PDB-8ecm: Crystal Structure Analysis of Acetyl-CoA acetyltransferase from F...

ID or keywords:

Entry

Database: PDB / ID: 8ecm

Title

Crystal Structure Analysis of Acetyl-CoA acetyltransferase from Firmicutes bacterium

Components

Acetyl-CoA acetyltransferase

Keywords

TRANSFERASE / Acetyl-CoA acetyltransferase

Function / homology

Function and homology information

acyltransferase activity, transferring groups other than amino-acyl groups
Similarity search - Function

Biological species

Firmicutes bacterium (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 1.89 Å

Authors

Seo, H.S. / Dhe-Paganon, S.

Funding support

United States, 1items

Citation

Journal: Nat Med / Year: 2023
Title: Gut microbial metabolism of 5-ASA diminishes its clinical efficacy in inflammatory bowel disease.
Authors: Mehta, R.S. / Mayers, J.R. / Zhang, Y. / Bhosle, A. / Glasser, N.R. / Nguyen, L.H. / Ma, W. / Bae, S. / Branck, T. / Song, K. / Sebastian, L. / Pacheco, J.A. / Seo, H.S. / Clish, C. / Dhe- ...

History

Deposition	Sep 2, 2022	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 31, 2023	Provider: repository / Type: Initial release
Revision 1.1	Oct 25, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8ecm.cif.gz	1.2 MB	Display	PDBx/mmCIF format
PDB format	pdb8ecm.ent.gz		Display	PDB format
PDBx/mmJSON format	8ecm.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	8ecm_validation.pdf.gz	492.3 KB	Display	wwPDB validaton report
Full document	8ecm_full_validation.pdf.gz	516.2 KB	Display
Data in XML	8ecm_validation.xml.gz	121.5 KB	Display
Data in CIF	8ecm_validation.cif.gz	172.9 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ec/8ecm ftp://data.pdbj.org/pub/pdb/validation_reports/ec/8ecm	HTTPS FTP

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Related structure data

Related structure data	4xl2S S: Starting model for refinement
Similar structure data	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	#216 - Dec 2017 Biodegradable Plastic similarity (10) #90 - Jun 2007 Fatty Acid Synthase similarity (1)

Deposited unit

A: Acetyl-CoA acetyltransferase

B: Acetyl-CoA acetyltransferase

C: Acetyl-CoA acetyltransferase

D: Acetyl-CoA acetyltransferase

E: Acetyl-CoA acetyltransferase

F: Acetyl-CoA acetyltransferase

G: Acetyl-CoA acetyltransferase

H: Acetyl-CoA acetyltransferase

360 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Acetyl-CoA acetyltransferase

defined by author
Evidence: gel filtration
45 kDa, 1 polymers

2

B: Acetyl-CoA acetyltransferase

defined by author
45 kDa, 1 polymers

3

C: Acetyl-CoA acetyltransferase

defined by author
45 kDa, 1 polymers

4

D: Acetyl-CoA acetyltransferase

defined by author
45 kDa, 1 polymers

5

E: Acetyl-CoA acetyltransferase

defined by author
45 kDa, 1 polymers

6

F: Acetyl-CoA acetyltransferase

defined by author
45 kDa, 1 polymers

7

G: Acetyl-CoA acetyltransferase

defined by author
45 kDa, 1 polymers

8

H: Acetyl-CoA acetyltransferase

defined by author
45 kDa, 1 polymers

Unit cell

Length a, b, c (Å)	75.230, 81.460, 160.190
Angle α, β, γ (deg.)	95.610, 100.450, 108.270
Int Tables number	1
Space group name H-M	P1

#1: Protein	Acetyl-CoA acetyltransferase Mass: 44987.523 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Firmicutes bacterium (bacteria) / Gene: BN516_00284 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: R6CZ24
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1193 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.51 Å³/Da / Density % sol: 51.04 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 4.9 Details: 100 mM sodium acetate, pH 4.9, 55% MPD, 20 mM CaCl2

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 24-ID-E / Wavelength: 0.9792 Å

Detector

Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 14, 2022

Radiation

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

Radiation wavelength

Wavelength: 0.9792 Å / Relative weight: 1

Reflection

Resolution: 1.89→76.29 Å / Num. obs: 263888 / % possible obs: 94.1 % / Redundancy: 1.9 % / B_iso Wilson estimate: 39.07 Å² / R_pim(I) all: 0.07 / R_rim(I) all: 0.099 / Net I/σ(I): 7.1 / Num. measured all: 500388

