PDB-4nq3: Crystal structure of cyanuic acid hydrolase from A. caulinodans

ID or keywords:

Entry

Database: PDB / ID: 4nq3

Title

Crystal structure of cyanuic acid hydrolase from A. caulinodans

Components

Cyanuric acid amidohydrolase

Keywords

HYDROLASE

Function / homology

Function and homology information

cyanuric acid amidohydrolase / cyanuric acid amidohydrolase activity / atrazine catabolic process / metal ion binding
Similarity search - Function

Biological species

Azorhizobium caulinodans (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.702 Å

Authors

Cho, S. / Shi, K. / Aihara, H.

Citation

Journal: Plos One / Year: 2014
Title: Cyanuric acid hydrolase from Azorhizobium caulinodans ORS 571: crystal structure and insights into a new class of Ser-Lys dyad proteins.
Authors: Cho, S. / Shi, K. / Seffernick, J.L. / Dodge, A.G. / Wackett, L.P. / Aihara, H.

History

Deposition	Nov 23, 2013	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 10, 2014	Provider: repository / Type: Initial release
Revision 1.1	Nov 6, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Structure summary Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details / pdbx_modification_feature / pdbx_struct_conn_angle / struct_conn / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _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_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _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	4nq3.cif.gz	270.7 KB	Display	PDBx/mmCIF format
PDB format	pdb4nq3.ent.gz	224.4 KB	Display	PDB format
PDBx/mmJSON format	4nq3.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/nq/4nq3 ftp://data.pdbj.org/pub/pdb/validation_reports/nq/4nq3	HTTPS FTP

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Related structure data

Similar structure data	6bun-d 4d4k-1 5ajw-1 2x8l-1 4bvt-1 3nep-1 6had-1 6bur-d 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

Deposited unit

A: Cyanuric acid amidohydrolase

B: Cyanuric acid amidohydrolase

hetero molecules

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

1

A: Cyanuric acid amidohydrolase

B: Cyanuric acid amidohydrolase

hetero molecules

A: Cyanuric acid amidohydrolase

B: Cyanuric acid amidohydrolase

hetero molecules

defined by author&software
150 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	237.866, 237.866, 105.313
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	98
Space group name H-M	I4₁22

Components on special symmetry positions

ID	Model	Components
1	1	A-554- HOH

#1: Protein	Cyanuric acid amidohydrolase Mass: 36735.738 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Azorhizobium caulinodans (bacteria) / Strain: ATCC 43989 / DSM 5975 / ORS 571 / Gene: AZC_3892 / Production host: Escherichia coli (E. coli) / References: UniProt: A8IKD2
#2: Chemical	ChemComp-BR8 / BARBITURIC ACID Mass: 128.086 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₄H₄N₂O₃
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: SO₄
#4: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Mg
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 172 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 5.07 Å³/Da / Density % sol: 75.73 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, sitting drop Details: 1M MgSO4, Tris, pH 7.0 - 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K PH range: 7.0 - 7.5

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Data collection

Diffraction	Mean temperature: 97 K
Diffraction source	Source: SYNCHROTRON / Site: ALS / Beamline: 4.2.2 / Wavelength: 0.97864 Å
Detector	Type: NOIR-1 / Detector: CCD / Date: Jun 15, 2012
Radiation	Monochromator: Si 111 CHANNEL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97864 Å / Relative weight: 1
Reflection	Resolution: 2.7→50 Å / Num. all: 42770 / Num. obs: 42770 / % possible obs: 98.4 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 0
Reflection shell	Resolution: 2.7→2.75 Å / % possible all: 94.7

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Processing

Software

Name: PHENIX / Version: (phenix.refine: 1.8.4_1496) / Classification: refinement

Refinement

Method to determine structure:

SAD / Resolution: 2.702→40.794 Å / SU ML: 0.22 / σ(F): 1.33 / Phase error: 19.81 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.1913	3168	5.37 %	Random
R_work	0.1594	-	-	-
all	0.1611	39742	-	-
obs	0.1611	36574	74.64 %	-

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.702→40.794 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4953	0	80	172	5205

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.009	5096
X-RAY DIFFRACTION	f_angle_d	1.188	6906
X-RAY DIFFRACTION	f_dihedral_angle_d	12.823	1787
X-RAY DIFFRACTION	f_chiral_restr	0.045	795
X-RAY DIFFRACTION	f_plane_restr	0.005	901

