PDB-4ubt: Structure of the C93S variant of the 3-ketoacyl-CoA thiolase FadA...

ID or keywords:

Entry

Database: PDB / ID: 4ubt

Title

Structure of the C93S variant of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis in complex with a steroid and CoA.

Components

Acetyl-CoA acetyltransferase FadA5

Keywords

TRANSFERASE / degradative thiolase / steroid-complex

Function / homology

Function and homology information

acetyl-CoA C-acyltransferase /

acetyl-CoA C-acyltransferase activity / phenylacetate catabolic process / cholesterol catabolic process / fatty acid beta-oxidation / identical protein binding
Similarity search - Function

Biological species

Mycobacterium tuberculosis (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.7 Å

Authors

Schaefer, C.M. / Kisker, C.

Funding support

Germany,

United States, 8items

Organization	Grant number	Country
German Research Foundation	SFB 630	Germany
German Research Foundation	FZ82	Germany
National Institutes of Health	AI092455	United States
National Institutes of Health	AI085349	United States
National Institutes of Health	AI065251	United States
National Institutes of Health	HL53306	United States
National Institutes of Health	RR021008	United States
NSF	BIO1039771	United States

Citation

Journal: Structure / Year: 2015
Title: FadA5 a Thiolase from Mycobacterium tuberculosis: A Steroid-Binding Pocket Reveals the Potential for Drug Development against Tuberculosis.
Authors: Schaefer, C.M. / Lu, R. / Nesbitt, N.M. / Schiebel, J. / Sampson, N.S. / Kisker, C.

History

Deposition	Aug 13, 2014	Deposition site: RCSB / Processing site: PDBE
Revision 1.0	Dec 17, 2014	Provider: repository / Type: Initial release
Revision 1.1	Jan 14, 2015	Group: Database references
Revision 2.0	Dec 20, 2023	Group: Advisory / Atomic model ...Advisory / Atomic model / Author supporting evidence / Data collection / Database references / Derived calculations / Refinement description Category: atom_site / chem_comp_atom ...atom_site / chem_comp_atom / chem_comp_bond / database_2 / pdbx_audit_support / pdbx_distant_solvent_atoms / pdbx_initial_refinement_model / pdbx_nonpoly_scheme / pdbx_validate_close_contact / pdbx_validate_symm_contact / struct_site_gen Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.occupancy / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_audit_support.funding_organization / _pdbx_distant_solvent_atoms.auth_seq_id / _pdbx_nonpoly_scheme.auth_seq_num / _pdbx_validate_close_contact.auth_seq_id_1 / _pdbx_validate_close_contact.auth_seq_id_2 / _pdbx_validate_symm_contact.auth_seq_id_1 / _pdbx_validate_symm_contact.auth_seq_id_2 / _struct_site_gen.auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4ubt.cif.gz	629.1 KB	Display	PDBx/mmCIF format
PDB format	pdb4ubt.ent.gz	520.7 KB	Display	PDB format
PDBx/mmJSON format	4ubt.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/ub/4ubt ftp://data.pdbj.org/pub/pdb/validation_reports/ub/4ubt	HTTPS FTP

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Related structure data

Related structure data	4ubuC 4ubvSC 4ubwC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	4ubu-1 4ubu-4 4ubv-d 4ubu-2 4ubu-3 4ubu-5 4h6d-4 4ubw-d 4h6d-1 4h67-4 Search similar-shape structures by Omokage search (details) 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

Related structure data

4ubuC

4ubvSC

4ubwC

S: Starting model for refinement

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#216 - Dec 2017 Biodegradable Plastic similarity (9) #90 - Jun 2007 Fatty Acid Synthase similarity (1) #146 - Feb 2012 Aminoglycoside Antibiotics similarity (1) #93 - Sep 2007 Citrate Synthase similarity (1) #154 - Oct 2012 Citric Acid Cycle similarity (1) #39 - Mar 2003 lac Repressor similarity (1)

