5894	0.4141	-0.2612	0.9134	0.0336	1.0158	0.1092	-0.0239	0.1249	0.0452	-0.056	0.114	0.2009	0.084	-0.0531	0.0459	-0.0745	0.0276	-0.0023	-0.0152	0.0027	-7.1776	57.6095	-19.7214
8	1.3407	-1.1446	0.6886	1.9588	-0.5765	0.9371	0.1386	0.0462	0.0438	-0.0779	0.0232	0.0489	0.1463	0.1328	-0.1618	0.0612	-0.0557	0.0385	0.0068	-0.0484	0.0354	-1.4783	60.8898	-24.676
9	10.6308	-0.9829	0.4714	8.6578	-7.7937	7.5829	0.1393	-0.1913	-0.0998	0.169	-0.014	-0.2429	0.064	-0.1798	-0.1253	0.1184	-0.0969	0.0109	-0.0031	-0.0283	-0.044	0.2389	56.7486	-9.5617
10	0.8073	0.1858	-0.8353	0.0427	-0.1922	0.8642	-0.0071	0.2269	0.0694	0.0715	0.1086	-0.0805	0.3447	-0.1658	-0.1015	0.1213	-0.1049	0.027	0.0499	0.0278	-0.0211	-11.4504	47.5249	-28.9884
11	5.1587	6.3897	-8.3619	10.7912	-4.7634	24.4304	0.2486	0.3566	0.4513	0.0626	0.0621	0.4297	0.3579	-2.2499	-0.3108	-0.0163	-0.3306	-0.0535	0.5409	0.1435	-0.0946	-23.7144	44.2536	-44.9326
12	28.7101	13.3538	5.3941	13.8728	9.3973	21.0162	-0.503	-1.0401	1.7218	-0.4789	0.0924	1.4801	0.3506	-2.6819	0.4106	-0.0554	-0.1231	-0.0105	0.5371	0.1085	0.0122	-19.5276	50.8918	-48.4728
13	1.3642	0.0901	-0.6003	0.2626	-0.6507	3.8286	-0.0268	0.1481	-0.1916	-0.0463	0.0047	-0.093	0.6231	-0.0001	0.0221	0.1577	-0.0555	0.0395	-0.0721	-0.027	-0.0388	-6.1832	43.3065	-26.9812
14	4.8314	4.831	-0.681	27.6285	-1.648	3.246	0.1876	-0.6172	-0.1664	0.0725	-0.09	-0.4627	0.7217	0.8652	-0.0975	0.2152	0.1107	-0.0583	-0.0004	0.0104	-0.1205	2.7071	43.4148	-11.1693
15	2.3677	0.8444	1.9437	0.882	0.4607	7.5337	-0.0023	0.2194	-0.2411	-0.1367	0.1904	-0.2649	0.6892	-0.0157	-0.1882	0.1435	-0.0509	0.0351	-0.005	-0.0274	-0.0905	-4.4475	44.3682	-37.2705
16	25.2813	12.9987	-8.5143	19.8723	-21.5884	25.3264	0.6532	1.2599	-0.2214	0.9354	-0.9054	0.565	1.1099	-0.5728	0.2522	0.3106	-0.2266	0.022	0.143	-0.087	-0.2561	-17.7307	36.8773	-45.678
17	15.4572	25.6929	-9.577	43.2228	-11.9934	35.7964	1.3426	0.023	0.8675	0.0142	-0.8888	3.2501	0.965	-0.4428	-0.4538	0.2304	-0.2749	-0.158	0.4345	0.0324	0.0929	-18.5885	43.7934	-55.8829
18	0.9003	0.8685	0.6704	0.9193	0.8959	9.7514	-0.1036	0.0398	0.4928	0.1876	-0.0986	0.0622	-0.2309	-0.5456	0.2022	0.0216	-0.0191	0.016	0.0858	0.0011	-0.0302	-6.3921	56.4287	-44.3306
19	5.0746	-3.3813	-1.831	9.0095	-10.808	22.0734	-0.2115	0.3207	-0.1946	-0.0926	-0.0806	-0.583	0.3882	0.9011	0.2921	0.1029	0.0279	0.0036	-0.0408	-0.0742	-0.011	4.6397	44.5243	-27.4839
20	4.2819	0.8041	-0.8718	1.8167	-0.3647	2.4595	-0.3898	0.3806	0.0154	-0.0264	0.2495	0.0704	0.8559	-0.2973	0.1403	0.2127	-0.1584	0.0226	-0.1268	-0.0361	-0.1279	-15.1382	38.633	-28.8222
