PDB-6oiy: Structure of Escherichia coli bound to dGTP

ID or keywords:

Entry

Database: PDB / ID: 6oiy

Title

Structure of Escherichia coli bound to dGTP

Components

Deoxyguanosinetriphosphate triphosphohydrolase

Keywords

metal binding protein / hydrolase / dNTP Triphosphohydrolase / Metalloenzymes / E. coli dGTPase

Function / homology

Function and homology information

pyrimidine deoxyribonucleoside salvage / dGTPase / dGTPase activity / dGTP catabolic process / nucleobase-containing small molecule interconversion / cobalt ion binding / single-stranded DNA binding / manganese ion binding / GTPase activity / magnesium ion binding / identical protein binding
Similarity search - Function

Biological species

Escherichia coli (E. coli)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.29 Å

Authors

Barnes, C.O. / Wu, Y. / Calero, G.

Funding support

United States, 2items

Organization	Grant number	Country
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	R01GM112686	United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	R01GM116642	United States

Citation

Journal: Proc.Natl.Acad.Sci.USA / Year: 2019
Title: The crystal structure of dGTPase reveals the molecular basis of dGTP selectivity.
Authors: Barnes, C.O. / Wu, Y. / Song, J. / Lin, G. / Baxter, E.L. / Brewster, A.S. / Nagarajan, V. / Holmes, A. / Soltis, S.M. / Sauter, N.K. / Ahn, J. / Cohen, A.E. / Calero, G.

History

Deposition	Apr 9, 2019	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 15, 2019	Provider: repository / Type: Initial release
Revision 1.1	May 22, 2019	Group: Data collection / Database references / Category: citation Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.2	Jan 1, 2020	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.3	Mar 13, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_dist_value / _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

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6oiy.cif.gz	1.2 MB	Display	PDBx/mmCIF format
PDB format	pdb6oiy.ent.gz	1 MB	Display	PDB format
PDBx/mmJSON format	6oiy.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	6oiy_validation.pdf.gz	2 MB	Display	wwPDB validaton report
Full document	6oiy_full_validation.pdf.gz	2.1 MB	Display
Data in XML	6oiy_validation.xml.gz	71.4 KB	Display
Data in CIF	6oiy_validation.cif.gz	102.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/oi/6oiy ftp://data.pdbj.org/pub/pdb/validation_reports/oi/6oiy	HTTPS FTP

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Related structure data

Related structure data	6oi7C 6oivC 6oiwC 6oixC C: citing same article (ref.)
Similar structure data	4xds-d 4x9e-d 6oi7-d 6oix-d 6oiv-d 6oiw-d 1fui-d 3a9r-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	#152 - Aug 2012 cAMP-dependent Protein Kinase similarity (2)

Deposited unit

A: Deoxyguanosinetriphosphate triphosphohydrolase

B: Deoxyguanosinetriphosphate triphosphohydrolase

C: Deoxyguanosinetriphosphate triphosphohydrolase

D: Deoxyguanosinetriphosphate triphosphohydrolase

E: Deoxyguanosinetriphosphate triphosphohydrolase

F: Deoxyguanosinetriphosphate triphosphohydrolase

hetero molecules

360 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software
Evidence: light scattering

Unit cell

Length a, b, c (Å)	192.176, 192.176, 299.596
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	96
Space group name H-M	P4₃2₁2

#1: Protein	Deoxyguanosinetriphosphate triphosphohydrolase / dGTPase Mass: 59470.863 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli (strain K12) (bacteria) Strain: K12 / Gene: dgt, b0160, JW0156 / Plasmid: pET21 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: P15723, dGTPase
#2: Chemical	ChemComp-DGT / 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE Mass: 507.181 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₁₀H₁₆N₅O₁₃P₃
#3: Chemical	ChemComp-MN / MANGANESE (II) ION Mass: 54.938 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Mn
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 12 / 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: 3.88 Å³/Da / Density % sol: 68.27 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 8 / Details: 0.1 M Tris-HCl pH 8.0 and 1.6 M Ammonium Sulfate

