PDB-7np0: Crystal structure of Mycobacterium tuberculosis ArgF in complex w...

ID or keywords:

Entry

Database: PDB / ID: 7np0

Title

Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-nitrophenyl)boronic acid.

Components

Ornithine carbamoyltransferase

Ornithine transcarbamylase

Keywords

TRANSFERASE / ArgF /

Ornithine Carbamoyltransferase

Function / homology

Function and homology information

ornithine carbamoyltransferase /

ornithine carbamoyltransferase activity / citrulline biosynthetic process / arginine biosynthetic process via ornithine / arginine biosynthetic process /

amino acid binding /

cytoplasm
Similarity search - Function

Biological species

Mycobacterium tuberculosis H37Rv (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 1.76 Å

Authors

Mendes, V. / Gupta, P. / Burgess, A. / Sebastian-Perez, V. / Cattermole, E. / Meghir, C. / Blundell, T.L.

Funding support

United States, 1items

Citation

Journal: Comput Struct Biotechnol J / Year: 2021
Title: A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Authors: Gupta, P. / Thomas, S.E. / Zaidan, S.A. / Pasillas, M.A. / Cory-Wright, J. / Sebastian-Perez, V. / Burgess, A. / Cattermole, E. / Meghir, C. / Abell, C. / Coyne, A.G. / Jacobs, W.R. / ...

History

Deposition	Feb 26, 2021	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jun 30, 2021	Provider: repository / Type: Initial release
Revision 1.1	Jan 31, 2024	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7np0.cif.gz	710.3 KB	Display	PDBx/mmCIF format
PDB format	pdb7np0.ent.gz	588.5 KB	Display	PDB format
PDBx/mmJSON format	7np0.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/np/7np0 ftp://data.pdbj.org/pub/pdb/validation_reports/np/7np0	HTTPS FTP

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Related structure data

Related structure data	7nlfC 7nlnC 7nloC 7nlpC 7nlqC 7nlrC 7nlsC 7nltC 7nluC 7nlwC 7nlxC 7nlyC 7nlzC 7nm0C 7nn1C 7nn4C 7nn7C 7nn8C 7nnbC 7nncC 7nnfC 7nniC 7nnqC 7nnrC 7nnvC 7nnwC 7nnyC 7nnzC 7norC 7nosC 7notC 7nouC 7novC 7nphC 7npjC 2p2gS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	7nnw-1 7nov-1 7nos-2 7nnv-2 7nnw-2 7nov-2 7nnf-2 7nnf-1 7nnv-1 7nnz-1 7np0-2 7nos-1 Search similar-shape structures by Omokage search (details) 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
Related items in Molecule of the Month	#215 - Nov 2017 Aspartate Transcarbamoylase similarity (7)

Deposited unit

A: Ornithine carbamoyltransferase

B: Ornithine carbamoyltransferase

C: Ornithine carbamoyltransferase

D: Ornithine carbamoyltransferase

E: Ornithine carbamoyltransferase

F: Ornithine carbamoyltransferase

hetero molecules

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

1

A: Ornithine carbamoyltransferase

B: Ornithine carbamoyltransferase

C: Ornithine carbamoyltransferase

hetero molecules

defined by author&software
Evidence: gel filtration
100 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

D: Ornithine carbamoyltransferase

E: Ornithine carbamoyltransferase

F: Ornithine carbamoyltransferase

hetero molecules

defined by author&software
100 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	92.035, 143.447, 97.526
Angle α, β, γ (deg.)	90.000, 117.540, 90.000
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Ornithine carbamoyltransferase / Ornithine transcarbamylase / OTCase Mass: 33208.324 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium tuberculosis H37Rv (bacteria) Gene: argF, Rv1656, MTCY06H11.21 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P9WIT9, ornithine carbamoyltransferase
#2: Chemical	ChemComp-PO4 / PHOSPHATE ION / Phosphate Mass: 94.971 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: PO₄
#3: Chemical	ChemComp-UKH / p-nitrophenylboronic acid / (4-nitrophenyl)boronic acid Mass: 166.927 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₆H₆BNO₄ / Feature type: SUBJECT OF INVESTIGATION
#4: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 1548 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	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: 2.86 Å³/Da / Density % sol: 57.07 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion Details: 150 mM ammonium dihydrogen phosphate 10 mM praseodymium acetate

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

ESRF

/ Beamline: ID30B / Wavelength: 0.97625 Å

Detector

Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 29, 2018

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 0.97625 Å / Relative weight: 1