21	9.5996	-7.6852	20.6968	36.6996	-22.9888	45.9717	-1.5483	1.448	-0.6416	-2.1825	-0.8436	1.9868	-0.5315	-0.8447	2.3918	0.2767	-0.2192	-0.1085	-0.0473	-0.0014	0.2013	-1.6684	103.7993	-32.8211
22	0.4503	1.302	-0.0683	3.8418	-0.3586	0.3482	-0.0233	-0.0708	0.2366	0.0792	-0.0802	0.2416	-0.2092	0.1389	0.1036	0.0801	-0.1228	0.0196	-0.0365	0.0055	0.0681	0.5656	92.8613	-20.5025
23	0.9535	1.9901	-1.403	5.9537	-2.8916	6.0833	-0.0082	-0.0144	0.1732	-0.0451	-0.0241	0.2674	-0.2469	-0.0059	0.0323	0.061	-0.0964	0.0355	-0.0526	-0.0116	0.0456	-3.39	94.4606	-18.2313
24	3.7113	-7.7755	2.2634	18.6006	-7.5036	4.6816	-0.4822	-0.4625	0.4025	1.1106	0.2524	-1.5559	-0.5031	-0.2411	0.2298	0.1258	-0.1457	-0.0044	0.0322	-0.1112	0.0627	-0.6406	89.1348	-5.5509
25	2.115	1.5742	-0.2947	5.2126	1.2179	1.7542	0.0989	-0.1082	0.0843	0.4591	-0.0289	0.2773	-0.1357	-0.1554	-0.0699	0.0924	-0.1021	0.0553	-0.0449	-0.0406	0.0071	-8.2878	91.2947	-13.6356
26	6.9129	-10.6112	2.0467	27.4687	9.7809	15.5423	-0.4704	0.2307	-0.3959	0.2398	-0.2091	0.4717	-0.1643	-1.6918	0.6795	-0.1176	-0.0741	0.0158	0.0089	-0.0265	0.1848	-16.0395	86.1091	-21.03
27	1.4363	-1.2874	1.9556	3.8456	-2.2663	2.7605	-0.0885	-0.1478	0.01	0.1268	0.2327	0.3686	-0.1526	-0.2323	-0.1442	0.0294	-0.0938	0.0331	0.0278	0.0039	0.057	-4.5649	84.4477	-18.9116
28	0.9664	-0.2084	-1.1473	2.0467	1.4673	3.1206	-0.0592	-0.0206	0.1135	0.2909	-0.1456	0.2526	0.0893	0.064	0.2048	0.0696	-0.1187	0.0716	-0.0084	-0.0237	0.037	-4.7625	71.0209	-12.1266
29	0.6103	-0.5976	0.3258	2.1276	-0.0198	0.7496	0.0203	0.0916	0.0275	-0.1374	-0.0203	-0.0333	-0.0992	0.1206	0.0001	0.0127	-0.1133	0.0241	0.0279	-0.0047	0.0234	1.4348	76.4352	-24.5706
30	0.4148	0.8671	-0.3402	2.0145	-0.1002	2.1263	0.017	-0.0123	-0.0632	0.0457	0.0034	-0.0679	-0.1424	0.2331	-0.0204	0.0053	-0.0991	0.0511	0.0633	-0.0348	0.0278	5.0192	69.2543	-22.0911
31	5.0374	-6.4834	1.7931	25.9462	-7.2632	6.4281	0.051	0.1749	0.2047	-0.5258	-0.3668	0.1618	0.0783	-0.2095	0.3158	0.0467	-0.0976	0.0033	0.0022	-0.0094	0.0181	-5.8029	76.6227	-31.4776
32	0.5027	0.818	0.5919	1.338	1.0203	1.1629	-0.0714	0.0038	-0.197	-0.0692	0.0423	-0.1482	-0.1693	-0.0523	0.0291	0.0552	-0.1208	0.015	0.059	0.0222	0.0612	10.9235	83.4594	-16.468
33	3.9252	-4.4618	2.8617	37.6626	4.1787	3.7811	-0.2505	-0.7816	-0.1751	-0.0718	0.3746	0.5632	-0.3421	0.0488	-0.124	0.0046	-0.1352	-0.1314	0.1426	0.0736	-0.0761	21.1964	85.3393	-1.1729
34	1.7362	-0.6373	0.9181	10.6362	8.3131	10.702	0.1389	-0.0875	-0.3916	1.2369	-0.1695	-0.5806	0.7387	0.1673	0.0306	0.0504	-0.1948	-0.1294	0.0719	0.1319	-0.0097	23.9216	78.6189	-2.6703