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 (%)
2.7019-2.7422	0.257	11	0.2477	201	X-RAY DIFFRACTION	6
2.7422-2.7851	0.3352	25	0.2714	436	X-RAY DIFFRACTION	13
2.7851-2.8307	0.3512	49	0.2577	897	X-RAY DIFFRACTION	27
2.8307-2.8795	0.314	77	0.29	1332	X-RAY DIFFRACTION	41
2.8795-2.9319	0.2704	98	0.2554	1724	X-RAY DIFFRACTION	52
2.9319-2.9882	0.3044	107	0.2487	1890	X-RAY DIFFRACTION	58
2.9882-3.0492	0.3152	115	0.2418	2008	X-RAY DIFFRACTION	62
3.0492-3.1155	0.2412	133	0.2022	2351	X-RAY DIFFRACTION	72
3.1155-3.1879	0.2201	138	0.2006	2451	X-RAY DIFFRACTION	75
3.1879-3.2676	0.2262	151	0.1896	2592	X-RAY DIFFRACTION	80
3.2676-3.3559	0.2434	153	0.1849	2687	X-RAY DIFFRACTION	83
3.3559-3.4546	0.1924	167	0.1816	2807	X-RAY DIFFRACTION	86
3.4546-3.5661	0.1649	168	0.1683	2871	X-RAY DIFFRACTION	89
3.5661-3.6935	0.163	170	0.1599	3000	X-RAY DIFFRACTION	92
3.6935-3.8412	0.2368	167	0.1574	3065	X-RAY DIFFRACTION	93
3.8412-4.0159	0.1634	173	0.1419	3100	X-RAY DIFFRACTION	96
4.0159-4.2274	0.1938	175	0.1269	3153	X-RAY DIFFRACTION	97
4.2274-4.492	0.1482	185	0.1206	3182	X-RAY DIFFRACTION	98
4.492-4.8383	0.1505	181	0.1184	3176	X-RAY DIFFRACTION	98
4.8383-5.3243	0.1695	180	0.129	3199	X-RAY DIFFRACTION	99
5.3243-6.0925	0.213	180	0.151	3259	X-RAY DIFFRACTION	99
6.0925-7.6676	0.1607	183	0.1444	3246	X-RAY DIFFRACTION	100
7.6676-40.7983	0.157	182	0.1512	3247	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	5.1015	-3.4215	-4.7921	5.9871	2.9451	7.6451	-0.1232	0.4554	-0.558	-0.5131	-0.1401	0.3631	0.3955	-0.059	0.2859	0.3385	0.0102	-0.1083	0.4712	-0.0908	0.2261	152.1693	54.7587	35.1298
2	0.9353	0.9304	0.7166	2.9013	-0.451	1.2478	0.0745	0.1306	0.0972	0.3237	0.0334	0.2417	0.085	-0.2007	-0.0929	0.1949	0.0792	0.0433	0.2229	0.0082	0.1356	157.2659	67.7004	47.3287
3	5.3253	-1.8002	-2.0081	8.2908	-1.1622	5.1142	0.1643	-0.266	0.2846	0.3288	0.164	-0.6414	-0.1416	0.4918	-0.3326	0.2561	0.0721	-0.0104	0.1956	-0.1114	0.2164	167.2822	62.9014	47.5254
4	6.2499	-2.5985	4.9139	3.9364	-0.5443	4.8448	0.0841	0.7899	-0.1368	-0.4939	0.4606	-0.8047	0.8445	1.1993	-0.5549	0.4786	0.1912	0.026	0.5357	-0.0155	0.3178	169.2309	61.9666	39.6482
5	1.2135	-0.7096	-0.7472	1.0873	0.716	0.6279	-0.0223	-0.1595	0.1562	0.0326	0.1113	0.1822	-0.0361	-0.1511	-0.0329	0.1708	0.1306	0.0162	0.2689	0.0795	0.2182	151.7729	70.2731	43.7367
6	6.2751	5.6771	3.5666	5.2818	3.8949	5.0904	0.4605	1.1855	-2.1244	0.1773	0.3721	-0.9898	2.0224	0.28	-0.8214	0.6156	0.1146	-0.2092	0.4668	-0.1778	0.6661	157.2503	50.647	32.8308
7	3.755	2.0774	-0.023	5.6578	-0.6372	1.7098	0.1184	0.3141	-0.0905	-0.0825	-0.0039	-0.3544	0.1071	-0.0559	-0.1217	0.1805	0.0781	-0.0174	0.3602	0.0529	0.0437	161.885	72.6031	29.9463
8	0.4389	0.5383	0.0841	5.3331	3.5783	4.3157	-0.1092	0.1328	0.0087	-0.3517	-0.0096	-0.186	-0.0513	0.7026	0.1453	0.2204	0.0743	0.0207	0.418	0.1079	0.1283	162.9377	83.0584	23.9538