Reflection shell

Diffraction-ID: 1 / Redundancy: 1.9 %

Resolution (Å)	Mean I/σ(I) obs	Num. measured all	Num. unique obs	R_pim(I) all	R_rim(I) all	% possible all
1.89-1.92	0.7	25354	13156	1.168	1.651	93.8
5.13-76.35	20.4	25094	13549	0.052	0.073	96.6

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
XDS		data reduction
xia2	3.9.0	data scaling
PHASER		phasing
PHENIX	1.20.1_4487	refinement
PDB_EXTRACT	3.27	data extraction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4XL2

4xl2

Resolution: 1.89→73.46 Å / SU ML: 0.29 / Cross valid method: THROUGHOUT / σ(F): 1.96 / Phase error: 26 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2086	13239	5.02 %
R_work	0.1757	250468	-
obs	0.1774	263707	94.02 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso max: 120.73 Å² / B_iso mean: 50.4955 Å² / B_iso min: 26.79 Å²

Refinement step

Cycle: final / Resolution: 1.89→73.46 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	24521	0	0	1193	25714
B_iso mean	-	-	-	48.76	-
Num. residues	-	-	-	-	3364

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 (%)
1.89-1.91	0.441	441	0.4	8292	8733	93
1.91-1.93	0.38	445	0.3694	8386	8831	94
1.93-1.96	0.3679	448	0.3446	8319	8767	94
1.96-1.98	0.3568	444	0.3256	8324	8768	94
1.98-2.01	0.3431	435	0.3116	8223	8658	93
2.01-2.04	0.3268	447	0.2981	8370	8817	94
2.04-2.07	0.3141	398	0.2789	8232	8630	93
2.07-2.1	0.3017	434	0.2584	8352	8786	93
2.1-2.13	0.2871	422	0.2457	8285	8707	93
2.13-2.16	0.2842	462	0.2391	8205	8667	93
2.16-2.2	0.2768	467	0.2282	8240	8707	92
2.2-2.24	0.2615	419	0.2154	8076	8495	91
2.24-2.28	0.2454	428	0.2053	7784	8212	88
2.28-2.33	0.2361	450	0.1994	7862	8312	89
2.33-2.38	0.2339	437	0.196	8489	8926	96
2.38-2.44	0.2567	464	0.1981	8540	9004	96
2.44-2.5	0.2457	425	0.1946	8553	8978	96
2.5-2.57	0.2445	469	0.1844	8421	8890	96
2.57-2.64	0.2165	465	0.1782	8464	8929	96
2.64-2.73	0.2401	430	0.1819	8488	8918	95
2.73-2.82	0.2234	424	0.1739	8519	8943	95
2.82-2.94	0.2125	417	0.1716	8410	8827	95
2.94-3.07	0.2216	403	0.1816	8406	8809	94
3.07-3.23	0.221	451	0.1719	8156	8607	92
3.23-3.43	0.1913	416	0.1594	8198	8614	91
3.43-3.7	0.1841	469	0.1489	8555	9024	97
3.7-4.07	0.1618	410	0.1375	8639	9049	97
4.07-4.66	0.145	478	0.1263	8567	9045	97
4.66-5.87	0.184	483	0.1597	8546	9029	96
5.87-73.46	0.1874	458	0.1673	8567	9025	97