35	2.9725	-2.4061	2.0078	8.3788	-1.226	1.5918	-0.0595	0.0076	0.1743	0.2225	-0.1563	-0.6108	-0.0252	0.1615	0.2158	-0.0232	-0.1796	-0.0206	0.0924	0.0165	0.0491	17.0579	84.2797	-19.4871
36	4.563	0.1525	0.5716	5.4749	3.8806	2.9639	-0.1116	0.38	0.2161	-0.4815	0.063	-0.14	-0.3616	0.2158	0.0486	0.1055	-0.1448	0.0734	0.0321	0.0589	-0.0757	6.6381	86.0571	-31.2755
37	1.8597	-1.1253	0.5255	2.5057	0.9852	2.348	-0.3871	0.3184	-0.0808	-0.088	0.3468	-0.6522	-0.4619	0.8828	0.0403	-0.1007	-0.1876	-0.0562	0.1342	0.0991	0.1384	25.6698	81.7329	-13.5526
38	1.0903	0.869	1.9273	10.1951	3.2905	3.7307	0.5045	-0.4052	-0.0594	1.2386	-0.5529	-0.7885	0.6127	0.0313	0.0483	0.0122	-0.2091	-0.1387	0.2505	0.0993	0.087	25.6367	74.2451	-4.137
39	5.89	-6.4688	6.5488	10.6719	-11.639	16.6217	0.1772	0.5265	-0.1965	-0.6298	-0.2951	-0.5439	0.2999	1.0075	0.118	-0.0374	-0.169	0.1092	0.0853	-0.0167	0.0189	16.4329	77.0507	-29.6539
40	2.3265	0.6319	0.1822	2.5404	1.4914	2.6416	-0.0048	0.0885	0.3568	0.1076	0.0449	-0.3043	-0.4341	0.3672	-0.0401	0.0021	-0.1914	-0.0292	-0.0087	0.0803	0.0334	15.9545	92.4743	-14.6231

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	-6 - 0
2	X-RAY DIFFRACTION	2	A	1 - 20
3	X-RAY DIFFRACTION	3	A	21 - 34
4	X-RAY DIFFRACTION	4	A	35 - 44
5	X-RAY DIFFRACTION	5	A	45 - 60
6	X-RAY DIFFRACTION	6	A	61 - 69
7	X-RAY DIFFRACTION	7	A	70 - 129
8	X-RAY DIFFRACTION	8	A	130 - 150
9	X-RAY DIFFRACTION	9	A	151 - 156
10	X-RAY DIFFRACTION	10	A	157 - 179
11	X-RAY DIFFRACTION	11	A	180 - 186
12	X-RAY DIFFRACTION	12	A	187 - 191
13	X-RAY DIFFRACTION	13	A	192 - 213
14	X-RAY DIFFRACTION	14	A	214 - 219
15	X-RAY DIFFRACTION	15	A	220 - 237
16	X-RAY DIFFRACTION	16	A	238 - 243
17	X-RAY DIFFRACTION	17	A	244 - 249
18	X-RAY DIFFRACTION	18	A	250 - 263
19	X-RAY DIFFRACTION	19	A	264 - 271
20	X-RAY DIFFRACTION	20	A	272 - 308
21	X-RAY DIFFRACTION	21	B	-6 - -1
22	X-RAY DIFFRACTION	22	B	0 - 20
23	X-RAY DIFFRACTION	23	B	21 - 33
24	X-RAY DIFFRACTION	24	B	34 - 39
25	X-RAY DIFFRACTION	25	B	40 - 59
26	X-RAY DIFFRACTION	26	B	60 - 64
27	X-RAY DIFFRACTION	27	B	65 - 82
28	X-RAY DIFFRACTION	28	B	83 - 94
29	X-RAY DIFFRACTION	29	B	95 - 127
30	X-RAY DIFFRACTION	30	B	128 - 150
31	X-RAY DIFFRACTION	31	B	151 - 156
32	X-RAY DIFFRACTION	32	B	157 - 178
33	X-RAY DIFFRACTION	33	B	179 - 182
34	X-RAY DIFFRACTION	34	B	183 - 195
35	X-RAY DIFFRACTION	35	B	196 - 203
36	X-RAY DIFFRACTION	36	B	204 - 222
37	X-RAY DIFFRACTION	37	B	223 - 241
38	X-RAY DIFFRACTION	38	B	242 - 260
39	X-RAY DIFFRACTION	39	B	261 - 273
40	X-RAY DIFFRACTION	40	B	274 - 306

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