PDB-4o5m: X-ray Crystal Structure of Isovaleryl-CoA Dehydrogenase from Bruc...

ID or keywords:

Entry

Database: PDB / ID: 4o5m

Title

X-ray Crystal Structure of Isovaleryl-CoA Dehydrogenase from Brucella suis

Components

Isovaleryl-CoA dehydrogenase

Keywords

OXIDOREDUCTASE /

Structural Genomics / NIAID /

National Institute of Allergy and Infectious Diseases / Seattle Structural Genomics Center for Infectious Disease / SSGCID

Function / homology

Function and homology information

isovaleryl-CoA dehydrogenase /

isovaleryl-CoA dehydrogenase activity /

flavin adenine dinucleotide binding /

metal ion binding
Similarity search - Function

Biological species

Brucella suis (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 2.2 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: TO BE PUBLISHED
Title: X-ray Crystal Structure of Isovaleryl-CoA Dehydrogenase from Brucella suis
Authors: Fairman, J.W. / Edwards, T.E. / Lorimer, D.

History

Deposition	Dec 19, 2013	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jan 1, 2014	Provider: repository / Type: Initial release
Revision 1.1	Feb 28, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _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	4o5m.cif.gz	533.6 KB	Display	PDBx/mmCIF format
PDB format	pdb4o5m.ent.gz	440.6 KB	Display	PDB format
PDBx/mmJSON format	4o5m.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/o5/4o5m ftp://data.pdbj.org/pub/pdb/validation_reports/o5/4o5m	HTTPS FTP

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Related structure data

Similar structure data	4x28-d 3oib-2 2q02-d 2jbr-d 3swo-d 6x3f-d 1buc-1 1rx0-d Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Other databases	TargetTrack: BrsuA.00027.a

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: Isovaleryl-CoA dehydrogenase

B: Isovaleryl-CoA dehydrogenase

C: Isovaleryl-CoA dehydrogenase

D: Isovaleryl-CoA dehydrogenase

hetero molecules

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

1

Idetical with deposited unit
defined by software

Unit cell

Length a, b, c (Å)	82.210, 91.070, 102.140
Angle α, β, γ (deg.)	90.000, 99.250, 90.000
Int Tables number	4
Space group name H-M	P12₁1

Details

AS PER THE AUTHORS THE BIOLOGICAL ASSEMBLY IS UNKNOWN

#1: Protein	Isovaleryl-CoA dehydrogenase / Mass: 42497.293 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Brucella suis (bacteria) / Strain: 1330 / Gene: ivd, BR0020, BS1330_I0020 / Production host: Escherichia coli (E. coli) References: UniProt: Q8G3C9, UniProt: A0A0H3G544*PLUS, isovaleryl-CoA dehydrogenase
#2: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Ca
#3: Chemical	ChemComp-PG5 / 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE / Triethylene glycol dimethyl ether Mass: 178.226 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₈H₁₈O₄
#4: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 249 / 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: 2.22 Å³/Da / Density % sol: 44.6 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 0.4 uL protein at 17.53 mg/ml + 0.4 uL JCSG+ D10 - 40% PEG 300, 0.2 M Calcium acetate, 0.1 sodium cacodylate, pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 289K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

ALS

/ Beamline: 8.2.2 / Wavelength: 0.9999 Å

Detector

Type: ADSC QUANTUM 315r / Detector: CCD / Date: Sep 25, 2013

Radiation

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

Radiation wavelength

Wavelength: 0.9999 Å / Relative weight: 1

Reflection

Resolution: 2.2→50 Å / Num. all: 75627 / Num. obs: 74678 / % possible obs: 98.7 % / Observed criterion σ(I): -3 / B_iso Wilson estimate: 40.03 Å² / R_merge(I) obs: 0.036 / Net I/σ(I): 26.87