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SSRL / Beamline: BL12-2 / Wavelength: 0.9798 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Oct 8, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9798 Å / Relative weight: 1
Reflection	Resolution: 3.29→48 Å / Num. obs: 85237 / % possible obs: 99 % / Redundancy: 7.1 % / B_iso Wilson estimate: 115 Å² / R_merge(I) obs: 0.252 / Net I/σ(I): 7.1
Reflection shell	Resolution: 3.29→3.38 Å / Redundancy: 1.2 % / R_merge(I) obs: 0.79 / Mean I/σ(I) obs: 1.2 / Num. unique obs: 5772 / % possible all: 98

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Processing

Software

Name	Version	Classification
PHENIX	(1.10.1_2155: ???)	refinement
XDS		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 3.29→46.87 Å / SU ML: 0.36 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 26.37

	R_factor	Num. reflection	% reflection
R_free	0.241	1970	2.35 %
R_work	0.205	-	-
obs	0.206	83729	98.3 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Refinement step

Cycle: LAST / Resolution: 3.29→46.87 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	24513	0	192	12	24717

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.013	25316
X-RAY DIFFRACTION	f_angle_d	1.399	34278
X-RAY DIFFRACTION	f_dihedral_angle_d	16.449	15121
X-RAY DIFFRACTION	f_chiral_restr	0.067	3644
X-RAY DIFFRACTION	f_plane_restr	0.009	4387

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 (%)
3.2939-3.3762	0.3379	113	0.3364	4571	X-RAY DIFFRACTION	78
3.3762-3.4675	0.3605	139	0.3222	5772	X-RAY DIFFRACTION	99
3.4675-3.5695	0.3096	141	0.3117	5871	X-RAY DIFFRACTION	100
3.5695-3.6847	0.3316	141	0.3059	5853	X-RAY DIFFRACTION	100
3.6847-3.8163	0.3175	141	0.2677	5862	X-RAY DIFFRACTION	100
3.8163-3.969	0.2741	142	0.2441	5882	X-RAY DIFFRACTION	100
3.969-4.1496	0.2617	141	0.2382	5889	X-RAY DIFFRACTION	100
4.1496-4.3682	0.2415	143	0.2136	5915	X-RAY DIFFRACTION	100
4.3682-4.6416	0.2305	142	0.1829	5923	X-RAY DIFFRACTION	100
4.6416-4.9997	0.2124	144	0.1843	5929	X-RAY DIFFRACTION	100
4.9997-5.5021	0.2463	144	0.1999	5971	X-RAY DIFFRACTION	100
5.5021-6.2966	0.2654	143	0.2178	5981	X-RAY DIFFRACTION	100
6.2966-7.9269	0.3122	146	0.2148	6071	X-RAY DIFFRACTION	100
7.9269-46.8734	0.1836	150	0.1669	6269	X-RAY DIFFRACTION	99