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	1.3856	-0.5	-0.0319	1.5474	-0.129	0.9324	-0.0529	0.04	-0.1504	0.0583	-0.035	0.2518	0.0621	-0.2906	-0.0001	0.4819	-0.0236	0.0077	0.4416	-0.0149	0.4318	-40.6751	-8.466	15.142
2	0.2296	0.065	0.1652	0.395	0.2651	1.2381	-0.0892	0.14	0.0755	-0.1264	0.0578	0.0544	-0.2762	-0.0731	-0	0.5408	-0.0058	0.0001	0.3909	0.0124	0.3973	-28.2455	4.2903	7.7171
3	1.7587	0.6511	-0.2592	2.6081	1.1051	1.9591	0.0394	0.1576	0.383	-0.4201	-0.1639	0.3692	-0.6045	-0.3772	-0.0187	0.666	0.1087	-0.122	0.4967	0.0307	0.5422	-43.5579	9.4337	4.4253
4	0.3864	-0.0821	-0.1515	1.198	0.4814	1.0371	-0.0673	0.3838	0.1476	-0.5285	-0.0816	0.4528	-0.4053	-0.3104	-0.0004	0.7023	0.0593	-0.1488	0.6188	0.0075	0.5707	-45.4689	3.2627	-3.2129
5	0.6755	0.2031	0.2492	0.8777	-0.0683	0.6963	-0.136	0.2737	-0.113	-0.1754	0.1978	-0.2375	-0.1364	0.1622	0	0.54	-0.0845	0.058	0.4569	-0.0492	0.4448	-19.0375	-8.1701	0.2371
6	0.5188	0.2908	0.4736	0.4406	0.0778	0.4542	0.0239	0.0084	-0.2985	0.3081	-0.1458	0.2306	-0.164	-0.1647	-0.0008	0.5187	-0.0484	0.019	0.2867	0.0134	0.4086	-22.9734	6.8096	27.0773
7	1.0701	0.8302	0.5917	1.7155	0.7363	1.5954	0.1528	0.0525	-0.4339	0.3238	0.1023	-0.5602	0.219	0.1946	0.001	0.5541	0.0398	-0.1426	0.3813	-0.0331	0.6863	-10.6994	-18.4935	21.838
8	0.5561	0.3201	0.2321	0.6751	-0.1425	0.2494	-0.0332	0.2883	-0.257	-0.1387	0.1668	-0.1642	0.0272	0.1139	0	0.5679	-0.0964	0.0482	0.4788	-0.0725	0.4468	-20.6538	-19.0375	-3.8497
9	0.974	0.4333	0.2487	1.22	0.0269	0.8618	0.0925	0.2188	-0.3088	0.0523	0.1483	-0.4535	0.238	0.2305	0.0001	0.5299	0.0252	-0.0506	0.4209	-0.0867	0.6266	-16.0773	-26.0294	9.4568
10	1.1092	-0.2287	-0.5114	0.8685	-0.0627	1.2157	-0.0511	-0.119	0.278	-0.0256	-0.1083	0.1042	-0.1281	-0.1388	-0.0007	0.4773	0.0428	-0.0702	0.3491	0.0026	0.3829	-19.9351	39.1656	42.6013
11	0.744	0.2608	0.404	0.1932	0.7699	1.0441	0.071	-0.1609	-0.1578	0.1136	-0.1064	0.0324	0.1925	-0.2063	0	0.478	-0.0106	-0.0238	0.3557	0.0718	0.3438	-15.5333	23.7998	44.7561
12	1.8812	-0.0535	0.2452	1.3101	0.2236	0.6742	-0.0823	-0.2782	0.2555	-0.1758	-0.075	0.4062	0.0781	-0.8751	0.0001	0.5498	-0.0515	-0.0314	0.6321	-0.112	0.5109	-37.3549	31.5609	47.1431
13	1.9799	0.6725	0.5926	1.3127	0.5703	1.2906	0.1675	-0.6236	-0.0468	0.1298	-0.2969	0.195	0.2492	-0.3614	-0.0054	0.4889	-0.0856	0.0251	0.6037	0.0074	0.3396	-25.3234	28.557	59.0851
14	1.6838	0.1345	0.0728	0.7152	-0.445	1.2294	-0.0407	-0.1119	-0.325	0.1408	0.0534	-0.1862	0.1379	0.0976	0.0002	0.5053	0.0612	-0.0792	0.3335	0.1016	0.4216	2.7139	20.8375	48.8377
15	1.0183	0.4339	0.3796	0.9049	0.4147	0.725	-0.0085	0.0468	-0.1513	-0.0648	0.0598	-0.1896	0.0424	0.0838	-0.0001	0.4612	0.0309	0.0114	0.2897	0.0422	0.3675	-2.1583	26.9252	35.3532
16	1.3551	0.0399	0.4376	1.2621	0.6052	1.6748	0.0153	0.1216	-0.0869	-0.1692	0.1189	-0.308	-0.0082	0.1884	0.0004	0.469	-0.0094	0.02	0.3653	0.0203	0.4197	7.9777	30.4318	34.4934
17	1.3285	0.0375	-0.6661	1.839	0.5654	0.9657	-0.068	-0.085	-0.1477	0.1761	0.2854	-0.3238	0.0236	0.359	0.0002	0.4749	-0.0006	-0.0099	0.4151	0.0016	0.4273	14.3342	34.4193	40.4225