Reflection

Resolution: 1.76→70.46 Å / Num. obs: 222029 / % possible obs: 99.7 % / Redundancy: 5.2 % / CC_1/2: 0.998 / R_merge(I) obs: 0.052 / R_pim(I) all: 0.025 / R_rim(I) all: 0.058 / Net I/σ(I): 16 / Num. measured all: 1149709 / Scaling rejects: 39

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. measured all	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	Net I/σ(I) obs	% possible all
1.76-1.85	5.2	0.564	167284	32413	0.83	0.272	0.628	2.7	99.8
5.55-70.46	4.9	0.047	34762	7132	0.997	0.023	0.053	36.2	99.3

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Phasing

Phasing

Method:

molecular replacement

Phasing MR

	Highest resolution	Lowest resolution
Rotation	7.98 Å	70.46 Å

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Processing

Software

Name	Version	Classification
PHENIX	1.18.2	refinement
Aimless	0.7.1	data scaling
PHASER	2.8.3	phasing
PDB_EXTRACT	3.27	data extraction
XDS		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2P2G

2p2g

Resolution: 1.76→70.46 Å / SU ML: 0.17 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 18.42 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.1816	11087	5 %
R_work	0.1618	210869	-
obs	0.1628	221956	99.66 %

Solvent computation

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

Displacement parameters

B_iso max: 97.91 Å² / B_iso mean: 37.1847 Å² / B_iso min: 18.06 Å²

Refinement step

Cycle: final / Resolution: 1.76→70.46 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13551	0	100	1550	15201
B_iso mean	-	-	45.32	45.39	-
Num. residues	-	-	-	-	1807

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / Total num. of bins used: 30

