PDB-3ty5: Crystal Structure of C. thermocellum PNKP Ligase domain in comple...

ID or keywords:

Entry

Database: PDB / ID: 3ty5

Title

Crystal Structure of C. thermocellum PNKP Ligase domain in complex with ATP

Components

Polynucleotide 2',3'-cyclic phosphate phosphodiesterase / polynucleotide 5'-hydroxyl-kinase / polynucleotide 3'-phosphatase

Keywords

TRANSFERASE / DNA ligase/mRNA capping enzyme /

RNA Ligase /

Adenylyltransferase / HEN1

Function / homology

Function and homology information

hydrolase activity / carbohydrate metabolic process / GTP binding /

ATP binding /

metal ion binding
Similarity search - Function

Biological species

Clostridium thermocellum (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.4 Å

Authors

Smith, P. / Wang, L. / Shuman, S.

Citation

Journal: Proc.Natl.Acad.Sci.USA / Year: 2012
Title: The adenylyltransferase domain of bacterial Pnkp defines a unique RNA ligase family.
Authors: Smith, P. / Wang, L.K. / Nair, P.A. / Shuman, S.

History

Deposition	Sep 23, 2011	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jan 25, 2012	Provider: repository / Type: Initial release
Revision 1.1	Feb 22, 2012	Group: Database references
Revision 1.2	Feb 29, 2012	Group: Database references
Revision 1.3	Feb 28, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / 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

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ty/3ty5 ftp://data.pdbj.org/pub/pdb/validation_reports/ty/3ty5	HTTPS FTP

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Related structure data

Related structure data	3ty8C 3ty9C C: citing same article (ref.)
Similar structure data	4djw-d 3l58-d 5htz-d 2qp8-d 4fs4-d 5hu1-d 4r93-d 4djv-d 3l5e-d 4r95-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	#225 - Sep 2018 Phytase similarity (3)

Deposited unit

A: Polynucleotide 2',3'-cyclic phosphate phosphodiesterase / polynucleotide 5'-hydroxyl-kinase / polynucleotide 3'-phosphatase

B: Polynucleotide 2',3'-cyclic phosphate phosphodiesterase / polynucleotide 5'-hydroxyl-kinase / polynucleotide 3'-phosphatase

hetero molecules

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

1

Idetical with deposited unit
defined by software

Unit cell

Length a, b, c (Å)	63.989, 94.381, 75.314
Angle α, β, γ (deg.)	90.00, 93.51, 90.00
Int Tables number	4
Space group name H-M	P12₁1

Details

THE DIMERIC CONFIGURATION SEEN HERE IS NOT RELATED BY PROPER SYMMETRY AND IS UNLIKELY TO REPRESENT THE CONFIGURATION PRESENT IN THE HEN1/PNKP HETEROTETRAMER

#1: Protein	Polynucleotide 2',3'-cyclic phosphate phosphodiesterase / polynucleotide 5'-hydroxyl-kinase / polynucleotide 3'-phosphatase Mass: 47475.262 Da / Num. of mol.: 2 / Fragment: Nucleotide Ligase / Mutation: E529G Source method: isolated from a genetically manipulated source Details: See Citation / Source: (gene. exp.) Clostridium thermocellum (bacteria) / Strain: ATCC 27405 / Gene: Cthe_2768 / Plasmid: pET16b / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: A3DJ38, RNA ligase (ATP)
#2: Chemical	ChemComp-ATP / ADENOSINE-5'-TRIPHOSPHATE / Adenosine triphosphate Mass: 507.181 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₀H₁₆N₅O₁₃P₃ / Comment: ATP, energy-carrying molecule*YM
#3: Chemical	ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE / Adenosine diphosphate Mass: 427.201 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₀H₁₅N₅O₁₀P₂ / Comment: ADP, energy-carrying molecule*YM
#4: Chemical	ChemComp-PGE / TRIETHYLENE GLYCOL / Polyethylene glycol Mass: 150.173 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₆H₁₄O₄
#5: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 213 / 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: 2.39 Å³/Da / Density % sol: 48.55 %
Crystal grow	Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 0.2-0.25 M di-ammoinium tartrate and 20% (w/v) Polyethylene Glycol 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K