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Highest resolution (Å)	R_merge(I) obs	Mean I/σ(I) obs	Num. measured obs	Num. unique obs	% possible all
2.2-2.26		0.532	2.7	19461	5486	98.5
2.26-2.32		0.432	3.32	19139	5386	98.4
2.32-2.39		0.31	4.46	18445	5177	98.8
2.39-2.46		0.246	5.73	18043	5069	98.7
2.46-2.54		0.205	6.78	17541	4917	99
2.54-2.63		0.173	8.19	16928	4764	99.1
2.63-2.73		0.125	10.98	16238	4586	98.7
2.73-2.84		0.1	13.55	15702	4437	98.8
2.84-2.97		0.074	17.85	14844	4217	99.1
2.97-3.11		0.055	23.15	14157	4075	99.2
3.11-3.28		0.038	31.3	13437	3871	98.7
3.28-3.48		0.028	40.35	12568	3651	99.2
3.48-3.72		0.022	49.26	11705	3456	99.2
3.72-4.02		0.017	60.78	10680	3189	98.6
4.02-4.4		0.015	69.64	9696	2954	99
4.4-4.92		0.014	72.94	8707	2676	98.7
4.92-5.68		0.014	71.81	7460	2350	97.9
5.68-6.96		0.015	71.33	6617	2004	98.3
6.96-9.84		0.012	91.04	5291	1552	98.4
	9.84	0.011	96.57	2787	861	95.8

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
PHASER		phasing
PHENIX	1.8.4_1496	refinement
PDB_EXTRACT	3.14	data extraction
XDS		data reduction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.2→46.282 Å / Occupancy max: 1 / Occupancy min: 0.32 / FOM work R set: 0.813 / SU ML: 0.27 / σ(F): 1.35 / Phase error: 25.79 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2337	3752	5.03 %
R_work	0.2003	-	-
obs	0.202	74661	98.75 %
all	-	75627	-

Solvent computation

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

Displacement parameters

B_iso max: 150.68 Å² / B_iso mean: 59.3933 Å² / B_iso min: 23.66 Å²

Refinement step

Cycle: LAST / Resolution: 2.2→46.282 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10250	0	37	249	10536

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	10460
X-RAY DIFFRACTION	f_angle_d	0.713	14168
X-RAY DIFFRACTION	f_chiral_restr	0.027	1601
X-RAY DIFFRACTION	f_plane_restr	0.003	1865
X-RAY DIFFRACTION	f_dihedral_angle_d	11.502	3621

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 27

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
2.2-2.2278	0.3094	128	0.2941	2669	2797	98
2.2278-2.2572	0.3231	136	0.2829	2547	2683	98
2.2572-2.2881	0.3305	151	0.2826	2622	2773	98
2.2881-2.3208	0.3062	129	0.27	2632	2761	98
2.3208-2.3554	0.2974	117	0.2462	2619	2736	99
2.3554-2.3922	0.3258	137	0.246	2584	2721	99
2.3922-2.4314	0.2713	144	0.2325	2622	2766	99
2.4314-2.4733	0.2584	149	0.2332	2601	2750	99
2.4733-2.5183	0.2728	135	0.2297	2609	2744	99
2.5183-2.5667	0.2367	147	0.2313	2624	2771	99
2.5667-2.6191	0.2753	147	0.22	2630	2777	99
2.6191-2.6761	0.2641	145	0.2254	2623	2768	99
2.6761-2.7383	0.2847	128	0.2197	2634	2762	99
2.7383-2.8068	0.3132	131	0.2293	2586	2717	99
2.8068-2.8827	0.2861	138	0.2235	2615	2753	99
2.8827-2.9675	0.252	132	0.2287	2644	2776	99
2.9675-3.0633	0.3055	147	0.2244	2650	2797	99
3.0633-3.1727	0.2615	136	0.2176	2632	2768	99
3.1727-3.2997	0.2408	135	0.2118	2627	2762	99
3.2997-3.4498	0.2482	138	0.1993	2624	2762	99
3.4498-3.6317	0.2321	135	0.1846	2650	2785	99
3.6317-3.8591	0.1915	156	0.1771	2612	2768	99
3.8591-4.1569	0.1721	152	0.1584	2637	2789	99
4.1569-4.5749	0.2076	143	0.1616	2636	2779	99
4.5749-5.2361	0.2019	154	0.1682	2634	2788	99
5.2361-6.5938	0.2241	120	0.2069	2649	2769	98
6.5938-46.282	0.1958	142	0.1829	2697	2839	98