Deposited unit

A: Acetyl-CoA acetyltransferase FadA5

B: Acetyl-CoA acetyltransferase FadA5

C: Acetyl-CoA acetyltransferase FadA5

D: Acetyl-CoA acetyltransferase FadA5

hetero molecules

174 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Acetyl-CoA acetyltransferase FadA5

B: Acetyl-CoA acetyltransferase FadA5

hetero molecules

defined by author&software
87.4 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Acetyl-CoA acetyltransferase FadA5

hetero molecules

D: Acetyl-CoA acetyltransferase FadA5

hetero molecules

defined by author&software
87 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

D: Acetyl-CoA acetyltransferase FadA5

hetero molecules

C: Acetyl-CoA acetyltransferase FadA5

hetero molecules

defined by author&software
87 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	76.660, 100.180, 107.950
Angle α, β, γ (deg.)	90.00, 99.90, 90.00
Int Tables number	4
Space group name H-M	P12₁1

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Protein , 1 types, 4 molecules ABCD

#1: Protein	Acetyl-CoA acetyltransferase FadA5 / Probable acetyl-CoA acetyltransferase FadA5 (Acetoacetyl-CoA thiolase) Mass: 42330.656 Da / Num. of mol.: 4 / Mutation: C93S Source method: isolated from a genetically manipulated source Details: C93S variant of FadA5 in complex with a steroid-CoA Source: (gene. exp.) Mycobacterium tuberculosis (bacteria) / Strain: ATCC 25618 / H37Rv / Gene: fadA5, Rv3546, P425_03688, RVBD_3546 / Plasmid: pSD31 Production host: Mycobacterium smegmatis str. MC2 155 (bacteria) References: UniProt: I6XHI4, acetyl-CoA C-acyltransferase

#1: Protein

Acetyl-CoA acetyltransferase FadA5 / Probable acetyl-CoA acetyltransferase FadA5 (Acetoacetyl-CoA thiolase)

Mass: 42330.656 Da / Num. of mol.: 4 / Mutation: C93S
Source method: isolated from a genetically manipulated source
Details: C93S variant of FadA5 in complex with a steroid-CoA
Source: (gene. exp.)

Mycobacterium tuberculosis (bacteria) / Strain: ATCC 25618 / H37Rv / Gene: fadA5, Rv3546, P425_03688, RVBD_3546 / Plasmid: pSD31
Production host:

Mycobacterium smegmatis str. MC2 155 (bacteria)
References: UniProt: I6XHI4,

acetyl-CoA C-acyltransferase

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Non-polymers , 7 types, 1185 molecules

#2: Chemical	ChemComp-COA / COENZYME A / Coenzyme A Mass: 767.534 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂₁H₃₆N₇O₁₆P₃S
#3: Chemical	ChemComp-3G6 / (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name) Mass: 344.488 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₂₂H₃₂O₃
#4: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol Mass: 92.094 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C₃H₈O₃
#5: Chemical	ChemComp-CL / CHLORIDE ION / Chloride Mass: 35.453 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: Cl
#6: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER / Diethylene glycol Mass: 106.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#7: Chemical	ChemComp-NA / SODIUM ION Mass: 22.990 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Na
#8: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 1161 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

Experiment	Method: X-RAY DIFFRACTION

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Sample preparation

Crystal	Density Matthews: 2.41 Å³/Da / Density % sol: 49 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.7 / Details: 0.1 M Mes, 23% PEG4000

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: BESSY / Beamline: 14.1 / Wavelength: 0.91842 Å
Detector	Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 12, 2013
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.91842 Å / Relative weight: 1
Reflection	Resolution: 1.7→47.49 Å / Num. obs: 175728 / % possible obs: 99.6 % / Redundancy: 6 % / R_merge(I) obs: 0.075 / Net I/σ(I): 12.2
Reflection shell	Resolution: 1.7→1.79 Å / Redundancy: 6 % / Mean I/σ(I) obs: 2.7 / % possible all: 99.6

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Processing

Software

Name	Version	Classification
PHENIX	(phenix.refine: 1.8_1069)	refinement
XDS		data reduction
SCALA		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4ubv