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	2.1708	2.2232	0.1166	3.3619	-0.165	1.3619	-0.0237	0.2705	0.0099	-0.0572	0.0104	-0.0701	0.2107	0.1763	0.0002	1.1806	0.0556	-0.0108	1.4644	0.0425	1.3304	59.4891	36.8252	22.3078
2	0.9738	0.0143	-0.4919	2.2258	0.6669	1.2948	0.4517	-0.5935	-0.4869	0.8452	0.875	-1.799	0.4865	0.5791	0.0817	1.5001	-0.2107	-0.3413	2.5159	0.132	1.3612	87.1689	47.5392	39.5066
3	2.8895	2.0736	0.288	1.2917	0.0044	1.2672	0.1409	-0.481	-0.1234	0.1056	-0.1932	-0.2117	0.1915	0.3545	-0.0001	1.1789	0.0485	0.0389	1.2852	0.1185	1.3858	54.3802	30.992	31.062
4	-0.1074	0.8714	1.6834	0.0371	0.5999	2.6631	0.1857	-0.4195	-0.3126	0.104	-0.1534	-0.1705	0.6294	0.0825	-0.4525	1.6722	0.2012	-0.156	2.1384	0.2106	1.6914	73.8887	1.9141	71.8279
5	1.6965	1.4869	0.3182	8.0997	1.0049	1.6899	-0.6085	-0.3404	0.38	0.9902	-0.0723	1.5946	0.1883	-0.6578	-0.9684	1.0836	-0.1356	0.0994	1.7569	0.0476	1.1062	50.5992	11.0226	94.7178
6	1.1903	-1.0101	0.4337	2.2988	0.9002	1.5676	0.2291	-0.2501	-0.2178	0.3633	-0.2575	-0.1618	0.1352	-0.3185	-0.0005	1.5847	0.0903	-0.1234	1.8085	0.1965	1.6043	65.1143	8.3201	65.3965
7	1.4017	0.2886	2.3007	1.5773	0.0347	1.8935	0.9116	-0.3642	-0.416	0.786	-0.4792	0.5503	0.1369	0.184	0.0986	1.1955	0.1244	0.2109	1.3897	0.1686	1.4391	10.2853	18.6756	69.1914
8	0.7806	-0.0856	0.6172	-0.2315	0.5086	1.3675	0.3817	-0.8324	-0.3306	0.6558	-0.2015	0.0042	-0.2693	-0.3516	-0.0009	1.2389	-0.0574	0.0732	1.3537	0.3334	1.6794	0.1466	24.7504	63.5228
9	0.8907	-3.1492	-1.4815	2.2372	1.0516	1.6824	0.1382	0.1725	-0.1838	-0.4384	-0.1216	0.0192	0.1957	-0.4538	-0.0002	1.2323	0.0059	0.0295	1.1375	0.0448	1.324	17.8234	8.3126	52.9143
10	3.0676	4.8277	3.831	9.0154	6.5801	4.6696	0.4078	-0.7813	2.4316	-0.7683	-0.9695	1.6414	-1.1148	-1.1416	-1.6989	1.4245	0.0582	0.1214	1.2578	0.1728	1.5242	10.9997	45.339	43.8392
11	1.4908	-0.1031	-1.1931	0.6788	-0.4836	0.5343	0.3381	-0.1054	0.3625	-0.6636	-0.4037	-0.1192	-0.2381	0.3553	0	1.405	-0.0327	0.143	1.5591	0.0176	1.7726	5.4361	30.2637	48.5082
12	4.4806	-0.3897	0.4193	1.4249	0.0793	2.6205	0.5502	-0.6179	-0.8446	0.1443	-0.1856	-0.1349	-0.0031	-0.1263	0.0004	1.2901	0.0031	0.0187	1.616	0.137	1.6909	35.5346	7.3934	61.2368
13	-0.0053	0.0937	-0.1842	0.2898	0.1429	0.2831	1.1878	-0.6022	0.528	0.3534	-1.1228	0.4317	2.9979	1.1368	-0.0004	2.6112	-0.2078	-0.2334	3.0891	0.0799	1.7258	77.3172	20.0629	103.6449
