PDB-7rbx: Crystal structure of isocitrate lyase and phosphorylmutase:isocit...

ID or keywords:

Entry

Database: PDB / ID: 7rbx

Title

Crystal structure of isocitrate lyase and phosphorylmutase:isocitrate lyase from Brucella melitensis biovar Abortus 2308 bound to itaconic acid

Components

Isocitrase

Keywords

LYASE/LYASE INHIBITOR / structural genomics / NIAID / brucellosis / Brucellaceae / covalent inhibitor / ITN / substrate analog / ICL / glyoxylate cycle / isocitrate / succinate / TCA cycle bypass / Seattle Structural Genomics Center for Infectious Disease / SSGCID / LYASE-LYASE INHIBITOR complex

Function / homology

Function and homology information

isocitrate lyase / isocitrate lyase activity / carboxylic acid metabolic process / tricarboxylic acid cycle / metal ion binding
Similarity search - Function

Biological species

Brucella abortus (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 1.8 Å

Authors

Seattle Structural Genomics Center for Infectious Disease / Edwards, T.E. / Abendroth, J. / Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Citation

Journal: Plos Pathog. / Year: 2021
Title: Aconitate decarboxylase 1 participates in the control of pulmonary Brucella infection in mice.
Authors: Demars, A. / Vitali, A. / Comein, A. / Carlier, E. / Azouz, A. / Goriely, S. / Smout, J. / Flamand, V. / Van Gysel, M. / Wouters, J. / Abendroth, J. / Edwards, T.E. / Machelart, A. / ...

History

Deposition	Jul 6, 2021	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 6, 2021	Provider: repository / Type: Initial release
Revision 1.1	Oct 18, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.2	Nov 13, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7rbx.cif.gz	690.7 KB	Display	PDBx/mmCIF format
PDB format	pdb7rbx.ent.gz	567.2 KB	Display	PDB format
PDBx/mmJSON format	7rbx.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/rb/7rbx ftp://data.pdbj.org/pub/pdb/validation_reports/rb/7rbx	HTTPS FTP

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Related structure data

Related structure data	3eolS S: Starting model for refinement
Similar structure data	3oq8-d 3m0y-d 3m0m-d 6c4c-2 3itl-d 4qo8-d 3ito-d 3m0v-d 4qo7-d 4r68-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: BrabA.00014.a

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#50 - Feb 2004 Glycolytic Enzymes similarity (2)

Deposited unit

A: Isocitrase

B: Isocitrase

C: Isocitrase

D: Isocitrase

hetero molecules

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

1

Idetical with deposited unit
defined by software
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	76.750, 136.270, 181.980
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁

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Protein , 1 types, 4 molecules ABCD

#1: Protein	Isocitrase / Isocitratase / Isocitrate lyase Mass: 49139.258 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Brucella abortus (strain 2308) (bacteria) Strain: 2308 / Gene: BAB1_1631 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q2YQA0, isocitrate lyase

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Non-polymers , 5 types, 1606 molecules

#2: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₂H₆O₂
#3: Chemical	ChemComp-ITN / 2-methylidenebutanedioic acid Mass: 130.099 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₅H₆O₄ / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#5: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO₄
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1590 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y
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: 2.42 Å³/Da / Density % sol: 49.2 %
Crystal grow	Temperature: 287 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: BrabA.00014.a.A1.PW38950 at 25.5 mg/mL with 2.5 mM itaconic acid and 2.5 mM MgCl2 against MCSG1 screen condition G8: 0.2 M ammonium sulfate, 0.1 M Tris pH 8.5, 25% PEG 3350 supplemented with ...Details: BrabA.00014.a.A1.PW38950 at 25.5 mg/mL with 2.5 mM itaconic acid and 2.5 mM MgCl2 against MCSG1 screen condition G8: 0.2 M ammonium sulfate, 0.1 M Tris pH 8.5, 25% PEG 3350 supplemented with 20% ethylene glycol as cryo-protectant; crystal tracking ID 321126g8, unique puck ID qrt6-6

Crystal

Density Matthews: 2.42 Å³/Da / Density % sol: 49.2 %

Crystal grow

Temperature: 287 K / Method: vapor diffusion, sitting drop / pH: 8.5
Details: BrabA.00014.a.A1.PW38950 at 25.5 mg/mL with 2.5 mM itaconic acid and 2.5 mM MgCl2 against MCSG1 screen condition G8: 0.2 M ammonium sulfate, 0.1 M Tris pH 8.5, 25% PEG 3350 supplemented with ...