4ubv

Resolution: 1.7→37.684 Å / SU ML: 0.15 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 17.08 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.1737	8795	5.01 %
R_work	0.1446	-	-
obs	0.1461	175672	99.67 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 1.7→37.684 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11525	0	315	1161	13001

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.007	12558
X-RAY DIFFRACTION	f_angle_d	1.096	17149
X-RAY DIFFRACTION	f_dihedral_angle_d	15.231	4736
X-RAY DIFFRACTION	f_chiral_restr	0.077	1938
X-RAY DIFFRACTION	f_plane_restr	0.005	2266

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 (%)
1.7-1.7193	0.276	287	0.2324	5487	X-RAY DIFFRACTION	100
1.7193-1.7395	0.2978	273	0.227	5611	X-RAY DIFFRACTION	100
1.7395-1.7608	0.2487	321	0.2172	5537	X-RAY DIFFRACTION	100
1.7608-1.783	0.2528	248	0.2002	5552	X-RAY DIFFRACTION	99
1.783-1.8065	0.2312	298	0.1966	5519	X-RAY DIFFRACTION	100
1.8065-1.8313	0.217	311	0.1856	5537	X-RAY DIFFRACTION	99
1.8313-1.8574	0.1954	286	0.1745	5425	X-RAY DIFFRACTION	98
1.8574-1.8851	0.1847	273	0.1662	5523	X-RAY DIFFRACTION	99
1.8851-1.9146	0.2072	284	0.16	5606	X-RAY DIFFRACTION	100
1.9146-1.946	0.2034	281	0.16	5532	X-RAY DIFFRACTION	100
1.946-1.9795	0.2096	279	0.1558	5577	X-RAY DIFFRACTION	100
1.9795-2.0155	0.1892	289	0.149	5597	X-RAY DIFFRACTION	100
2.0155-2.0543	0.2075	304	0.149	5522	X-RAY DIFFRACTION	100
2.0543-2.0962	0.1794	333	0.1442	5545	X-RAY DIFFRACTION	100
2.0962-2.1418	0.2002	273	0.1441	5583	X-RAY DIFFRACTION	100
2.1418-2.1916	0.1705	292	0.141	5583	X-RAY DIFFRACTION	100
2.1916-2.2464	0.1781	299	0.1379	5522	X-RAY DIFFRACTION	100
2.2464-2.3071	0.1688	280	0.1415	5553	X-RAY DIFFRACTION	100
2.3071-2.375	0.1888	289	0.1427	5558	X-RAY DIFFRACTION	99
2.375-2.4517	0.171	318	0.1396	5519	X-RAY DIFFRACTION	100
2.4517-2.5393	0.1804	288	0.1433	5583	X-RAY DIFFRACTION	100
2.5393-2.6409	0.1798	318	0.1409	5580	X-RAY DIFFRACTION	100
2.6409-2.7611	0.1696	289	0.1377	5559	X-RAY DIFFRACTION	100
2.7611-2.9066	0.1737	289	0.1403	5588	X-RAY DIFFRACTION	100
2.9066-3.0886	0.1845	288	0.1509	5585	X-RAY DIFFRACTION	100
3.0886-3.327	0.1715	305	0.1425	5606	X-RAY DIFFRACTION	100
3.327-3.6615	0.1581	333	0.1323	5526	X-RAY DIFFRACTION	99
3.6615-4.1908	0.13	291	0.1221	5615	X-RAY DIFFRACTION	100
4.1908-5.2776	0.1451	275	0.1209	5643	X-RAY DIFFRACTION	100
5.2776-37.6936	0.155	301	0.1524	5704	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	1.5611	0.7756	-0.2707	0.4573	0.1948	1.712	0.1212	-0.1256	-0.1117	-0.0169	0.0369	-0.2628	0.0665	0.2713	-0.1431	0.1531	-0.0769	-0.0728	0.228	-0.0488	0.2471	4.2765	17.321	36.7032
2	0.864	0.0286	-0.1422	1.9366	0.0656	1.4649	0.0329	-0.0579	0.0611	-0.1128	0.0689	-0.3039	-0.1591	0.2815	-0.0364	0.1285	-0.0701	-0.0005	0.1992	-0.0139	0.1976	1.7288	16.6642	28.6853
3	1.9526	1.4079	1.98	3.8421	4.2132	7.8195	-0.0661	0.1092	0.1788	-0.2225	-0.2343	0.4573	-0.2657	-0.4534	0.3253	0.1233	0.0027	-0.0316	0.217	-0.0072	0.2468	-25.7181	17.5148	39.2469