14	0.1089	0.4277	-0.0632	1.1967	-0.0756	-0.0027	-0.6664	0.25	1.0492	0.2245	0.1631	-0.7976	-0.9969	0.9548	0.0007	1.9753	-0.1446	-0.2242	2.686	0.3537	2.1217	75.1394	25.9103	80.3496
15	-0.0014	-0.1456	0.1369	0.0283	-0.1097	0.2494	-1.6839	1.3301	1.1484	-0.5994	0.7837	-0.5584	1.0717	1.1736	-0.0132	2.1569	-0.3118	-0.8286	2.8295	0.2765	2.1566	88.2943	21.0609	96.3309
16	-0.4298	-0.0214	0.187	1.3223	-1.5429	1.6313	0.2193	0.308	0.4889	-0.4015	-0.5487	1.0083	0.9201	0.5548	0	1.8757	-0.3093	-0.1078	2.0547	-0.156	1.7136	63.4908	54.0832	93.145
17	0.294	-0.2271	0.6443	1.4749	0.2072	0.5024	0.45	-0.04	0.4468	0.3519	0.203	-0.8298	0.1403	0.556	0	1.9134	-0.2019	-0.2421	2.5664	0.1307	1.9808	79.8929	36.2798	85.6745
18	1.6415	-0.328	-0.6085	0.822	-0.2957	0.314	-0.635	-0.3587	0.2811	0.6177	0.0434	-0.1219	-0.3283	0.6945	0.0014	1.8321	0.0339	-0.484	2.6186	0.0029	2.0981	89.9525	33.3368	78.7389
19	0.4497	-0.536	0.538	0.4409	-0.5571	0.5517	-0.4045	0.4144	-0.2126	-0.9961	0.0302	-0.1262	-0.0885	0.9708	0.0006	1.823	-0.0865	-0.0261	1.735	-0.0799	1.6491	58.3818	45.7743	77.1788
20	0.3326	0.2073	-0.1088	0.3716	0.0815	0.0576	-0.1303	-1.084	-0.7791	0.5572	0.7203	-0.1833	-0.524	0.9784	-0.0002	1.8919	-0.1388	-0.1069	2.5646	-0.0324	1.4234	47.0301	41.9211	97.9576
21	0.7268	-0.6228	0.2042	0.2719	-0.1372	0.1979	0.3822	-0.5217	-0.0332	0.5469	-0.0541	-0.1749	0.4417	-0.1313	-0.0001	1.7118	-0.1628	-0.0785	2.2852	0.1454	1.6282	55.0158	41.4138	86.4861
22	0.9268	-0.3221	0.3833	0.0079	0.1274	0.7535	0.6267	1.0128	0.2062	-0.1416	0.1605	0.2431	-0.5538	-1.7352	0.0017	1.4979	0.264	0.3209	1.6245	0.2667	1.9206	-2.5348	44.2373	69.8748
23	0.5216	-0.0174	-1.1919	1.359	1.7028	3.4666	0.0584	-0.3885	-0.4982	0.6958	-0.1949	-0.3725	0.086	0.5765	-0.0001	1.3463	0.0149	0.0473	1.4638	0.1283	1.479	10.1565	33.2862	76.4112
24	0.9211	1.6478	0.45	2.2624	1.3276	1.6977	0.3052	-0.0911	0.1713	0.2125	0.2056	-0.3335	-0.16	0.3342	0	1.2266	-0.1582	0.2067	1.2789	-0.2036	1.5495	19.0053	56.6534	82.1548
25	1.5399	1.2982	0.939	1.2736	-0.3806	1.1851	0.3428	-0.2906	0.0674	0.8698	-0.5943	-0.4959	0.1551	0.3365	-0.0001	1.6844	-0.0737	0.0775	1.986	0.2275	1.7927	18.4946	26.0114	89.8686