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
1.76-1.78	0.2703	405	0.2457	7013	7418	100
1.78-1.8	0.2647	331	0.2278	7068	7399	100
1.8-1.82	0.261	382	0.2181	7000	7382	100
1.82-1.84	0.2382	375	0.2093	7038	7413	100
1.84-1.87	0.2198	370	0.1933	6879	7249	98
1.87-1.89	0.1971	322	0.189	7036	7358	99
1.89-1.92	0.2238	336	0.2107	7059	7395	100
1.92-1.95	0.2431	379	0.2105	7004	7383	100
1.95-1.98	0.2335	396	0.1866	6989	7385	100
1.98-2.01	0.2012	332	0.1797	7084	7416	100
2.01-2.05	0.2039	360	0.1759	7061	7421	100
2.05-2.08	0.1934	364	0.1733	7033	7397	100
2.08-2.12	0.204	361	0.1666	7015	7376	100
2.12-2.17	0.2008	355	0.163	7060	7415	100
2.17-2.21	0.19	327	0.1635	7042	7369	100
2.21-2.26	0.21	349	0.1792	6939	7288	98
2.26-2.32	0.191	406	0.1658	6984	7390	100
2.32-2.38	0.1964	410	0.1675	6998	7408	100
2.38-2.45	0.1872	379	0.1642	6998	7377	100
2.45-2.53	0.1909	335	0.1631	7075	7410	100
2.53-2.62	0.1819	364	0.1613	7092	7456	100
2.62-2.73	0.1917	385	0.1662	7015	7400	100
2.73-2.85	0.1818	391	0.1697	7009	7400	100
2.85-3	0.1997	423	0.1635	6997	7420	100
3-3.19	0.1841	385	0.1582	7047	7432	100
3.19-3.44	0.1555	368	0.1548	7045	7413	100
3.44-3.78	0.1627	366	0.1508	7085	7451	100
3.78-4.33	0.1489	395	0.138	7027	7422	99
4.33-5.46	0.1547	394	0.1438	7041	7435	99
5.46-70.46	0.1897	342	0.1631	7136	7478	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	2.8641	-1.5348	-0.7405	2.4694	0.1265	1.9947	0.002	0.0884	-0.032	-0.01	-0.0093	0.0474	-0.0309	-0.0203	0.0141	0.1906	-0.0227	-0.0215	0.1963	-0.0286	0.2007	0.2775	-4.6496	-41.4939
2	3.2586	1.5758	0.134	4.6366	-1.6529	2.6157	-0.2948	0.8303	-0.1863	-1.0145	0.18	-0.2422	0.173	-0.0135	0.0835	0.3566	0.0274	0.0303	0.3774	-0.0467	0.2546	-5.2983	5.7912	-55.2341
3	1.9714	-1.5751	-0.0119	2.8348	0.4794	1.2775	0.13	0.1948	0.029	-0.371	-0.1148	-0.0895	-0.0784	0.0253	-0.0087	0.1993	-0.004	0.0054	0.267	-0.0174	0.2067	4.5776	-6.3483	-49.6189
4	2.1238	-0.0298	-0.4993	2.5848	0.76	5.3689	-0.0968	-0.1689	-0.1885	0.0771	0.1259	-0.1892	0.2258	0.4812	0.0253	0.1839	0.0166	0.0075	0.2976	-0.0106	0.2991	14.3454	-22.0148	-46.2941
5	1.631	0.6674	0.168	2.109	0.5076	1.667	-0.0566	0.0319	-0.0357	-0.1255	0.0955	-0.2733	0.0319	0.1893	-0.0493	0.1978	0.015	0.0327	0.29	-0.0142	0.2681	16.1498	-19.731	-51.6441
6	1.7927	0.4576	0.2539	2.942	-1.8709	5.3696	-0.1614	0.0525	-0.0441	-0.3679	0.3439	0.2679	0.2956	-0.5546	-0.0867	0.3291	-0.0596	0.0329	0.3445	-0.0208	0.3392	6.9753	-27.4312	-65.4464
7	3.3249	-0.311	-1.1071	4.3539	1.8762	2.8349	-0.2874	-0.027	-0.2423	0.149	0.009	0.1567	0.4206	0.0189	0.2675	0.2997	-0.0188	0.0542	0.2423	0.0123	0.2893	4.2941	-31.2409	-47.3743
8	1.7552	-0.5441	-0.7622	7.0089	-0.3732	2.4448	-0.0793	-0.1328	0.0187	0.2466	0.0831	-0.1232	-0.0651	0.001	-0.0105	0.1608	0.011	-0.0139	0.2653	-0.0142	0.2014	1.2106	-8.8983	-39.6868
9	4.176	0.7201	0.6646	2.2803	0.4566	1.5355	-0.0335	0.3705	-0.4326	-0.1823	0.0437	-0.0113	0.0887	0.077	0.035	0.197	-0.0126	0.002	0.2373	-0.0324	0.2678	-25.558	-16.9894	-42.8024
10	4.6649	0.9512	1.3449	1.9325	0.6132	2.0188	-0.0667	0.5763	-0.2204	-0.2087	-0.0397	0.4605	0.0547	-0.1851	0.0934	0.1897	-0.0193	-0.0163	0.3658	-0.0956	0.4472	-45.5524	-18.7759	-48.7568
11	0.9728	0.0985	-0.0935	2.638	-0.3522	1.9949	0.0051	0.0271	0.0475	0.0323	0.029	0.2414	-0.1803	-0.1525	-0.0193	0.2128	0.01	-0.0095	0.2564	-0.0244	0.2476	-23.9097	15.7144	-46.9588
12	2.3197	0.2208	-0.9942	1.1627	-1.0744	1.2265	-0.0879	0.3959	-0.3215	-0.3683	0.0849	0.1204	0.4341	-0.1121	0.0059	0.2938	-0.0125	-0.0537	0.2435	-0.0383	0.253	-22.2067	2.3527	-53.0287
13	1.0983	0.7921	-0.3553	2.9554	-0.9356	2.1157	-0.0469	0.148	-0.005	-0.2587	0.0887	0.266	0.0742	-0.2923	-0.0631	0.2598	0.0173	-0.0548	0.2824	-0.0248	0.2709	-27.7613	11.8725	-55.1498
14	3.0124	1.1147	0.6527	3.9168	0.7767	5.0511	-0.0706	0.1769	0.324	0.0529	0.0335	0.1332	-0.4964	0.0432	0.0684	0.3705	-0.0179	-0.0312	0.2482	0.0214	0.277	-16.5035	29.5624	-63.1253
15	2.585	-0.0015	-0.9736	2.0029	0.1256	3.578	0.0062	0.2814	0.1813	-0.2194	0.0131	0.1666	-0.3864	-0.2922	-0.0344	0.3845	0.0096	-0.0703	0.2836	0.0427	0.2535	-21.0187	27.9055	-66.8303