9	2.4319	2.5381	1.9019	6.3175	3.6609	5.8183	-0.1364	0.6323	0.0261	-0.8335	0.2353	-0.009	0.1278	0.0002	-0.0525	0.2948	0.1073	-0.0009	0.4741	0.0167	0.1232	159.9881	67.654	22.3823
10	4.4329	1.4332	2.1777	4.9267	1.2305	6.2664	-0.0051	0.6749	-0.166	-0.8524	0.0553	0.5039	0.1326	-0.5946	-0.05	0.3509	0.0541	-0.151	0.5162	0.0463	0.2496	150.4937	67.8243	24.505
11	5.749	4.6202	-2.1232	8.8546	-1.9656	3.5311	0.3759	0.0558	0.3128	0.1761	-0.4853	-0.6241	-0.6649	0.4937	0.2023	0.2952	0.0369	-0.0373	0.2649	0.1795	0.3172	167.6194	89.6914	37.5361
12	1.1065	1.553	-0.8104	3.7106	-2.8685	6.4955	-0.0919	0.4269	0.6628	-0.2157	-0.0723	0.0967	-0.5423	-0.0719	0.1698	0.3836	0.1451	-0.0189	0.3252	0.1587	0.4256	159.6965	93.0954	35.2907
13	3.7781	-2.0301	2.7134	4.9104	-1.525	2.2126	-0.1752	-0.4096	-0.0529	0.253	0.1213	0.0104	-0.0811	-0.1911	0.0577	0.1762	0.1026	-0.0221	0.2297	0.1055	0.1794	155.7518	85.5212	34.57
14	2.0057	-1.7157	2.8039	7.0408	-0.038	7.0068	-0.0431	0.5688	0.2185	-0.8759	-0.0303	0.0088	-0.0534	0.4425	0.0841	0.2637	0.0447	-0.0469	0.4993	0.0695	0.1556	154.617	78.5124	19.913
15	0.4691	0.0043	0.576	0.5355	-0.1124	0.7342	-0.0786	0.0867	0.1768	-0.2718	-0.0111	0.2611	-0.1347	-0.0744	0.1362	0.237	0.1383	-0.0591	0.401	0.1461	0.2347	153.9426	82.6361	27.6626
16	1.8872	-0.1345	0.2268	2.6364	-1.3642	0.7197	0.0271	0.2291	-0.1281	-0.5474	0.0797	0.4276	0.2005	-0.2826	-0.0847	0.2513	0.0089	-0.0863	0.486	-0.0485	0.1866	149.4094	63.8573	28.505
17	3.8534	-1.3424	1.036	5.3705	1.2491	2.3288	0.0459	0.2205	-0.217	-0.2507	0.096	1.0672	0.057	-0.8588	-0.1232	0.2034	0.0231	-0.0206	0.595	0.0449	0.3858	137.8404	69.6186	34.3325
18	3.0757	0.0981	2.8243	3.4376	-0.0028	2.5961	-0.0718	0.1912	0.4223	-0.1407	-0.1462	0.2879	-0.0545	0.0302	0.2056	0.3913	0.3026	0.0339	0.6356	0.1167	0.3875	135.9124	90.468	35.5893
19	2.4198	-0.352	-0.111	2.3349	0.4107	0.683	-0.0056	-0.0633	0.1575	-0.0119	-0.0307	0.2533	-0.1212	-0.2035	0.0523	0.1844	0.1856	0.0582	0.4081	0.0476	0.3222	142.0146	79.0811	42.7361
20	3.3747	-1.1817	0.7497	0.4375	-0.452	1.6781	0.0187	-0.2179	-0.1824	-0.1937	0.0387	0.5085	0.0732	-0.3863	-0.085	0.151	0.0599	-0.0706	0.5222	0.0513	0.2342	142.3012	70.7365	30.571
21	4.5204	-5.4721	-1.3861	7.1202	2.8611	4.5565	-0.3368	-0.6414	0.2499	0.2452	0.0964	0.9793	0.0887	-0.6135	0.2561	0.5377	0.398	0.004	1.3454	0.1592	1.1649	108.2314	91.8005	43.89
22	0.122	0.1582	0.0387	0.2641	-0.0124	0.0845	0.0283	0.102	0.0686	-0.0683	-0.0867	0.5121	-0.1024	-0.1662	0.0265	0.5764	0.5479	0.0718	0.7922	0.085	0.7898	124.6656	99.8248	48.0831
23	4.1903	-1.4668	-2.8785	2.5437	2.2196	3.2244	0.1701	0.2694	-0.0177	-0.302	-0.0931	-0.2753	0.1725	0.3227	-0.0998	0.6766	0.449	0.06	0.7062	-0.0243	1.0512	116.3372	108.4935	51.3577
24	2.7635	-0.1828	0.7046	2.5742	-0.1119	0.4501	-0.0715	-0.1539	0.2489	0.112	-0.0141	0.3304	-0.0972	-0.1353	0.0902	0.5257	0.4105	0.0808	0.6855	0.0742	0.6684	125.4267	94.3263	49.9571