4	3.6797	1.1734	-0.3881	0.6677	-0.0974	0.3361	0.3584	-0.4826	0.3119	0.1871	-0.1233	-0.0881	-0.447	0.3176	-0.2131	0.3304	-0.1416	-0.0001	0.2843	-0.0726	0.2955	-2.0095	33.2475	48.0764
5	3.1083	1.6064	-1.506	0.9243	-0.7121	2.0633	0.1551	0.315	0.4499	0.0105	0.1539	0.2289	-0.6217	0.0691	-0.3126	0.3833	-0.0998	-0.0027	0.2688	0.0045	0.4088	-1.2329	40.374	31.2885
6	1.3938	0.0456	-0.3048	1.1507	0.3846	1.1278	0.0558	-0.2033	0.1323	0.24	0.0266	-0.1631	-0.1022	0.2562	-0.0396	0.1737	-0.0623	-0.0523	0.2376	-0.0245	0.1664	-4.8228	19.16	47.6134
7	2.6788	-0.2912	0.4983	2.603	-0.1954	2.7631	-0.1799	0.0645	-0.0572	-0.0869	0.0734	-0.0897	0.038	-0.0442	0.0917	0.1495	-0.0693	0.0116	0.0986	-0.0009	0.1235	-13.9203	-3.9056	22.8168
8	1.8766	0.2032	0.0381	1.7315	0.2039	1.8808	-0.0492	-0.0183	-0.0522	-0.0305	0.0095	-0.0101	0.1156	-0.0596	0.0307	0.1237	-0.0338	-0.0246	0.1347	0.006	0.1135	-13.3264	2.3818	30.4248
9	1.1579	0.2493	-0.3654	1.9413	1.2271	1.931	-0.0513	0.2446	0.146	-0.8159	0.1602	-0.2111	-0.4614	0.1277	-0.1564	0.4629	-0.1189	0.1246	0.3293	0.0293	0.3026	2.1569	14.6535	7.4865
10	2.3555	0.5522	-2.1466	1.0305	0.0215	3.2948	-0.1174	0.5133	-0.0881	-0.4481	0.0915	0.006	-0.0038	-0.3856	0.0446	0.3557	-0.1009	-0.0089	0.2857	-0.0348	0.1994	-15.962	-8.7592	9.9012
11	2.6415	1.1479	-1.6875	1.8598	-0.7613	3.4243	-0.0477	0.6244	0.1362	-0.5104	0.1671	0.2069	0.0409	-0.3664	-0.0857	0.3998	-0.0942	-0.0278	0.3526	-0.0091	0.1947	-15.4172	-4.1458	3.6012
12	1.3081	0.0927	-0.3104	1.5659	0.0477	1.6608	-0.1	0.0943	-0.2036	-0.2214	0.0971	-0.3448	0.2069	0.1781	0.0231	0.1741	-0.0113	0.0458	0.1713	-0.0235	0.2241	0.0364	-6.4698	19.4982
13	5.3487	-1.7644	1.9281	3.2341	-1.2314	2.0038	-0.1738	-0.0676	-0.2621	-0.0725	0.197	-0.143	-0.104	0.0351	0.0103	0.158	-0.0856	0.0359	0.1142	-0.0398	0.1455	-32.4501	-26.9061	22.4434
14	2.6032	0.0113	-0.4487	0.995	-0.4318	1.6524	-0.0485	-0.0208	-0.0967	-0.0485	0.0332	-0.1417	-0.07	0.1134	0.0171	0.1528	-0.0574	0.0122	0.1417	-0.0365	0.1611	-38.3799	-31.1722	29.6293
15	1.8603	-0.595	-0.248	0.3728	0.6166	3.4347	-0.2315	0.0908	-0.9646	-0.3979	0.3865	-0.2317	0.5281	0.0896	0.1799	0.5615	-0.215	0.255	0.2536	-0.3889	0.4934	-37.3793	-54.2209	10.9079
16	0.3471	0.5907	-0.2484	1.7787	1.2946	4.3998	-0.1511	0.1806	-0.2967	-0.1601	0.1403	-0.567	0.1795	0.5549	-0.0967	0.2383	-0.0858	0.0974	0.3319	-0.0757	0.3977	-21.4161	-29.0552	14.1537
17	0.8281	0.2182	-0.4638	1.7119	-0.0095	1.4229	-0.2163	0.2652	-0.3083	-0.2388	0.0768	-0.4155	0.1393	0.1904	-0.0039	0.2474	-0.0932	0.1263	0.2423	-0.1039	0.3206	-26.2255	-33.3233	14.0216
18	1.346	0.5705	-0.4293	1.3505	-0.1264	1.0371	-0.2236	0.4686	-0.1045	-0.3737	0.2086	-0.0719	0.0808	-0.1583	0.0055	0.3128	-0.1419	0.0405	0.3246	-0.0669	0.1656	-40.5534	-30.8883	8.4197
19	4.5635	3.2738	1.8115	8.5962	2.3104	2.6932	0.0129	-0.1264	-0.2267	0.2875	-0.0056	0.2795	0.2845	0.1338	-0.0077	0.1336	0.0929	0.0236	0.1575	0.0606	0.1532	-37.475	-0.0843	74.0778