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	4.1503	1.3768	-0.3086	3.6457	0.414	3.0214	-0.093	-0.3749	-0.4652	0.0525	0.2109	-0.159	-0.0481	0.2211	-0.1166	0.2119	0.0016	-0.0173	0.5227	0.109	0.4174	77.0823	22.445	94.6452
2	3.7512	-0.6495	0.3011	2.2464	-0.9346	3.7513	-0.0072	-0.0535	-1.3215	-0.1629	0.3186	0.1319	0.4725	0.655	-0.2402	0.32	0.1038	-0.0211	0.6568	-0.0911	0.9627	87.8601	6.4574	84.018
3	5.8218	-3.4672	-2.0113	3.6734	-0.7931	3.8256	0.3651	0.5651	-0.3657	-0.3916	-0.1627	0.3366	-0.0827	0.409	-0.1909	0.3159	-0.0085	0.0208	0.8895	-0.1872	0.7251	91.8942	13.5851	76.9262
4	5.1998	-3.4451	-3.6075	3.3725	1.6964	6.2478	0.5099	0.4205	-0.5595	-0.7368	-0.2739	0.0247	-0.6188	0.878	-0.2238	0.1724	0.0097	-0.069	0.8871	-0.1843	0.6998	90.699	16.7075	77.7281
5	5.0671	-2.9274	-3.0602	2.9763	3.7394	5.5142	-0.1607	-0.1825	-0.1171	-0.2391	0.2277	0.0823	-0.1135	0.147	-0.0381	0.2318	-0.0083	-0.0622	0.3905	0.0731	0.3194	68.4135	30.2311	88.5122
6	4.0667	3.5272	3.2936	3.4842	2.029	7.4639	-0.6511	-0.6683	0.0816	-0.6557	0.5036	-0.1135	-1.8052	0.5169	0.1546	0.7337	-0.0626	-0.0664	0.56	-0.05	0.4659	56.212	49.4911	91.9243
7	1.7478	0.0268	-0.3346	4.525	-1.239	1.6844	0.0274	-0.0222	-0.2051	-0.1273	-0.1706	-0.0789	-0.1705	0.0299	0.1345	0.25	0.005	-0.0577	0.4347	0.0772	0.3267	67.1648	29.1918	83.1128
8	4.7019	5.5512	5.0213	8.2213	6.1153	5.3837	0.7389	0.5307	-1.9226	-0.1462	1.2475	-0.4017	0.6464	0.0949	-1.9859	1.0832	0.0833	-0.2056	0.795	0.1228	1.2701	61.9201	15.1377	67.7541
9	5.6098	2.8152	1.0941	1.9318	-0.6784	3.5097	-0.1967	0.3235	0.8229	-0.077	0.2715	0.8093	-0.238	-0.9429	-0.1028	0.4623	0.1141	-0.0749	0.7563	0.1473	0.8714	32.8878	49.0921	55.8643
10	1.9016	-0.2345	-0.2431	1.9353	0.1522	4.455	-0.0956	0.776	0.2119	-0.6429	0.1669	0.411	0.1177	-0.8059	-0.02	0.557	-0.1152	-0.193	0.83	0.1789	0.6121	36.4881	41.2394	41.8223
11	3.3555	1.0778	-0.1595	1.9605	-0.2435	7.8816	-0.1455	0.4631	-0.4775	-0.8579	0.3282	0.3405	1.1665	-0.7371	-0.2349	0.95	-0.2601	-0.1542	0.7484	0.06	0.6687	34.1112	27.3984	43.6026
12	4.6549	1.0566	0.2468	6.9388	-0.4161	6.6561	-0.0591	-0.0776	-0.3595	-0.2695	0.094	-1.3888	0.801	0.6599	0.006	0.7585	-0.0095	-0.0672	0.8949	0.0267	0.7482	44.6043	31.8333	33.5631
13	4.7477	1.5658	-1.9958	3.379	-0.9239	7.3605	0.0182	-0.0396	0.3528	-0.016	0.2513	0.6271	-0.207	-0.5931	-0.2281	0.2669	0.0399	-0.0395	0.2762	0.1005	0.5095	45.2997	47.9098	64.9213
14	9.3057	5.9611	-2.7861	3.9097	-1.6306	1.0859	-0.1908	0.6261	1.3522	-2.5381	0.7796	0.6398	0.9288	0.5637	-0.4099	1.1732	-0.0459	-0.1872	0.5439	-0.0116	0.8035	57.811	42.372	47.109
15	3.1749	2.4298	-3.1341	2.5257	-2.9013	8.6193	-0.0949	-0.0803	0.2276	-0.3234	0.1972	0.5281	0.0684	-0.5256	0.0116	0.2782	-0.0119	-0.0771	0.3585	0.0612	0.4977	40.8911	37.5641	66.7408
16	4.2574	2.2361	-6.0923	8.7887	-2.2037	8.9113	-0.1257	1.4156	-0.5095	-1.1646	-0.2217	0.2011	-0.2528	-1.2668	0.2264	0.6624	0.1004	-0.1258	0.5662	-0.0602	0.4001	63.2046	34.2092	50.8373
