PDB-4qh6: Crystal structure of cruzain with nitrile inhibitor N-(2-AMINOETH...

ID or keywords:

Entry

Database: PDB / ID: 4qh6

Title

Crystal structure of cruzain with nitrile inhibitor N-(2-AMINOETHYL)-NALPHA-BENZOYL-L-PHENYLALANINAMIDE

Components

Cruzipain

Keywords

Hydrolase/Hydrolase inhibitor /

Thiol protease / Hydrolase-Hydrolase inhibitor complex

Function / homology

Function and homology information

cruzipain / cysteine-type endopeptidase activity /

Biological species

Trypanosoma cruzi (eukaryote)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 3.13 Å

Authors

Fernandes, W.B. / Montanari, C.A. / McKerrow, J.H.

Citation

Journal: Plos Negl Trop Dis / Year: 2015
Title: Molecular Design, Synthesis and Trypanocidal Activity of Dipeptidyl Nitriles as Cruzain Inhibitors.
Authors: Avelar, L.A. / Camilo, C.D. / de Albuquerque, S. / Fernandes, W.B. / Goncalez, C. / Kenny, P.W. / Leitao, A. / McKerrow, J.H. / Montanari, C.A. / Orozco, E.V. / Ribeiro, J.F. / Rocha, J.R. / ...

History

Deposition	May 27, 2014	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 5, 2015	Provider: repository / Type: Initial release
Revision 1.1	Dec 16, 2015	Group: Database references
Revision 1.2	Nov 22, 2017	Group: Refinement description / Category: software / Item: _software.classification
Revision 1.3	Sep 20, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _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	4qh6.cif.gz	411.8 KB	Display	PDBx/mmCIF format
PDB format	pdb4qh6.ent.gz	343.5 KB	Display	PDB format
PDBx/mmJSON format	4qh6.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/qh/4qh6 ftp://data.pdbj.org/pub/pdb/validation_reports/qh/4qh6	HTTPS FTP

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Related structure data

Related structure data	3kkuS S: Starting model for refinement
Similar structure data	1f29-3 4w5c-2 1u9q-d 4pi3-2 4klb-2 1f2c-d 4w5c-5 1me4-d 1f2b-d 1f29-2 6o2x-2 1ewm-d 1f29-1 4klb-1 4xui-2 4w5b-1 1ewo-d 1ewl-d 4w5b-3 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) 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

3kkuS

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#142 - Oct 2011 PDB Pioneers similarity (13)

Deposited unit

A: Cruzipain

B: Cruzipain

C: Cruzipain

D: Cruzipain

E: Cruzipain

hetero molecules

114 kDa, 5 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Cruzipain

hetero molecules

defined by author&software
23 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Cruzipain

defined by author&software
22.7 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

C: Cruzipain

defined by author&software
22.7 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

D: Cruzipain

defined by author&software
22.7 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

E: Cruzipain

defined by author&software
22.7 kDa, 1 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	137.790, 137.790, 166.480
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	96
Space group name H-M	P4₃2₁2

#1: Protein	Cruzipain / / Cruzaine / Major cysteine proteinase Mass: 22715.133 Da / Num. of mol.: 5 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Trypanosoma cruzi (eukaryote) / Gene: Cruzipain, GenBank M84342.1 / Plasmid: pET21a / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)RIL / References: UniProt: P25779, cruzipain
#2: Chemical	ChemComp-33L / N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide / Nalpha-benzoyl-N-[(2Z)-2-iminoethyl]-L-phenylalaninamide, bound form Mass: 311.378 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₈H₂₁N₃O₂

#1: Protein

Cruzipain /

/ Cruzaine / Major cysteine proteinase

Mass: 22715.133 Da / Num. of mol.: 5
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Trypanosoma cruzi (eukaryote) / Gene: Cruzipain, GenBank M84342.1 / Plasmid: pET21a / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21(DE3)RIL / References: UniProt: P25779,

cruzipain

#2: Chemical

ChemComp-33L / N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide / Nalpha-benzoyl-N-[(2Z)-2-iminoethyl]-L-phenylalaninamide, bound form

Mass: 311.378 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₈H₂₁N₃O₂

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.48 Å³/Da / Density % sol: 64.64 %
Crystal grow	Temperature: 290 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 0.1M Hepes pH 7.5, 1.2M K/Na tartrate, VAPOR DIFFUSION, HANGING DROP, temperature 290.0K