20	1.3502	-0.2979	-0.3878	1.8245	0.2261	1.0396	-0.1757	-0.2627	-0.3097	0.2233	0.1518	0.0958	0.2292	0.1614	-0.0056	0.2128	0.0862	0.0283	0.1889	0.0628	0.1916	-43.5908	3.659	80.8847
21	3.4992	-1.8346	1.2446	2.8898	-1.2791	3.0671	0.093	0.329	-0.1498	-0.4851	-0.0912	0.181	0.2997	-0.028	-0.0055	0.2474	-0.0094	-0.0545	0.1897	-0.0575	0.1827	-40.4403	4.8493	50.9683
22	8.513	5.5453	-3.7539	7.7169	-2.9654	3.2625	-0.5703	0.5239	-0.7433	-0.25	0.5116	0.6499	0.7416	-0.2559	0.0688	0.3854	0.077	0.0446	0.2704	0.0438	0.5751	-39.5299	-12.522	70.7133
23	2.9543	-0.9806	0.914	1.3615	-0.4169	3.4828	0.2292	0.2452	-0.6055	-0.6833	0.0221	0.241	0.958	0.0927	-0.2564	0.4315	-0.0065	-0.0775	0.1775	-0.0774	0.3409	-41.2586	-7.2693	54.8769
24	1.6541	-0.2089	0.843	1.8306	0.371	3.6313	-0.1519	-0.1209	-0.0386	0.1358	0.1392	0.0528	0.0677	0.3303	-0.0079	0.0949	0.0614	-0.0069	0.1854	0.0176	0.1592	-36.0424	5.4227	74.241
25	1.3841	-0.3207	-0.156	1.6759	0.2047	2.0312	-0.0151	-0.0151	0.0246	-0.0499	0.0411	-0.0186	-0.047	0.1722	-0.0211	0.1264	0.0078	-0.014	0.1452	-0.0042	0.127	-35.4892	13.1175	64.0353

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid -4 through 25 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 26 through 135 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 136 through 165 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 166 through 199 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 200 through 224 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 225 through 391 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 0 through 25 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 26 through 135 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 136 through 165 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 166 through 210 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 211 through 241 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 242 through 391 )
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 1 through 25 )
14	X-RAY DIFFRACTION	14	chain 'C' and (resid 26 through 135 )
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 136 through 165 )
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 166 through 210 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 211 through 265 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 266 through 391 )
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 1 through 25 )
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 26 through 150 )
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 151 through 186 )
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 187 through 210 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 211 through 241 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 242 through 265 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 266 through 391 )

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