17	5.314	-4.3327	5.7448	3.6779	-4.2457	7.4407	1.3439	0.8369	-0.7613	-2.5431	-0.6382	-0.1134	2.3181	0.5652	-0.4608	0.9918	-0.0497	-0.147	0.5573	0.0227	0.8119	51.6888	10.9816	75.9357
18	4.1984	-0.1286	-0.525	1.3989	-0.1723	1.8907	0.0249	-0.469	-0.5374	0.1077	-0.0235	0.1156	0.1751	-0.2323	0.0111	0.2335	-0.0487	-0.0331	0.591	0.1165	0.5181	33.8177	14.2016	89.0995
19	4.3233	-2.7514	2.1499	2.9857	-3.6891	5.4238	-0.7511	-0.715	0.2985	1.2709	0.0973	0.6538	-0.8742	0.7042	0.3582	0.6491	-0.2039	0.2651	1.0893	-0.3253	0.6839	19.3699	36.7699	104.2756
20	5.477	-0.9073	-2.2474	1.3608	-0.5435	1.5566	0.0121	-0.9344	0.3487	0.3358	-0.0032	-0.0307	-0.2551	0.2783	-0.0053	0.2946	-0.073	-0.0075	0.8748	-0.0391	0.6109	23.6865	30.1655	93.9512
21	5.1585	-3.9679	-0.2299	3.1731	0.1688	0.0085	0.42	-0.9813	1.0079	0.4617	-0.0187	2.3698	0.3373	-0.5979	-0.4535	0.6082	-0.1313	0.1519	0.947	-0.0327	1.0523	41.0608	28.3367	96.7232
22	1.2561	0.0474	1.2266	1.6147	0.7469	4.4879	-0.0605	-0.0372	-0.0788	-0.2312	0.0042	-0.079	0.2423	0.1742	0.0391	0.2178	0.0102	-0.023	0.3819	0.0683	0.4892	50.956	18.785	76.403
23	2.0597	0.3094	1.9397	2.0898	0.5378	9.8135	0.091	0.1294	-0.0271	-0.1684	0.0453	-0.0482	0.0483	0.0861	-0.1061	0.2158	0.0508	0.0248	0.4624	0.1352	0.5192	43.7828	26.3817	75.0859
24	4.1498	3.8983	6.3733	3.839	6.0046	9.8148	-0.108	-0.7996	0.449	0.41	-0.8004	1.3515	0.3175	-1.3602	0.9424	0.6284	0.0264	0.0878	0.8397	0.0614	0.8589	50.0778	38.1366	92.9624
25	5.7593	-0.7035	2.9421	2.6785	-1.4928	6.8087	0.175	0.0715	-0.1635	-0.3841	-0.054	-0.2897	0.2726	0.5541	-0.1302	0.3879	-0.0351	0.0907	0.2869	-0.0233	0.3307	77.0033	53.5337	58.8573
26	2.9274	0.1938	-0.2144	6.0091	0.4662	2.4646	0.0245	-0.214	0.3919	-0.048	0.0522	-0.0466	-0.5195	0.2091	-0.0666	0.3846	-0.081	0.0531	0.2725	-0.0337	0.2315	73.2484	67.424	65.2031
27	9.4091	-3.1349	-2.3245	1.2903	0.8836	3.6298	0.1288	-1.2067	0.6366	1.1417	0.3446	-0.2657	-0.9168	0.315	-0.5841	1.1268	-0.048	0.051	0.8895	-0.2251	0.3922	71.2217	77.5214	89.7243
28	1.7789	-1.0806	-0.2156	6.7507	1.7541	2.1191	-0.1189	-0.7619	0.2434	0.7573	0.322	-0.4671	-0.521	0.0953	-0.1976	0.6573	-0.1515	-0.0258	0.666	-0.1273	0.3569	75.9854	68.2398	81.5435
29	2.8839	2.3754	-0.9867	2.0365	-1.062	1.1128	-0.134	-0.7449	0.173	0.5745	0.1625	0.443	0.1493	0.2505	0.1713	1.3168	0.5355	0.5357	1.8997	0.0744	1.4324	59.73	74.575	79.5251
30	2.7779	-0.5905	-1.8618	4.9715	3.8667	5.1447	-0.0516	-0.0807	-0.188	-0.2706	0.0485	-0.1541	0.1482	0.3249	-0.0376	0.293	0.0252	0.0002	0.266	0.0301	0.2453	69.4726	41.317	61.4636
31	3.3536	-0.4902	0.4908	3.9251	-1.019	3.4927	-0.0427	-0.0522	-0.0283	0.0945	-0.0207	0.0667	0.1029	0.091	0.0711	0.2936	-0.0309	0.0229	0.2612	0.0283	0.2869	64.1588	45.2888	65.2345
32	3.5732	-2.0561	-2.819	3.7355	0.2721	4.0156	-0.3904	-0.6054	0.889	0.7917	0.4258	1.1445	-0.5265	-0.6395	-0.0827	0.8507	0.1017	0.0716	0.5441	0.0649	0.794	51.4009	55.2964	77.4342