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 21-ID-F / Wavelength: 0.97872 Å

Detector

Type: RAYONIX MX-300 / Detector: CCD / Date: Jun 10, 2021

Radiation

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

Radiation wavelength

Wavelength: 0.97872 Å / Relative weight: 1

Reflection

Resolution: 1.8→47.59 Å / Num. obs: 175674 / % possible obs: 99.4 % / Redundancy: 6.833 % / B_iso Wilson estimate: 25.21 Å² / CC_1/2: 0.998 / R_merge(I) obs: 0.072 / R_rim(I) all: 0.078 / Χ²: 0.937 / Net I/σ(I): 14.83 / Num. measured all: 1200309

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Mean I/σ(I) obs	Num. measured obs	Num. possible	Num. unique obs	CC_1/2	R_rim(I) all	% possible all
1.8-1.85	7.05	0.539	3.36	90934	12950	12899	0.923	0.581	99.6
1.85-1.9	7.024	0.426	4.2	88310	12607	12573	0.951	0.46	99.7
1.9-1.95	6.976	0.352	5.02	85747	12315	12292	0.967	0.381	99.8
1.95-2.01	6.927	0.28	6.16	82583	11946	11922	0.975	0.303	99.8
2.01-2.08	6.842	0.215	7.82	78955	11562	11539	0.985	0.232	99.8
2.08-2.15	6.756	0.173	9.32	75259	11179	11140	0.989	0.187	99.7
2.15-2.23	6.429	0.146	10.66	68801	10845	10702	0.99	0.159	98.7
2.23-2.32	6.243	0.123	12.24	63718	10440	10206	0.992	0.134	97.8
2.32-2.43	7.217	0.111	14.78	72173	10028	10000	0.994	0.12	99.7
2.43-2.55	7.176	0.1	16.5	68191	9539	9502	0.995	0.108	99.6
2.55-2.68	7.121	0.085	19.08	64612	9124	9074	0.995	0.092	99.5
2.68-2.85	7.041	0.078	21.01	61021	8702	8667	0.996	0.085	99.6
2.85-3.04	6.916	0.069	23.59	55850	8103	8075	0.996	0.075	99.7
3.04-3.29	6.798	0.062	25.58	51530	7591	7580	0.997	0.067	99.9
3.29-3.6	6.511	0.056	27.78	45706	7033	7020	0.997	0.061	99.8
3.6-4.02	6.082	0.053	28.83	38502	6388	6330	0.997	0.057	99.1
4.02-4.65	6.117	0.049	30.14	32916	5624	5381	0.998	0.053	95.7
4.65-5.69	7.132	0.046	33.04	34441	4834	4829	0.998	0.05	99.9
5.69-8.05	7.107	0.044	33	26807	3777	3772	0.998	0.048	99.9
8.05-47.59	6.565	0.04	33.24	14253	2204	2171	0.998	0.043	98.5

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
PHENIX	dev-4274	refinement
XDS		data reduction
XSCALE		data scaling
MOLREP		phasing
PDB_EXTRACT	3.27	data extraction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 3eol

3eol

Resolution: 1.8→47.59 Å / SU ML: 0.15 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 17.22 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.1663	1913	1.09 %
R_work	0.1427	173702	-
obs	0.143	175615	99.35 %

Solvent computation

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

Displacement parameters

B_iso max: 95.8 Å² / B_iso mean: 31.1116 Å² / B_iso min: 15.51 Å²

Refinement step

Cycle: final / Resolution: 1.8→47.59 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	12970	0	74	1592	14636
B_iso mean	-	-	37.12	38.1	-
Num. residues	-	-	-	-	1698

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	13513
X-RAY DIFFRACTION	f_angle_d	0.781	18328
X-RAY DIFFRACTION	f_dihedral_angle_d	13.394	4932
X-RAY DIFFRACTION	f_chiral_restr	0.05	1967
X-RAY DIFFRACTION	f_plane_restr	0.008	2436

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / Total num. of bins used: 14