18	1.8547	-0.5321	-0.141	0.9611	-0.0704	0.7199	-0.0207	0.5974	0.4169	-0.2043	-0.0499	-0.0444	-0.0618	-0.0143	-0.0023	0.3668	0.0258	0.0296	0.5102	0.1608	0.3528	-32.1049	-8.9795	70.7538
19	1.1485	0.1963	-0.2019	0.9991	0.2935	0.1005	-0.0069	0.0571	0.0483	0.0473	-0.0401	-0.0313	-0.0385	0.0886	0	0.3236	0.0361	0.0018	0.3651	0.047	0.3209	-33.328	-16.7014	88.3482
20	2.3873	-0.0595	0.3375	0.8283	0.4701	1.5743	0.0295	0.237	-0.1364	0.0179	0.0081	-0.1511	0.0322	0.1979	-0.0003	0.3213	0.0578	0.0083	0.4255	0.0233	0.3552	-20.7715	-24.5718	79.6019
21	1.1419	-0.5567	0.3563	1.2707	0.2002	0.2125	0.1194	0.7979	-0.2268	-0.5018	0.0221	-0.0907	-0.167	0.0169	0.0016	0.4498	0.0026	0.0323	0.6526	-0.0557	0.4009	-25.7845	-28.5714	68.2877
22	1.8096	0.006	0.4338	1.6894	-0.7921	0.472	-0.0996	-0.0364	-0.0404	-0.0675	-0.0012	0.1652	-0.0264	-0.0104	-0.0002	0.3362	-0.0068	0.0661	0.4372	0.0104	0.3999	-55.2975	-20.3415	89.2199
23	1.598	0.3341	0.2782	-0.0188	0.2577	0.5892	0.0243	0.0481	0.2471	-0	-0.0895	0.1827	-0.0803	-0.0205	0	0.3414	0.0389	0.001	0.3801	0.0425	0.355	-44.3204	-10.5254	84.6336
24	2.4529	-0.14	0.4499	2.2972	0.4252	0.893	0.0295	-0.345	0.4546	0.1676	-0.26	0.3848	-0.2297	-0.3585	0.0003	0.4135	0.0749	0.0503	0.5792	-0.104	0.6077	-63.8265	-2.3574	91.117
25	2.3244	-0.0079	0.3131	1.3298	0.3638	1.3395	0.0137	0.2494	0.3861	-0.1434	-0.1708	0.3082	-0.182	-0.1256	-0.0003	0.3753	0.0807	-0.0472	0.5051	0.0249	0.5058	-60.0245	-8.28	75.3929
26	0.7366	-0.8034	0.3553	0.854	-0.1073	0.8871	0.3215	0.1302	-0.3275	0.2336	-0.2922	0.3334	0.3015	-0.4324	-0.0001	0.4815	-0.0117	-0.0319	0.6336	-0.0333	0.5312	-63.9	-17.9332	74.2826
27	1.1714	0.7632	0.8087	1.0999	0.4837	0.9321	0.1887	-0.2118	0.2271	0.2836	-0.2374	0.1036	0.1923	-0.0943	-0.0002	0.488	-0.0397	0.0676	0.4239	-0.0404	0.4377	-16.9606	14.8891	118.8797
28	2.0651	0.3045	0.6862	1.3283	0.2967	1.9257	-0.0521	0.3833	0.3505	-0.1418	-0.0084	0.0908	-0.0784	0.1344	-0	0.3937	-0.0163	0.02	0.5031	0.0536	0.5352	-13.4665	26.1952	99.0502
29	0.5054	0.4354	-0.1669	0.9013	0.1358	0.3309	0.2328	-0.2623	0.3337	0.1722	-0.2335	0.1912	0.0416	-0.0108	-0.0001	0.4692	-0.0925	0.0498	0.4581	-0.0593	0.4583	-8.2512	26.5691	125.9866
30	0.7696	0.3871	-0.0739	1.2078	-0.2269	1.0905	-0.0669	-0.0374	0.4531	0.1666	-0.063	0.1529	-0.1465	0.1572	-0.0001	0.3801	-0.016	-0.0015	0.4257	0.021	0.5874	-8.6251	33.3066	111.9035
31	0.506	-0.4592	-0.0574	0.9725	-0.6507	0.789	-0.0466	-0.4665	0.3986	0.2985	-0.2961	0.4999	0.0786	-0.5375	-0.001	0.5049	-0.0869	0.1375	0.8213	-0.3138	0.8004	-41.9032	23.9098	123.6168
32	1.6239	0.7053	0.9116	0.8849	0.7536	1.5789	0.2613	-0.49	0.2854	0.4961	-0.5026	0.2841	0.3648	-0.5728	-0.1972	0.59	-0.2179	0.1539	0.6501	-0.1117	0.4846	-32.3513	13.0745	122.6245
33	1.0093	-0.5743	-0.3605	3.7112	-0.1908	1.0934	0.3364	-0.7218	0.1227	0.0933	-0.3011	0.6335	0.6317	-0.8736	0.0332	0.8123	-0.4904	0.2232	1.1036	-0.2427	0.8323	-48.0018	7.6366	125.8361
34	1.7166	0.567	0.4805	0.622	0.4419	1.258	0.2222	-0.7836	0.1142	0.5396	-0.4514	0.2736	0.5904	-0.7239	-0.0944	0.9329	-0.4053	0.2359	1.0129	-0.2091	0.5891	-34.7662	13.7004	138.1542