26	1.2808	0.2119	0.2033	0.148	-0.1002	0.0012	0.5166	-0.184	-0.9345	0.7066	-0.2282	-0.5788	0.2449	0.9673	0.002	1.4955	-0.3403	-0.0778	1.8538	0.2488	2.0217	38.4004	48.2045	75.4554
27	0.5991	-0.4538	0.8436	0.0561	-0.1678	1.223	-0.0152	-0.4638	1.4609	-0.0367	0.3333	-0.3944	0.1305	0.222	0.0007	1.5997	-0.1399	0.1264	1.8119	-0.0948	2.3293	27.6755	65.3907	62.4868
28	0.0168	-0.3008	0.1949	0.7034	-0.5763	0.2777	0.4676	0.7548	0.313	-0.7039	-0.0581	-0.9144	0.2829	-0.2891	0.0002	1.4603	-0.2147	0.2457	1.6437	-0.0809	1.6285	31.3223	53.7168	69.0826
29	0.686	0.1449	-0.6761	0.5232	-0.1012	0.5168	-0.7484	-0.2852	0.135	-0.2543	0.08	-0.8306	0.2517	0.2328	-0.0002	1.4263	-0.0617	-0.0066	1.5554	-0.0193	1.7286	73.3149	68.3041	29.2928
30	0.7023	-0.8623	-0.3497	1.4282	-0.177	0.5304	0.2184	-0.3742	-0.5224	0.7373	0.2542	0.9483	-0.946	-0.6598	0.0001	1.2809	-0.0739	0.048	1.4922	0.0824	1.4301	53.8233	57.1716	34.6481
31	0.0311	0.0952	0.1017	0.5482	0.4822	0.3556	0.9296	0.0079	-0.2178	-0.4959	-0.4772	0.2615	-0.4408	1.0618	0.0005	1.4342	0.1805	0.0378	1.4916	0.1106	1.574	62.658	69.8844	23.7127
32	-0.0755	-0.1278	-0.2697	0.2441	0.6307	0.3204	-0.0053	-0.7997	-0.0504	0.6336	-0.3972	0.3509	0.0225	-0.6944	0.0002	1.8889	-0.3741	0.0198	2.1598	-0.3356	1.6425	57.5686	73.8276	63.5801
33	1.0198	0.7353	-0.5387	0.9019	0.2198	1.5708	0.2821	-0.5675	0.7665	0.685	-0.2696	-0.3849	-1.0542	-0.0162	0.0003	1.6861	0.0536	0.1088	1.4692	-0.0229	1.6064	61.9973	74.4197	45.0059
34	0.6273	-0.1525	-0.2569	0.6894	0.408	0.4973	-0.3083	-0.3251	0.6375	-0.1982	-0.653	0.9407	-0.4262	-0.575	-0.0007	1.413	-0.3213	-0.1497	2.1647	0.117	1.9323	35.9691	58.5062	32.2295
35	0.214	0.0651	-0.0919	0.038	0.0343	0.56	0.8148	0.1733	0.4608	-0.6414	-0.5698	0.6422	0.0716	0.4818	0	1.4958	-0.0493	-0.0741	1.8478	0.1643	2.113	42.5224	62.4891	25.221
36	0.4663	0.2213	0.5628	-0.1189	0.0309	0.5916	0.2254	-1.1124	0.3592	1.0353	-0.0902	0.5729	-1.4656	-0.4138	-0.0006	1.8229	0.1522	0.0959	1.8016	0.0912	1.9585	42.5783	71.1953	35.6267
37	0.4953	0.0021	-0.5845	-0.0135	0.1145	0.5674	0.5	0.5662	-1.051	0.6394	-0.3598	0.5366	-0.4737	-0.435	-0.0021	1.4715	-0.4358	0.003	2.4287	-0.0846	1.4257	50.9244	56.306	61.9446
38	0.9677	0.8038	-0.6596	0.7302	-0.7007	0.406	0.5745	-0.6519	-0.205	0.6444	-0.7398	-0.7151	-0.4943	0.1946	-0.0008	1.7191	-0.3708	-0.0585	2.0133	-0.0164	1.6274	68.5299	59.6737	63.5933