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Data collection

Diffraction	Mean temperature: 130 K
Diffraction source	Source: SYNCHROTRON / Site: NSLS / Beamline: X25 / Wavelength: 1.1 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Feb 15, 2011 / Details: See Beamline Documentation
Radiation	Monochromator: See Beamline Documentation / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.1 Å / Relative weight: 1
Reflection	Resolution: 2.4→50 Å / Num. all: 30993 / % possible obs: 99.1 % / Observed criterion σ(I): -3

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Processing

Software

Name	Version	Classification
CBASS		data collection
PHENIX		model building
PHENIX	(phenix.refine: 1.7_650)	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.4→44.33 Å / SU ML: 0.31 / σ(F): 1.37 / Phase error: 24.61 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2247	1728	5.1 %	Random
R_work	0.1776	-	-	-
obs	0.18	33879	96.7 %	-

Solvent computation

Shrinkage radii: 0.95 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 42.389 Å² / k_sol: 0.326 e/Å³

Displacement parameters

	B_aniso -1	B_aniso -2	B_aniso -3
1-	4.1058 Å²	0 Å²	7.7062 Å²
2-	-	0.7172 Å²	-0 Å²
3-	-	-	-4.823 Å²

Refinement step

Cycle: LAST / Resolution: 2.4→44.33 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	6100	0	68	213	6381

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	6300
X-RAY DIFFRACTION	f_angle_d	1.102	8514
X-RAY DIFFRACTION	f_dihedral_angle_d	14.13	2352
X-RAY DIFFRACTION	f_chiral_restr	0.06	919
X-RAY DIFFRACTION	f_plane_restr	0.003	1084