25	1.0112	-0.5492	0.0225	0.7434	-0.0012	0.0004	-0.0659	-0.0019	0.2112	0.1085	-0.055	0.3692	-0.1393	-0.3299	0.1682	0.6115	0.4266	0.2581	1.0446	-0.0266	1.1247	115.5489	93.324	58.9389
26	5.1227	-1.7293	0.0387	2.3513	2.0258	3.3032	-0.4332	-0.5888	-0.3404	0.3866	-0.1775	0.3317	0.4916	-0.6424	0.613	1.0241	0.3509	0.4729	1.1281	-0.0487	0.8655	121.6636	87.203	73.6402
27	8.1867	-0.0445	-1.8147	2.2577	-1.478	3.102	0.0005	-0.5808	0.3173	0.2674	-0.1072	0.3069	0.0656	-0.0632	0.0907	0.7511	0.338	0.4162	1.2983	-0.0741	1.0579	112.2462	88.4652	66.6766
28	6.5732	1.4898	-1.3806	1.3366	-0.6183	1.555	-0.3924	-0.2343	-0.8092	0.0826	0.2907	-0.534	0.2793	0.1933	0.086	0.7712	0.4288	0.4048	1.7038	0.2054	1.5477	105.3952	84.3883	59.7143
29	8.0794	-2.7809	3.4509	7.5334	0.9208	4.4976	0.0292	0.1182	-0.6393	0.3179	0.0779	0.9606	0.0841	-1.0192	-0.0919	0.5624	0.3423	0.2231	1.4348	0.2097	1.1586	111.706	79.4193	56.3066
30	4.5465	0.1557	2.1603	0.0168	0.035	1.1579	-0.1373	-0.1928	0.5112	0.0118	-0.0509	0.131	-0.1318	-0.158	0.1898	0.8283	0.4883	0.1272	0.7825	0.0146	0.7537	130.1289	94.3766	64.9135
31	1.1271	-1.2965	-2.584	4.3873	6.2786	9.8679	-0.1423	-0.3968	0.3128	0.3737	0.0389	0.4413	-0.5112	-0.745	0.098	1.1448	0.4918	0.3233	0.9202	-0.0085	0.9726	135.1904	98.6145	77.4154
32	5.5182	-2.7207	-0.8164	2.5687	1.9337	2.6629	-0.0281	-0.0541	0.2488	0.197	0.0884	-0.1088	0.1082	0.0847	-0.0803	0.9077	0.4409	0.1323	0.6199	0.0689	0.5592	136.2319	89.1813	69.6444
33	0.0971	-0.2151	0.0973	0.5809	0.1254	1.2093	-0.1344	-0.0693	-0.3083	0.2799	-0.0606	0.6002	-0.0286	-0.6267	0.2301	0.568	0.3198	0.2697	0.8878	0.0462	0.7431	122.8767	83.2628	66.264
34	6.1318	1.0813	5.9351	0.2022	1.1204	6.2123	0.0022	-0.4392	0.1096	0.2886	-0.1903	0.3622	0.285	-0.721	0.1926	0.8367	0.1382	0.5681	1.3364	0.1907	1.2128	118.7444	77.1163	72.5561
35	1.9042	0.4107	-0.7053	0.6443	0.4437	1.1969	-0.0709	-0.0555	-0.0252	0.1059	-0.1355	0.2305	0.061	-0.3347	0.167	0.5608	0.2728	0.322	0.8582	0.1496	0.7592	125.7325	81.1363	63.7806
36	4.9573	0.8903	-1.0222	1.5207	1.116	1.5539	0.2726	0.3926	0.3582	-0.1785	-0.3485	0.4418	-0.1649	-0.1683	0.0657	0.8509	0.4827	0.2714	0.9727	0.0264	0.8398	121.681	95.4379	63.5896
37	0.5335	0.0762	0.6825	0.0106	0.098	0.8727	-0.0234	-0.0142	-0.306	0.0207	-0.0957	0.5833	-0.0708	-0.3831	0.1254	0.4884	0.369	0.0977	1.3253	0.0804	1.3076	106.2896	84.9104	49.5873
38	3.4033	-2.1425	1.3726	1.8845	-0.3066	1.1324	-0.0403	0.6786	0.436	-0.1779	-0.2088	0.5475	-0.2558	-0.404	0.2729	0.2966	0.0885	0.0469	1.0317	0.1398	0.9875	120.4868	74.4955	44.903
39	1.2143	0.0305	-0.1742	0.5493	0.2598	0.152	-0.0248	0.1109	0.049	0.0265	-0.0362	0.2747	-0.0702	-0.2491	0.0621	0.2031	0.2143	0.1095	0.5957	0.0887	0.4415	134.4435	79.1338	50.4703
40	2.736	0.2991	-1.0376	1.2261	-0.1386	1.3766	0.211	0.3455	0.2231	-0.0321	0.0356	0.4481	-0.1981	-0.1825	-0.2361	0.3434	0.1938	0.2053	0.7974	0.044	0.768	122.0465	78.2232	52.4474