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 -3:93)	A	-3 - 93
2	X-RAY DIFFRACTION	2	(chain A and resid 94:148)	A	94 - 148
3	X-RAY DIFFRACTION	3	(chain A and resid 149:199)	A	149 - 199
4	X-RAY DIFFRACTION	4	(chain A and resid 200:226)	A	200 - 226
5	X-RAY DIFFRACTION	5	(chain A and resid 239:268)	A	239 - 268
6	X-RAY DIFFRACTION	6	(chain A and resid 269:286)	A	269 - 286
7	X-RAY DIFFRACTION	7	(chain A and resid 287:362)	A	287 - 362
8	X-RAY DIFFRACTION	8	(chain A and resid 363:381)	A	363 - 381
9	X-RAY DIFFRACTION	9	(chain B and resid -2:42)	B	-2 - 42
10	X-RAY DIFFRACTION	10	(chain B and resid 43:165)	B	43 - 165
11	X-RAY DIFFRACTION	11	(chain B and resid 166:214)	B	166 - 214
12	X-RAY DIFFRACTION	12	(chain B and resid 215:241)	B	215 - 241
13	X-RAY DIFFRACTION	13	(chain B and resid 242:309)	B	242 - 309
14	X-RAY DIFFRACTION	14	(chain B and resid 310:315)	B	310 - 315
15	X-RAY DIFFRACTION	15	(chain B and resid 316:368)	B	316 - 368
16	X-RAY DIFFRACTION	16	(chain B and resid 369:382)	B	369 - 382
17	X-RAY DIFFRACTION	17	(chain C and resid -3:1)	C	-3 - 1
18	X-RAY DIFFRACTION	18	(chain C and resid 2:126)	C	2 - 126
19	X-RAY DIFFRACTION	19	(chain C and resid 137:152)	C	137 - 152
20	X-RAY DIFFRACTION	20	(chain C and resid 153:234)	C	153 - 234
21	X-RAY DIFFRACTION	21	(chain C and resid 235:243)	C	235 - 243
22	X-RAY DIFFRACTION	22	(chain C and resid 244:309)	C	244 - 309
23	X-RAY DIFFRACTION	23	(chain C and resid 310:361)	C	310 - 361
24	X-RAY DIFFRACTION	24	(chain C and resid 362:382)	C	362 - 382
25	X-RAY DIFFRACTION	25	(chain D and resid -3:40)	D	-3 - 40
26	X-RAY DIFFRACTION	26	(chain D and resid 41:126)	D	41 - 126
27	X-RAY DIFFRACTION	27	(chain D and resid 137:153)	D	137 - 153
28	X-RAY DIFFRACTION	28	(chain D and resid 154:227)	D	154 - 227
29	X-RAY DIFFRACTION	29	(chain D and resid 228:235)	D	228 - 235
30	X-RAY DIFFRACTION	30	(chain D and resid 236:278)	D	236 - 278
31	X-RAY DIFFRACTION	31	(chain D and resid 279:357)	D	279 - 357
32	X-RAY DIFFRACTION	32	(chain D and resid 358:382)	D	358 - 382

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