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN 'A' AND (RESID 2 THROUGH 298 )
2	X-RAY DIFFRACTION	2	CHAIN 'A' AND (RESID 299 THROUGH 329 )
3	X-RAY DIFFRACTION	3	CHAIN 'A' AND (RESID 330 THROUGH 504 )
4	X-RAY DIFFRACTION	4	CHAIN 'B' AND (RESID 2 THROUGH 271 )
5	X-RAY DIFFRACTION	5	CHAIN 'B' AND (RESID 272 THROUGH 328 )
6	X-RAY DIFFRACTION	6	CHAIN 'B' AND (RESID 329 THROUGH 504 )
7	X-RAY DIFFRACTION	7	CHAIN 'C' AND (RESID 2 THROUGH 65 )
8	X-RAY DIFFRACTION	8	CHAIN 'C' AND (RESID 66 THROUGH 116 )
9	X-RAY DIFFRACTION	9	CHAIN 'C' AND (RESID 117 THROUGH 282 )
10	X-RAY DIFFRACTION	10	CHAIN 'C' AND (RESID 283 THROUGH 327 )
11	X-RAY DIFFRACTION	11	CHAIN 'C' AND (RESID 328 THROUGH 393 )
12	X-RAY DIFFRACTION	12	CHAIN 'C' AND (RESID 394 THROUGH 504 )
13	X-RAY DIFFRACTION	13	CHAIN 'D' AND (RESID 3 THROUGH 40 )
14	X-RAY DIFFRACTION	14	CHAIN 'D' AND (RESID 41 THROUGH 87 )
15	X-RAY DIFFRACTION	15	CHAIN 'D' AND (RESID 88 THROUGH 116 )
16	X-RAY DIFFRACTION	16	CHAIN 'D' AND (RESID 117 THROUGH 180 )
17	X-RAY DIFFRACTION	17	CHAIN 'D' AND (RESID 181 THROUGH 327 )
18	X-RAY DIFFRACTION	18	CHAIN 'D' AND (RESID 328 THROUGH 393 )
19	X-RAY DIFFRACTION	19	CHAIN 'D' AND (RESID 394 THROUGH 419 )
20	X-RAY DIFFRACTION	20	CHAIN 'D' AND (RESID 420 THROUGH 468 )
21	X-RAY DIFFRACTION	21	CHAIN 'D' AND (RESID 469 THROUGH 504 )
22	X-RAY DIFFRACTION	22	CHAIN 'E' AND (RESID 3 THROUGH 40 )
23	X-RAY DIFFRACTION	23	CHAIN 'E' AND (RESID 41 THROUGH 116 )
24	X-RAY DIFFRACTION	24	CHAIN 'E' AND (RESID 117 THROUGH 260 )
25	X-RAY DIFFRACTION	25	CHAIN 'E' AND (RESID 261 THROUGH 393 )
26	X-RAY DIFFRACTION	26	CHAIN 'E' AND (RESID 394 THROUGH 419 )
27	X-RAY DIFFRACTION	27	CHAIN 'E' AND (RESID 420 THROUGH 468 )
28	X-RAY DIFFRACTION	28	CHAIN 'E' AND (RESID 469 THROUGH 504 )
29	X-RAY DIFFRACTION	29	CHAIN 'F' AND (RESID 3 THROUGH 40 )
30	X-RAY DIFFRACTION	30	CHAIN 'F' AND (RESID 41 THROUGH 90 )
31	X-RAY DIFFRACTION	31	CHAIN 'F' AND (RESID 91 THROUGH 116 )
32	X-RAY DIFFRACTION	32	CHAIN 'F' AND (RESID 117 THROUGH 180 )
33	X-RAY DIFFRACTION	33	CHAIN 'F' AND (RESID 181 THROUGH 260 )
34	X-RAY DIFFRACTION	34	CHAIN 'F' AND (RESID 261 THROUGH 327 )
35	X-RAY DIFFRACTION	35	CHAIN 'F' AND (RESID 328 THROUGH 354 )
36	X-RAY DIFFRACTION	36	CHAIN 'F' AND (RESID 355 THROUGH 393 )
37	X-RAY DIFFRACTION	37	CHAIN 'F' AND (RESID 394 THROUGH 419 )
38	X-RAY DIFFRACTION	38	CHAIN 'F' AND (RESID 420 THROUGH 504 )

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