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(chain A and resid 1:8)
2	X-RAY DIFFRACTION	2	(chain A and resid 9:59)
3	X-RAY DIFFRACTION	3	(chain A and resid 60:66)
4	X-RAY DIFFRACTION	4	(chain A and resid 67:73)
5	X-RAY DIFFRACTION	5	(chain A and resid 74:93)
6	X-RAY DIFFRACTION	6	(chain A and resid 94:99)
7	X-RAY DIFFRACTION	7	(chain A and resid 104:123)
8	X-RAY DIFFRACTION	8	(chain A and resid 124:130)
9	X-RAY DIFFRACTION	9	(chain A and resid 131:145)
10	X-RAY DIFFRACTION	10	(chain A and resid 146:155)
11	X-RAY DIFFRACTION	11	(chain A and resid 156:173)
12	X-RAY DIFFRACTION	12	(chain A and resid 174:182)
13	X-RAY DIFFRACTION	13	(chain A and resid 183:188)
14	X-RAY DIFFRACTION	14	(chain A and resid 189:205)
15	X-RAY DIFFRACTION	15	(chain A and resid 206:233)
16	X-RAY DIFFRACTION	16	(chain A and resid 234:257)
17	X-RAY DIFFRACTION	17	(chain A and resid 258:289)
18	X-RAY DIFFRACTION	18	(chain A and resid 290:302)
19	X-RAY DIFFRACTION	19	(chain A and resid 303:335)
20	X-RAY DIFFRACTION	20	(chain A and resid 336:355)
21	X-RAY DIFFRACTION	21	(chain B and resid 1:8)
22	X-RAY DIFFRACTION	22	(chain B and resid 9:60)
23	X-RAY DIFFRACTION	23	(chain B and resid 61:70)
24	X-RAY DIFFRACTION	24	(chain B and resid 71:90)
25	X-RAY DIFFRACTION	25	(chain B and resid 91:123)
26	X-RAY DIFFRACTION	26	(chain B and resid 124:130)
27	X-RAY DIFFRACTION	27	(chain B and resid 131:138)
28	X-RAY DIFFRACTION	28	(chain B and resid 139:146)
29	X-RAY DIFFRACTION	29	(chain B and resid 147:153)
30	X-RAY DIFFRACTION	30	(chain B and resid 154:163)
31	X-RAY DIFFRACTION	31	(chain B and resid 164:173)
32	X-RAY DIFFRACTION	32	(chain B and resid 174:184)
33	X-RAY DIFFRACTION	33	(chain B and resid 185:198)
34	X-RAY DIFFRACTION	34	(chain B and resid 199:210)
35	X-RAY DIFFRACTION	35	(chain B and resid 211:230)
36	X-RAY DIFFRACTION	36	(chain B and resid 231:236)
37	X-RAY DIFFRACTION	37	(chain B and resid 237:249)
38	X-RAY DIFFRACTION	38	(chain B and resid 250:278)
39	X-RAY DIFFRACTION	39	(chain B and resid 279:333)
40	X-RAY DIFFRACTION	40	(chain B and resid 334:354)

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