16	5.7171	3.8791	1.6003	6.4643	2.6777	3.1768	0.0431	0.2143	-0.4269	0.2912	0.2617	-0.3014	0.3889	0.494	-0.1824	0.4547	-0.0199	-0.0537	0.3716	0.0125	0.2889	-14.4353	16.8197	-79.6066
17	3.3175	0.1754	-0.524	2.0038	-1.1714	4.1139	-0.1296	0.1098	0.0016	-0.1287	0.0052	-0.2424	-0.0868	0.4843	0.0935	0.3351	-0.0236	-0.0071	0.3429	0.0123	0.2778	-4.4324	24.0327	-65.5913
18	5.5407	1.185	-2.2342	2.2411	-1.1183	3.8212	0.0361	-0.0491	0.2074	0.0726	0.0274	0.0535	-0.1415	-0.0538	-0.0627	0.2778	0.0089	-0.0484	0.2136	-0.0154	0.2333	-18.7265	16.9204	-48.0602
19	2.7285	-0.2683	0.1684	3.2013	-0.1048	1.4818	-0.0613	0.2579	0.2611	-0.099	0.0685	-0.1545	-0.2283	0.0366	0.029	0.2636	0.0392	0.0257	0.2746	0.0323	0.2525	-24.2595	29.2274	-25.9515
20	2.3957	-0.4359	1.1005	2.6378	0.9536	2.417	-0.0572	-0.162	-0.1933	0.2698	0.1568	-0.1238	0.0806	0.1046	-0.068	0.238	0.0262	0.013	0.2329	0.017	0.2118	-17.8765	15.7526	-20.5837
21	2.277	0.0973	-0.8108	2.0268	0.1652	1.1911	-0.0698	-0.5971	0.0137	0.7247	0.1243	-0.1224	0.0736	0.1441	-0.1385	0.4183	0.0927	-0.0077	0.3157	0.0028	0.24	-16.4137	17.1147	-11.2122
22	3.5283	-1.2258	0.4898	1.4765	-0.1114	1.2694	-0.1502	-0.3743	0.3306	0.3018	0.1964	-0.1213	-0.1328	0.0072	-0.0456	0.3285	0.0635	-0.0243	0.2593	-0.0315	0.2606	-18.0036	27.4968	-15.2412
23	3.8933	-0.5388	-0.3262	2.4861	0.3757	2.4244	-0.1708	-0.4225	0.3912	0.3413	0.2119	-0.041	-0.2824	-0.09	-0.0247	0.336	0.1237	0.0263	0.2755	0.0024	0.3035	-35.3675	37.8305	-13.4714
24	3.1905	-0.1868	-0.4444	2.0491	0.6236	2.4392	-0.1546	-0.4947	0.4526	0.4057	0.2287	-0.0177	-0.1825	-0.0818	-0.063	0.3887	0.1734	0.0151	0.3346	-0.0161	0.3836	-37.4934	39.6026	-10.9024
25	1.711	-0.5984	-0.6347	2.7261	0.4683	1.5251	-0.3569	-0.6072	-0.3214	0.6933	0.2987	0.3952	0.0667	0.0858	0.0185	0.3912	0.1511	0.1478	0.4553	0.1378	0.3995	-45.7139	26.3349	-9.2351
26	7.0068	0.4399	-1.9999	3.1288	-0.0927	2.8098	0.1887	0.1238	0.0133	0.1651	0.0451	0.2232	-0.2995	-0.1691	-0.2615	0.2413	0.0556	0.0071	0.1848	0.0198	0.1801	-26.6028	21.7624	-22.4372
27	1.2329	0.3989	-0.6487	2.4607	-0.6914	3.0945	-0.0802	0.1294	0.0234	-0.1608	0.0916	0.0427	0.2322	-0.2858	-0.0101	0.2301	-0.0131	0.0017	0.2504	0.0133	0.2259	-27.0809	-6.3815	-12.966
28	1.1816	-0.8098	-0.4704	3.0491	-0.7785	2.2454	0.045	-0.2278	0.1721	0.5103	0.1204	0.2738	-0.5972	-0.5272	-0.1592	0.4072	0.0571	0.0562	0.4127	0.0111	0.332	-33.153	6.9472	-5.5396
29	1.0085	-0.0208	-0.2582	1.5644	-1.3881	2.9729	-0.1219	0.1109	-0.1156	-0.1701	0.1017	0.0874	0.4815	-0.4429	0.0226	0.307	-0.1023	0.0371	0.2631	-0.0114	0.2492	-32.053	-17.394	0.3356
30	3.3502	0.3012	-0.2344	1.3921	-0.8508	3.6993	-0.1469	-0.1296	-0.2278	-0.1728	-0.0592	-0.1117	0.4832	0.2026	0.1578	0.3468	0.013	0.0691	0.1713	0.0353	0.2603	-19.9648	-22.3884	8.4751
31	3.4428	-1.5143	1.2692	3.2182	-1.9918	3.9256	-0.0612	0.0045	-0.0713	-0.3845	0.0722	-0.0625	0.3302	-0.3364	-0.0427	0.295	-0.0717	0.0609	0.2467	-0.0008	0.257	-24.9885	-10.534	-12.4813
32	2.7799	0.1099	0.2587	1.3216	-0.1826	2.4347	-0.0595	-0.0016	-0.1309	0.0443	0.0745	-0.053	-0.0315	-0.0213	-0.0292	0.2435	-0.0111	0.0063	0.1572	-0.0136	0.2218	0.8406	3.4053	-16.1248
33	2.5415	0.1024	-0.1973	4.2031	-3.0116	2.1991	-0.0777	-0.7225	0.0841	0.905	-0.0404	-0.302	-0.146	-0.1266	0.0367	0.5168	-0.0235	-0.0007	0.4027	-0.0026	0.3411	-9.2412	-4.3254	-2.6735
34	3.086	1.8326	-0.1817	2.4436	0.2343	1.699	0.0914	-0.2952	-0.0719	0.2961	-0.0911	-0.0899	0.0356	0.0674	0.013	0.2973	0.0094	-0.0209	0.2643	0.0059	0.2578	4.8599	3.5494	-7.8301
35	2.733	0.5333	1.1885	2.8627	0.7721	3.2724	-0.0194	-0.0897	-0.0715	0.1635	0.0588	-0.2312	-0.1849	0.1831	-0.0523	0.2889	-0.0669	-0.0507	0.2746	-0.0023	0.2876	19.772	14.5065	-4.8125
36	3.0679	0.8576	1.2156	2.8827	0.5884	1.9868	-0.2109	0.0182	0.1545	-0.0198	0.0037	-0.0153	-0.3015	-0.0239	0.1828	0.4423	-0.0408	-0.0618	0.2371	0.0016	0.3201	12.9796	27.3475	-9.9024
37	3.5662	1.5589	0.5373	6.9215	-0.5358	2.9644	-0.184	0.1214	-0.0624	0.0764	0.3148	-0.0611	-0.0354	-0.0645	-0.1216	0.1846	0.0036	-0.0007	0.2384	-0.0159	0.1821	3.2663	7.1468	-17.9655