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
1.8-1.85	0.2156	131	0.1982	12285	12416	100
1.85-1.89	0.2243	143	0.1819	12339	12482	100
1.89-1.95	0.202	130	0.1765	12345	12475	100
1.95-2.01	0.1996	126	0.1681	12367	12493	100
2.01-2.09	0.2192	138	0.1588	12373	12511	100
2.09-2.17	0.2149	134	0.1531	12328	12462	100
2.17-2.27	0.1689	147	0.1479	12117	12264	98
2.27-2.39	0.173	120	0.1436	12357	12477	99
2.39-2.54	0.1496	129	0.1418	12406	12535	100
2.54-2.73	0.1581	143	0.1426	12441	12584	100
2.73-3.01	0.164	134	0.1452	12446	12580	100
3.01-3.44	0.1573	178	0.1432	12506	12684	100
3.44-4.34	0.146	126	0.1248	12372	12498	98
4.34-47.59	0.1527	134	0.1314	13020	13154	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	0.9587	-0.4182	0.3454	1.5071	-0.0475	1.2307	0.0077	0.0485	0.1455	0.013	-0.0275	-0.2808	-0.2073	0.2459	0.0342	0.1999	-0.0562	0.02	0.2252	0.0065	0.22	-4.8765	29.8006	-30.717
2	0.9809	0.4177	-0.7772	1.5965	-0.9699	2.6748	-0.0212	-0.0099	0.0194	0.0091	-0.0577	0.033	-0.0822	-0.104	0.077	0.1562	0.0027	-0.0183	0.1586	-0.0132	0.1804	-21.5957	23.4927	-35.111
3	0.5083	-0.1463	-0.1506	0.9613	0.1385	2.8384	-0.025	-0.0753	0.0425	0.1229	0.0384	0.0404	-0.0446	-0.0965	-0.015	0.2001	-0.0286	-0.0097	0.174	-0.0007	0.211	-14.681	26.9671	-21.1674
4	1.5421	0.3655	-0.5857	2.8676	-0.9396	2.1504	0.0476	-0.2844	0.0437	0.5471	0.0602	0.1314	-0.3888	-0.0796	-0.1302	0.3998	0.0286	-0.0037	0.2704	-0.0347	0.2264	-18.4663	33.779	-3.1846
5	2.1937	0.0946	0.9047	2.0613	0.5984	2.5037	0.0028	-0.1257	0.2747	0.1036	-0.0711	0.1331	-0.4684	-0.2367	0.0775	0.3139	0.0233	0.0145	0.1582	-0.0238	0.2112	-21.4686	44.3396	-22.28
6	0.5027	0.0845	0.7454	1.005	0.1914	2.8497	0.0214	0.0044	0.0552	-0.2299	-0.1132	0.2752	-0.3621	-0.5178	0.0811	0.2728	0.1226	-0.0519	0.2916	-0.0349	0.3039	-40.3727	31.4015	-45.519
7	4.1518	-2.2748	-1.323	4.1426	1.6094	1.7056	0.1874	0.5427	-0.2368	-0.6383	-0.3236	0.4214	-0.1846	-0.3884	0.112	0.3952	0.0225	-0.0368	0.2964	0.0287	0.1927	-23.0681	21.7442	-60.7956
8	1.1676	-0.5077	0.3057	1.145	0.0411	0.9177	0.1201	-0.0062	-0.2733	0.1434	-0.1653	0.4809	0.3394	-0.5068	0.0383	0.3692	-0.1813	0.0301	0.4374	-0.0878	0.4062	-45.904	-9.8603	-42.2896
9	0.9189	0.1698	0.6533	2.2008	0.1014	0.7163	0.0368	0.041	0.0034	0.0383	-0.1628	0.5788	0.0588	-0.5553	0.1066	0.1702	-0.0099	-0.0045	0.4088	-0.0832	0.3125	-47.111	13.9432	-40.7299
10	1.5914	-0.5242	-0.6466	1.3529	0.2822	1.8675	0.0463	0.1631	-0.022	-0.078	-0.0954	0.0911	-0.0616	-0.192	0.0513	0.1845	-0.0023	-0.0314	0.2078	-0.0125	0.1858	-29.8824	15.2145	-46.0578
11	0.1318	-0.2283	-0.1594	1.52	1.1059	2.2123	-0.029	0.0244	-0.0483	0.0308	-0.0984	0.2554	0.097	-0.3584	0.1261	0.1385	-0.0412	-0.0036	0.2828	-0.0277	0.247	-38.5247	9.8086	-36.5065
12	0.3806	-0.3547	-0.4638	0.5232	0.0433	2.0096	0.045	0.0837	0.0045	-0.1441	-0.0856	0.1585	0.0819	-0.3303	0.0477	0.2183	-0.0269	-0.0508	0.2921	-0.055	0.2571	-35.339	3.0236	-56.6848
13	3.1427	-0.4323	-1.2875	0.8763	0.4251	1.396	0.1816	0.3167	-0.0176	-0.3555	-0.1549	0.1828	-0.0166	-0.3426	-0.0137	0.3777	0.03	-0.1171	0.3872	-0.0542	0.2411	-35.2003	2.2436	-70.477
14	0.6961	-0.2118	0.2236	1.0819	0.5934	1.3709	0.0051	0.1753	-0.0087	-0.3607	-0.1195	0.3175	-0.2127	-0.424	0.1312	0.2984	0.0635	-0.131	0.504	-0.0551	0.3721	-47.6234	17.0329	-59.2191