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 (%)
2.4002-2.4708	0.3344	110	0.2755	2078	X-RAY DIFFRACTION	76
2.4708-2.5505	0.3519	129	0.28	2400	X-RAY DIFFRACTION	87
2.5505-2.6417	0.3687	120	0.2758	2722	X-RAY DIFFRACTION	98
2.6417-2.7474	0.3244	155	0.2439	2755	X-RAY DIFFRACTION	100
2.7474-2.8724	0.2956	162	0.2322	2735	X-RAY DIFFRACTION	100
2.8724-3.0238	0.2815	147	0.2144	2778	X-RAY DIFFRACTION	100
3.0238-3.2132	0.2739	138	0.2011	2773	X-RAY DIFFRACTION	100
3.2132-3.4613	0.2153	171	0.1857	2742	X-RAY DIFFRACTION	100
3.4613-3.8094	0.2234	143	0.1598	2773	X-RAY DIFFRACTION	100
3.8094-4.3602	0.1776	166	0.1405	2760	X-RAY DIFFRACTION	100
4.3602-5.4918	0.1652	149	0.1358	2789	X-RAY DIFFRACTION	100
5.4918-44.3377	0.2042	138	0.1648	2846	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	1.4319	-0.3355	0.5147	4.5032	-1.0527	0.3883	0.1273	0.0283	-0.0699	-0.0548	0.1848	0.5834	0.447	0.1166	-0.2573	1.6966	0.3168	0.1013	1.2037	0.1912	1.3613	22.445	18.2233	9.3234
2	1.1948	0.6804	-0.9786	1.5522	-0.6835	1.4997	-0.1327	-0.0253	-0.1457	-0.0487	0.3853	-0.0492	0.2563	-0.1893	-0.0501	0.4155	-0.0476	-0.0069	0.3318	0.0608	0.3637	23.3631	13.8356	24.9792
3	0.3723	-0.1001	0.2298	0.0777	0.0164	0.3164	0.0279	-0.1767	-0.2763	0.1966	-0.0484	-0.0267	0.2671	-0.0207	-0.2035	0.3762	0.0894	0.0358	0.2641	0.6635	0.6348	22.5478	0.9832	41.3919
4	1.4489	0.6413	-0.4626	0.4161	0.1111	0.9335	-0.0879	-0.2589	-0.351	-0.1489	0.1418	0.0129	-0.1027	0.1725	-0.0383	0.3201	0.0414	-0.0037	0.2386	0.0648	0.3081	17.8086	16.9078	34.4686
5	1.8544	-0.1867	-0.8965	0.4525	0.9936	2.2935	0.3158	0.0487	0.4376	-0.4011	-0.0936	-0.2852	-0.709	0.1019	-0.2059	0.4423	-0.0857	0.057	0.302	0.0049	0.5064	31.5413	35.8579	20.6651
6	1.0191	0.1422	0.1539	1.6698	-0.0348	0.6716	0.2095	0.3388	0.2971	-0.7384	-0.1917	0.3035	-0.3068	0.1613	-0.017	0.3453	0.0507	0.0037	0.2223	-0.0112	0.2947	20.7454	27.4146	17.9997
7	0.6113	0.566	-0.0956	1.2814	-0.4085	0.3248	0.2358	-0.2183	0.3697	0.2194	0.0256	0.1873	-0.6553	0.1275	0.6001	0.4678	-0.1008	0.0408	0.1951	-0.0914	0.3035	23.4108	33.3242	29.4635
8	0.967	-0.3109	0.4351	0.9394	0.5298	0.7439	0.4619	-0.1239	0.1769	0.2104	-0.1205	-0.048	-0.129	-0.2422	-0.1083	0.4837	0.0693	0.1808	0.4085	0.0464	0.4124	2.3562	23.803	37.2623
9	0.9171	-0.1103	0.9878	0.0339	-0.1575	1.3434	0.3388	-0.2136	-0.2497	0.0857	0.4261	0.4327	0.5148	-0.4876	-0.332	0.6043	-0.1507	-0.1257	0.4468	0.0696	0.4938	-2.7935	7.7794	20.2972
10	3.2818	2.1411	0.3041	3.2071	2.8875	4.1466	0.1423	0.0581	0.1375	0.3537	-0.3708	-0.0023	0.4332	-0.3449	0.1715	0.685	-0.265	0.1025	0.9118	0.2322	0.7067	-25.0143	8.1684	6.916
11	1.6519	-2.0489	-0.0343	2.5658	0.1257	1.6509	-0.0328	-0.1194	0.1507	0.1954	0.0328	-0.4835	0.3451	0.3608	0.0544	0.6498	-0.0044	-0.0502	0.5797	0.1058	0.5416	-11.1828	12.1657	7.0158