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 0 through 64 )	A	0 - 64
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 65 through 94 )	A	65 - 94
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 95 through 143 )	A	95 - 143
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 144 through 159 )	A	144 - 159
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 160 through 231 )	A	160 - 231
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 232 through 245 )	A	232 - 245
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 246 through 284 )	A	246 - 284
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 285 through 307 )	A	285 - 307
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 1 through 143 )	B	1 - 143
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 144 through 307 )	B	144 - 307
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 1 through 50 )	C	1 - 50
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 51 through 83 )	C	51 - 83
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 84 through 143 )	C	84 - 143
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 144 through 159 )	C	144 - 159
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 160 through 231 )	C	160 - 231
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 232 through 245 )	C	232 - 245
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 246 through 284 )	C	246 - 284
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 285 through 307 )	C	285 - 307
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 1 through 28 )	D	1 - 28
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 29 through 50 )	D	29 - 50
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 51 through 83 )	D	51 - 83
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 84 through 143 )	D	84 - 143
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 144 through 187 )	D	144 - 187
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 188 through 245 )	D	188 - 245
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 246 through 284 )	D	246 - 284
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 285 through 307 )	D	285 - 307
27	X-RAY DIFFRACTION	27	chain 'E' and (resid 1 through 64 )	E	1 - 64
28	X-RAY DIFFRACTION	28	chain 'E' and (resid 65 through 114 )	E	65 - 114
29	X-RAY DIFFRACTION	29	chain 'E' and (resid 115 through 201 )	E	115 - 201
30	X-RAY DIFFRACTION	30	chain 'E' and (resid 202 through 284 )	E	202 - 284
31	X-RAY DIFFRACTION	31	chain 'E' and (resid 285 through 307 )	E	285 - 307
32	X-RAY DIFFRACTION	32	chain 'F' and (resid 0 through 64 )	F	0 - 64
33	X-RAY DIFFRACTION	33	chain 'F' and (resid 65 through 94 )	F	65 - 94
34	X-RAY DIFFRACTION	34	chain 'F' and (resid 95 through 143 )	F	95 - 143
35	X-RAY DIFFRACTION	35	chain 'F' and (resid 144 through 245 )	F	144 - 245
36	X-RAY DIFFRACTION	36	chain 'F' and (resid 246 through 284 )	F	246 - 284
37	X-RAY DIFFRACTION	37	chain 'F' and (resid 285 through 307 )	F	285 - 307

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