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 3 through 81 )	A	3 - 81
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 82 through 173 )	A	82 - 173
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 174 through 311 )	A	174 - 311
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 312 through 421 )	A	312 - 421
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 2 through 119 )	B	2 - 119
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 120 through 143 )	B	120 - 143
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 144 through 277 )	B	144 - 277
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 278 through 311 )	B	278 - 311
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 312 through 421 )	B	312 - 421
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 2 through 66 )	C	2 - 66
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 67 through 173 )	C	67 - 173
12	X-RAY DIFFRACTION	12	chain 'C' and (resid 174 through 215 )	C	174 - 215
13	X-RAY DIFFRACTION	13	chain 'C' and (resid 216 through 422 )	C	216 - 422
14	X-RAY DIFFRACTION	14	chain 'D' and (resid 3 through 66 )	D	3 - 66
15	X-RAY DIFFRACTION	15	chain 'D' and (resid 67 through 193 )	D	67 - 193
16	X-RAY DIFFRACTION	16	chain 'D' and (resid 194 through 330 )	D	194 - 330
17	X-RAY DIFFRACTION	17	chain 'D' and (resid 331 through 425 )	D	331 - 425
18	X-RAY DIFFRACTION	18	chain 'E' and (resid 3 through 81 )	E	3 - 81
19	X-RAY DIFFRACTION	19	chain 'E' and (resid 82 through 173 )	E	82 - 173
20	X-RAY DIFFRACTION	20	chain 'E' and (resid 174 through 394 )	E	174 - 394
21	X-RAY DIFFRACTION	21	chain 'E' and (resid 395 through 423 )	E	395 - 423
22	X-RAY DIFFRACTION	22	chain 'F' and (resid 2 through 43 )	F	2 - 43
23	X-RAY DIFFRACTION	23	chain 'F' and (resid 44 through 173 )	F	44 - 173
24	X-RAY DIFFRACTION	24	chain 'F' and (resid 174 through 245 )	F	174 - 245
25	X-RAY DIFFRACTION	25	chain 'F' and (resid 246 through 394 )	F	246 - 394
26	X-RAY DIFFRACTION	26	chain 'F' and (resid 395 through 424 )	F	395 - 424
27	X-RAY DIFFRACTION	27	chain 'G' and (resid 2 through 143 )	G	2 - 143
28	X-RAY DIFFRACTION	28	chain 'G' and (resid 144 through 277 )	G	144 - 277
29	X-RAY DIFFRACTION	29	chain 'G' and (resid 278 through 311 )	G	278 - 311
30	X-RAY DIFFRACTION	30	chain 'G' and (resid 312 through 421 )	G	312 - 421
31	X-RAY DIFFRACTION	31	chain 'H' and (resid 4 through 43 )	H	4 - 43
32	X-RAY DIFFRACTION	32	chain 'H' and (resid 44 through 193 )	H	44 - 193
33	X-RAY DIFFRACTION	33	chain 'H' and (resid 194 through 245 )	H	194 - 245
34	X-RAY DIFFRACTION	34	chain 'H' and (resid 246 through 420 )	H	246 - 420

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