12	0.8837	-0.02	-1.1625	3.4353	0.8396	1.7197	-0.1038	0.4334	0.1079	0.0674	0.1062	0.7267	-0.0646	-0.111	-0.014	0.3643	0.0581	-0.0067	0.4545	0.0228	0.4169	1.5631	18.1224	19.671
13	2.4	0.7686	-0.0616	0.4928	-0.0532	0.6319	0.1951	-0.3003	0.1619	0.5004	-0.0345	0.0119	-0.3521	0.1338	-0.0708	0.387	-0.0561	-0.0259	0.3115	-0.0134	0.3008	24.491	25.4263	31.9947
14	1.1962	-0.5013	-0.9395	2.4851	0.4645	0.7505	0.2337	-0.4869	0.1981	0.6371	-0.0534	0.2697	-0.4268	0.1707	-0.0969	0.6957	-0.1358	0.0179	0.5305	-0.0522	0.3968	24.7783	29.7846	39.3936
15	1.1397	-0.6867	0.2356	1.146	0.2404	0.2576	-0.1011	-0.9127	-0.1504	0.7539	0.1107	0.1061	-0.499	-0.3937	-0.0027	0.5575	0.0503	-0.086	0.6078	0.1717	0.3704	17.1485	10.7963	46.4738
16	0.6292	-0.4718	-0.6864	1.255	-0.3052	1.71	-0.2481	-0.4854	0.1842	0.0067	-0.0708	-0.529	-0.0921	0.691	0.2225	0.3386	0.0249	-0.061	0.5305	0.2136	0.4818	29.8232	8.2835	35.7966
17	3.7828	1.1567	2.1635	1.9006	0.4073	1.2807	-0.0312	-0.7665	-0.2501	0.0668	-0.1349	0.2608	0.1037	-0.2461	0.0162	0.3814	-0.0254	-0.0249	0.4519	0.1243	0.5139	6.6623	4.3039	33.0787
18	3.6168	-0.4785	-1.6257	0.0716	0.3001	1.6323	-0.1403	-0.0422	-0.9568	0.2261	-0.1755	-0.032	0.7827	-0.1501	0.1445	0.9709	-0.3101	-0.2694	0.4943	0.1339	1.0172	4.9295	-6.1918	32.5853
19	0.0813	-0.101	0.1364	0.2891	-0.3925	1.6906	-0.166	-0.1187	-0.416	-0.1372	-0.0341	-0.2525	0.3311	0.4012	0.1445	0.2853	0.008	0.0674	0.2642	0.0784	0.4613	31.292	11.4381	21.8752
20	2.7373	1.283	-1.0734	2.0252	-1.2934	0.8514	-0.112	0.4705	-0.1582	-0.4508	0.1632	-0.1352	0.6359	-0.1674	0.0172	0.3656	-0.0742	-0.0194	0.2733	-0.1356	0.372	21.3043	6.8446	18.5677
21	1.7984	-1.7358	-1.1838	2.1468	0.9036	1.0459	0.3599	-0.8592	0.0259	0.0891	-0.3122	-0.9401	-0.3033	0.4633	-0.0737	0.4308	-0.1042	0.0875	0.6533	0.1729	0.7101	-17.0308	21.8843	10.0091
22	1.3502	-0.0002	-0.8488	0.2486	-0.1271	1.2915	-0.0892	0.13	-0.0352	-0.1276	-0.0367	-0.0811	0.3599	-0.0709	0.0375	0.4029	0.0177	0.1201	0.3921	0.0728	0.4102	-11.6153	17.7365	-10.1863
23	1.4057	-0.4998	-0.7305	1.3434	0.0162	1.1281	-0.263	0.1814	-0.1105	-0.4629	-0.3679	-0.342	0.6131	0.3712	0.1257	0.413	0.0888	0.0825	0.3959	0.0573	0.3074	-0.7421	16.7233	-26.684
24	1.0221	0.5339	-0.6175	0.6268	-0.388	1.3743	0.0994	-0.0396	-0.2172	0.1929	-0.0184	-0.073	-0.403	0.2233	-0.0446	0.3802	0.0535	0.0243	0.4743	0.0255	0.298	-9.8513	27.4673	-14.1846
25	0.6062	-0.7581	-0.0204	1.2875	0.3754	2.3404	0.2971	0.1601	-0.0618	0.2485	-0.0488	0.5094	-0.196	-0.7547	-0.0443	0.3338	0.0092	0.1415	0.5194	0.0607	0.3936	-31.017	27.5953	-0.9825
26	1.0994	-0.0947	-0.0145	3.2888	0.4281	1.6043	0.042	0.1297	-0.1218	0.0797	-0.1091	-0.5552	-0.6044	0.0178	0.0196	0.5117	-0.0379	0.0128	0.32	0.0213	0.3856	-16.2898	28.502	2.8741
27	2.9879	-1.3967	2.3726	0.6532	-1.0718	4.7304	0.124	-0.1964	0.5069	0.142	-0.149	-0.07	-0.7353	-0.4412	-0.0501	0.5769	0.1243	0.1457	0.4704	-0.0116	0.5195	-25.1106	38.28	-6.1833