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Data collection

Diffraction	Mean temperature: 80 K
Diffraction source	Source: SYNCHROTRON / Site: ALS / Beamline: 8.3.1 / Wavelength: 1.11587 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Oct 12, 2012
Radiation	Monochromator: Double flat crystal, Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.11587 Å / Relative weight: 1
Reflection	Resolution: 3.13→34.731 Å / Num. obs: 28790 / % possible obs: 99.7 % / Observed criterion σ(F): 5 / Observed criterion σ(I): 2.5 / R_merge(I) obs: 0.128

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Processing

Software

Name	Version	Classification
PHASER		phasing
PHENIX	(phenix.refine: 1.8.2_1309)	refinement
ELVES		refinement
XDS		data reduction
XSCALE		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 3KKU

3kku

Resolution: 3.13→34.731 Å / SU ML: 0.38 / σ(F): 1.99 / Phase error: 27.39 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2443	1440	5.01 %	RAMDOM
R_work	0.2042	-	-	-
obs	0.2062	28746	99.58 %	-

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 3.13→34.731 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7960	0	23	0	7983

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.005	8195
X-RAY DIFFRACTION	f_angle_d	0.866	11190
X-RAY DIFFRACTION	f_dihedral_angle_d	11.294	2744
X-RAY DIFFRACTION	f_chiral_restr	0.037	1236
X-RAY DIFFRACTION	f_plane_restr	0.004	1455