15	1.0926	0.147	0.512	1.2124	0.9344	1.5863	-0.0371	0.0344	0.2726	-0.1568	-0.0899	0.2037	-0.4032	-0.3115	0.1285	0.2652	0.0994	-0.0329	0.248	0.0074	0.2772	-33.429	37.7446	-38.6045
16	1.1708	-0.0487	0.0435	5.0119	-3.6767	4.4697	-0.0145	-0.2755	0.1847	0.7734	-0.0958	0.0329	-0.7328	-0.1731	0.0697	0.3352	0.0259	0.0579	0.3921	-0.0686	0.2982	-38.144	26.3473	-16.7648
17	2.0156	-0.8097	1.134	2.3246	-0.1663	2.5898	0.0333	0.272	0.2674	-0.5203	-0.0609	-0.5514	-0.2291	0.5252	0.0091	0.2614	-0.0318	0.1151	0.3225	0.02	0.3362	4.0863	13.0768	-57.2512
18	0.8208	-0.512	0.0257	2.4023	-0.4953	1.6786	0.041	0.0332	0.0855	-0.0423	-0.0079	-0.3364	-0.005	0.319	-0.0096	0.1684	-0.0089	0.0092	0.2256	-0.0281	0.2189	0.8865	6.3957	-43.3872
19	2.957	-0.6976	0.4302	1.1081	0.1485	1.2937	0.0633	0.0683	-0.1082	0.0389	-0.0292	0.097	0.2794	-0.0628	-0.0355	0.266	-0.0037	0.0052	0.1662	-0.0006	0.174	-14.5979	-4.0914	-40.2176
20	6.8683	4.6816	5.3482	3.4582	3.7922	4.2492	-0.1072	-0.2037	0.1315	0.1264	-0.0079	-0.0256	-0.0701	-0.0208	0.1105	0.1658	0.0342	0.0118	0.1999	-0.0097	0.1865	-3.8031	6.4249	-29.7654
21	0.5043	0.2743	0.3684	0.8272	0.6967	1.6198	0.028	0.0666	-0.036	-0.132	0.0133	-0.0405	0.1513	0.0244	-0.0466	0.2402	0.0203	0.0252	0.2081	0.0064	0.1875	-10.348	-2.3798	-56.5402
22	1.3922	-0.3366	-0.5029	2.1458	-0.0183	2.4776	-0.0372	0.038	-0.1595	0.0234	0.0629	-0.1976	0.3798	0.1767	-0.0039	0.2592	0.0742	0.0057	0.2062	-0.0325	0.2269	1.3351	-14.7438	-51.475
23	0.7018	-0.4718	0.2948	0.9939	-0.5341	3.0819	-0.0828	-0.1267	-0.1591	0.3421	0.1013	-0.04	0.6727	0.1763	-0.0098	0.5194	0.0946	-0.0014	0.2022	0.0123	0.2286	-8.9488	-16.8595	-20.6845
24	0.6103	-0.3467	-0.4932	5.9015	1.1265	2.089	-0.1092	-0.0566	-0.0426	0.4255	0.1984	-0.1722	0.2843	0.291	-0.0909	0.2597	0.0419	-0.0585	0.2849	0.0045	0.2144	-1.5506	5.1717	-16.3787
25	2.1565	0.0663	-0.2947	6.2545	-0.2161	2.1366	-0.0736	-0.4085	-0.0684	1.1643	0.278	-0.5417	0.1642	0.6097	-0.2021	0.5232	0.0303	-0.1034	0.4693	-0.0145	0.3163	-1.7293	5.5712	-6.6375
26	0.6905	-0.3296	-0.0698	1.1243	-0.1493	0.9878	0.0097	-0.14	-0.0819	0.2871	-0.0296	0.4589	0.1829	-0.5865	0.0591	0.3334	-0.1309	0.1191	0.4752	-0.0402	0.3433	-44.701	3.371	-13.0251
27	0.9453	-0.3345	-0.0704	0.7555	0.2732	1.1612	-0.0038	-0.0668	-0.1747	0.2274	-0.0661	0.0702	0.3716	-0.126	0.0703	0.3347	-0.0432	0.0302	0.1862	0.0092	0.1663	-22.2288	-6.2119	-19.684
28	1.839	1.5939	2.1233	5.1525	5.6728	6.3985	-0.0352	0.0095	-0.1037	-0.1061	-0.1483	0.1866	0.3061	-0.2974	0.1769	0.2966	-0.0728	0.0389	0.2031	0.0161	0.1947	-27.399	-8.3661	-31.8061
29	0.3499	0.1938	0.224	0.7547	0.5635	1.3716	-0.0346	-0.0702	-0.0224	0.2028	0.0032	0.0391	0.1987	-0.0634	0.04	0.3041	-0.0337	0.0463	0.234	0.0127	0.1762	-23.7744	5.2796	-6.9468
30	0.2561	0.2433	-0.1705	1.1002	-0.1904	1.2859	-0.0432	-0.2967	-0.1112	0.4523	-0.0147	-0.0679	0.6026	0.1091	0.0601	0.6628	0.0009	0.0253	0.3116	0.0606	0.23	-18.2163	-11.2022	-2.6646
31	0.5313	-0.0136	-0.6063	1.8728	0.7673	2.6651	-0.0635	-0.1033	-0.1673	0.1461	0.0759	-0.134	0.618	0.2621	-0.0054	0.409	0.1061	-0.0333	0.2121	0.0268	0.2181	-3.5198	-16.7077	-30.8981
32	3.3004	-1.3071	0.8462	1.6606	-1.2863	1.613	0.1448	0.4519	-0.2763	-0.2325	-0.1866	0.064	0.6768	0.0589	-0.0162	0.5106	-0.0696	0.0199	0.2562	-0.0539	0.2941	-22.6626	-18.3114	-46.2074