28	1.0481	-0.0657	-0.7567	1.1195	-0.3506	2.1641	0.0686	0.0864	-0.1107	-0.0188	0.0287	0.2291	-0.3521	-0.6157	-0.0938	0.3057	0.0628	0.0423	0.4212	0.0346	0.3596	-19.3961	30.0158	-7.9601
29	1.2696	0.2391	-0.0487	2.8411	1.1309	0.4633	-0.0231	0.6136	0.0647	-0.4177	0.2512	-0.0404	-0.292	-0.1555	-0.0705	0.3652	0.0584	-0.0825	0.4407	0.0577	0.2828	9.0985	18.2513	17.0663
30	3.6106	0.8553	-1.273	0.4723	0.2463	5.6387	-0.1132	0.5615	-1.329	-0.8555	0.0582	-0.1194	0.8068	-0.123	0.043	0.8519	-0.0407	-0.1438	0.4829	-0.1698	0.8096	4.5549	0.6156	14.2651
31	1.5744	-0.057	-0.2449	2.7227	-0.3923	0.0982	-0.167	0.6141	-0.0247	-0.8181	0.0498	0.0534	0.3634	0.4196	0.0381	0.7438	0.0186	-0.1387	0.9671	0.0841	0.5262	5.9626	18.144	2.9518
32	1.9251	0.1412	-1.6386	2.6956	1.3352	3.2179	0.0476	-0.6449	0.4815	0.7214	-0.1582	0.042	0.0672	0.5443	-0.0148	0.7264	-0.181	-0.0692	0.6233	-0.0825	0.5525	-0.2018	34.2676	-3.8675
33	2.8771	0.551	0.0501	1.6701	0.4836	2.8053	0.2827	0.2919	0.5021	0.0621	-0.2349	0.1517	-0.3101	-0.5016	-0.0522	0.3764	0.0217	0.0431	0.4717	0.0799	0.3801	-20.11	30.44	-11.1952
34	1.6818	-0.0602	0.2371	0.792	1.02	1.4262	0.3828	0.591	0.0645	-0.3555	0.0389	-0.0266	-0.3574	-0.3394	-0.165	0.5043	0.0825	0.0051	0.6601	0.043	0.3965	-22.1556	28.1427	-21.3755
35	2.0184	-0.4175	0.7328	1.854	-0.6446	0.9842	0.3549	0.3451	0.4467	0.1369	-0.1311	-0.0951	-0.2014	0.2062	-0.1458	0.5256	0.1283	0.1549	0.4382	0.0597	0.4691	-16.3334	39.0284	-15.1444
36	1.6105	0.1813	0.0073	1.249	0.0425	0.3839	0.0711	0.3371	0.3288	-0.2855	-0.1093	-0.1083	-0.4413	0.0081	-0.0049	0.4191	0.0453	0.0372	0.4891	0.0369	0.342	-2.4814	27.0236	-26.7149
37	1.3478	0.0163	-0.6233	1.9103	-0.3109	2.1603	-0.229	0.1027	-0.0089	-0.3418	-0.1874	-0.1803	0.2837	-0.0168	0.2058	0.3731	-0.0545	0.0735	0.4142	0.0083	0.3389	-4.4436	17.7986	-18.694
38	0.4519	-0.8752	-0.7804	3.2975	0.9872	1.723	0.0369	-0.6669	0.2962	-0.0982	0.2847	-1.2228	0.2868	0.6152	-0.0928	0.5091	0.1923	0.1529	0.8019	0.1253	0.9946	10.6384	10.0812	-14.1922
39	0.837	0.9202	-0.4935	1.17	-0.5683	1.5575	-0.1445	0.118	-0.4745	-0.1115	-0.3026	0.1561	0.6014	-0.3544	0.1547	0.4107	-0.1367	0.0157	0.3906	-0.023	0.3714	-20.2745	11.0624	-8.5239
40	1.6038	-0.4356	-0.4856	0.6104	0.0993	0.8044	0.0401	0.1891	-0.0945	-0.1212	-0.3715	-0.0725	0.0478	0.4376	0.1341	0.8207	0.1871	0.0842	0.9053	0.3476	0.7074	-0.9077	12.3381	-5.8194
41	0.1379	-0.1586	-0.1318	0.1994	0.1468	0.1281	-0.0014	0.0218	-0.1388	-0.0659	-0.2628	0.1244	-0.006	-0.0128	0.0995	1.2056	-0.1266	-0.1587	0.6148	0.2434	1.0398	17.5736	14.326	29.619
42	0.2323	0.0717	-0.0285	0.3801	-0.0574	0.1584	0.1353	0.0129	-0.0653	0.0407	-0.0263	-0.0643	-0.0678	0.0066	-0.0625	1.0695	0.1697	0.1864	1.1764	-0.1854	1.1843	-7.537	22.3484	-11.5365

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(chain A and resid 477:481)
2	X-RAY DIFFRACTION	2	(chain A and resid 482:504)
3	X-RAY DIFFRACTION	3	(chain A and resid 505:525)
4	X-RAY DIFFRACTION	4	(chain A and resid 526:538)
5	X-RAY DIFFRACTION	5	(chain A and resid 539:553)
6	X-RAY DIFFRACTION	6	(chain A and resid 554:572)
7	X-RAY DIFFRACTION	7	(chain A and resid 573:611)
8	X-RAY DIFFRACTION	8	(chain A and resid 612:627)
9	X-RAY DIFFRACTION	9	(chain A and resid 628:647)
10	X-RAY DIFFRACTION	10	(chain A and resid 648:664)
11	X-RAY DIFFRACTION	11	(chain A and resid 665:677)
12	X-RAY DIFFRACTION	12	(chain A and resid 678:691)
13	X-RAY DIFFRACTION	13	(chain A and resid 692:720)
14	X-RAY DIFFRACTION	14	(chain A and resid 721:737)
15	X-RAY DIFFRACTION	15	(chain A and resid 738:770)
16	X-RAY DIFFRACTION	16	(chain A and resid 771:793)
17	X-RAY DIFFRACTION	17	(chain A and resid 794:805)
18	X-RAY DIFFRACTION	18	(chain A and resid 806:814)
19	X-RAY DIFFRACTION	19	(chain A and resid 815:855)
20	X-RAY DIFFRACTION	20	(chain A and resid 856:870)
21	X-RAY DIFFRACTION	21	(chain B and resid 477:483)
22	X-RAY DIFFRACTION	22	(chain B and resid 484:504)
23	X-RAY DIFFRACTION	23	(chain B and resid 505:525)
24	X-RAY DIFFRACTION	24	(chain B and resid 526:539)
25	X-RAY DIFFRACTION	25	(chain B and resid 540:563)
26	X-RAY DIFFRACTION	26	(chain B and resid 564:576)
27	X-RAY DIFFRACTION	27	(chain B and resid 577:590)
28	X-RAY DIFFRACTION	28	(chain B and resid 591:621)
29	X-RAY DIFFRACTION	29	(chain B and resid 622:643)
30	X-RAY DIFFRACTION	30	(chain B and resid 644:669)
31	X-RAY DIFFRACTION	31	(chain B and resid 670:680)
32	X-RAY DIFFRACTION	32	(chain B and resid 681:695)
33	X-RAY DIFFRACTION	33	(chain B and resid 696:712)
34	X-RAY DIFFRACTION	34	(chain B and resid 713:731)
35	X-RAY DIFFRACTION	35	(chain B and resid 732:741)
36	X-RAY DIFFRACTION	36	(chain B and resid 742:775)
37	X-RAY DIFFRACTION	37	(chain B and resid 776:805)
38	X-RAY DIFFRACTION	38	(chain B and resid 806:820)
39	X-RAY DIFFRACTION	39	(chain B and resid 821:862)
40	X-RAY DIFFRACTION	40	(chain B and resid 863:870)
41	X-RAY DIFFRACTION	41	(chain A and resid 1001)
42	X-RAY DIFFRACTION	42	(chain B and resid 1001)

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