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 75 )	A	3 - 75
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 76 through 131 )	A	76 - 131
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 132 through 236 )	A	132 - 236
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 237 through 274 )	A	237 - 274
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 275 through 344 )	A	275 - 344
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 345 through 382 )	A	345 - 382
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 383 through 426 )	A	383 - 426
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 2 through 39 )	B	2 - 39
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 40 through 75 )	B	40 - 75
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 76 through 108 )	B	76 - 108
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 109 through 168 )	B	109 - 168
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 169 through 236 )	B	169 - 236
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 237 through 274 )	B	237 - 274
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 275 through 344 )	B	275 - 344
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 345 through 382 )	B	345 - 382
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 383 through 425 )	B	383 - 425
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 2 through 24 )	C	2 - 24
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 25 through 75 )	C	25 - 75
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 76 through 108 )	C	76 - 108
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 109 through 131 )	C	109 - 131
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 132 through 274 )	C	132 - 274
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 275 through 344 )	C	275 - 344
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 345 through 382 )	C	345 - 382
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 383 through 405 )	C	383 - 405
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 406 through 426 )	C	406 - 426
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 2 through 39 )	D	2 - 39
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 40 through 108 )	D	40 - 108
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 109 through 131 )	D	109 - 131
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 132 through 274 )	D	132 - 274
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 275 through 344 )	D	275 - 344
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 345 through 382 )	D	345 - 382
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 383 through 426 )	D	383 - 426

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