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 (%)
3.1299-3.2417	0.3758	140	0.3399	2655	X-RAY DIFFRACTION	99
3.2417-3.3714	0.3478	142	0.3017	2684	X-RAY DIFFRACTION	100
3.3714-3.5247	0.2967	141	0.2575	2665	X-RAY DIFFRACTION	99
3.5247-3.7103	0.316	142	0.2366	2694	X-RAY DIFFRACTION	99
3.7103-3.9425	0.254	143	0.2184	2715	X-RAY DIFFRACTION	99
3.9425-4.2464	0.2491	142	0.199	2693	X-RAY DIFFRACTION	99
4.2464-4.6728	0.2218	144	0.1663	2729	X-RAY DIFFRACTION	100
4.6728-5.3469	0.2129	144	0.1711	2734	X-RAY DIFFRACTION	100
5.3469-6.7285	0.2464	147	0.1943	2800	X-RAY DIFFRACTION	100
6.7285-34.7328	0.1901	155	0.1782	2937	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	1.5359	0.147	-0.312	1.0779	-0.4492	2.2656	0.1073	0.0299	-0.3183	0.0863	0.064	-0.6265	-0.2336	0.3727	-0.0956	0.3298	-0.063	0.0232	0.5023	0.006	0.4008	11.9851	16.287	18.3417
2	1.2364	0.1243	-0.1494	2.3914	0.2592	1.3851	0.0818	0.0471	-0.0497	-0.1467	0.0029	-0.1052	-0.2301	0.0981	-0.0065	0.3272	-0.0271	0.1095	0.2154	0.0475	0.419	5.4147	22.7095	12.2033
3	1.6467	-1.4961	-0.4078	1.842	0.3164	1.7362	0.3846	-0.0905	0.8497	0.3207	0.1473	-0.0431	-1.2128	-0.4019	-0.057	1.0796	0.3009	0.1595	0.5564	0.0739	0.4862	-1.5356	31.5267	18.4728
4	2.6373	1.9008	1.1191	2.5975	1.0391	2.8643	0.1351	0.2587	-0.3537	-0.3285	0.1434	-0.6291	-0.7414	0.6546	-0.0948	0.6684	-0.1256	0.2193	0.4397	-0.0057	0.5879	7.4826	30.7777	8.4703
5	0.2797	-0.2576	-0.0691	0.6514	0.242	0.0773	0.1755	-0.2448	0.2716	0.6923	0.398	0.3087	-0.7774	0.0698	0.119	0.5261	0.025	0.0949	0.2641	0.0037	0.4129	0.395	27.2046	13.4601
6	1.2491	-0.0088	0.2028	1.3722	0.0088	1.3967	0.1968	0.0424	-0.0516	0.2338	0.0428	-0.3148	-0.5102	0.3179	-0.128	0.3887	-0.0542	0.0685	0.2189	-0.0246	0.3368	9.6583	15.3779	29.3342
7	0.7748	-0.1858	0.6924	1.9454	-0.097	0.667	0.1982	0.1608	0.1086	-0.463	0.1389	-0.2605	-0.434	0.6668	-0.1004	0.3944	-0.1954	0.1264	0.5767	-0.0469	0.3922	16.654	17.6705	26.4958
8	1.6206	-0.8182	2.0711	0.8269	-0.5208	6.7692	0.0252	-0.1061	-0.0329	0.5126	0.3562	0.1837	-0.0934	-0.3844	0.0611	0.4925	-0.155	0.0342	0.1606	0.0354	0.3867	1.0648	18.4609	26.7643
9	2.1214	-0.5345	0.5427	2.7198	0.3041	2.1262	0.3481	0.0576	-0.2043	-0.3894	-0.2559	0.8062	0.4314	-0.7974	0.2705	0.5295	-0.0081	0.0046	0.6335	-0.1498	0.6515	-15.4427	24.333	-11.3644
10	1.8687	0.2336	0.04	1.5629	-0.3256	2.3244	0.0281	-0.2588	-0.3641	0.0865	-0.1304	0.7767	0.2114	-0.4203	0.0408	0.3024	0.0327	0.0561	0.2707	-0.0468	0.427	-13.3261	35.0015	-9.5762
11	1.9699	-0.421	-1.2696	2.4816	0.0783	0.8254	-0.2147	0.3021	0.1889	0.1277	-0.2516	-0.102	-0.1411	0.4661	0.1357	0.3977	-0.0046	0.0591	0.4592	0.0478	0.5877	-1.67	38.7401	-13.2364
12	1.0237	-0.4346	0.259	1.0876	0.0184	2.3228	0.051	-0.1454	-0.1423	-0.4467	-0.4367	0.2138	-0.2424	-0.7427	0.1589	0.5457	0.2094	0.0746	0.4966	-0.0419	0.4485	-13.43	44.3535	-16.1582
13	1.5038	-1.2622	1.0549	1.8483	-0.0734	1.4006	-0.3816	-0.3544	-0.1252	0.1499	0.174	0.0481	0.033	-0.4265	0.0303	0.5106	-0.0035	0.1519	0.2984	0.1347	0.4696	-4.5167	26.3441	-1.922
14	0.6512	0.3293	0.478	0.8554	0.3469	2.1201	0.123	-0.0406	-0.2526	-0.0085	0.0453	0.179	0.7751	-0.8509	0.026	0.3508	0.0488	0.0335	0.3302	-0.0385	0.5531	-7.0762	16.8273	-15.5362
15	0.7431	0.4661	-1.1471	1.1261	0.1241	2.6789	0.3104	0.6259	-0.4565	-0.2056	-0.4172	0.2548	0.7167	-0.6403	0.0245	0.4105	0.0773	0.0027	0.4494	-0.0684	0.6293	-11.0602	17.8881	-17.76
16	2.9309	-1.8631	0.5576	5.9801	0.1328	0.4907	0.1445	-0.2232	0.3053	0.0865	0.2438	-0.3757	-0.4333	-0.0159	-0.2642	0.508	0.0044	0.1244	0.5055	0.1322	0.3988	-2.315	26.9483	-5.9821
17	0.924	0.6668	-0.078	0.7437	0.015	1.3248	-0.0708	-0.2119	-0.2131	0.2311	0.1244	0.468	0.166	-0.9344	0.0114	0.3772	-0.0877	-0.0423	0.398	0.0904	0.5172	-18.9896	-5.2899	37.0579
18	1.6408	0.2367	-0.0344	0.3929	0.5478	1.4291	-0.1429	0.4379	0.2786	-0.0217	-0.0563	-0.2372	-0.3036	-0.9408	-0.2301	0.1149	0.2664	-0.0732	0.7952	0.1097	0.3292	-21.4506	4.3676	25.5355
19	1.1438	-0.1596	0.7644	2.615	-1.4998	1.953	-0.2562	0.8458	0.2867	0.4395	0.0685	-0.224	-0.6085	-0.5139	-0.0984	0.1803	0.1009	0.0889	0.5408	0.0074	0.3659	-16.0626	9.1048	25.4073
20	0.8508	0.9231	0.5515	1.99	-0.4475	1.5585	0.193	0.5592	-0.3844	-0.7794	0.3587	0.481	-0.3122	-0.6441	-0.1544	0.6948	0.0033	-0.1462	1.1637	0.0507	0.5668	-18.8863	4.3448	13.2791
21	3.6456	-0.6029	0.8745	1.2601	0.1618	0.2887	-0.1051	0.0516	0.7909	0.1103	0.2996	0.0781	-0.4563	-0.4244	0.12	0.2871	0.4235	0.028	0.9059	0.1764	0.4664	-17.2764	13.673	22.755
22	2.0208	0.8294	0.183	0.9008	-0.798	1.4324	-0.0881	0.626	0.1025	-1.0542	0.2974	0.0499	0.1692	-0.5999	0.1585	0.4998	0.1896	-0.0908	0.4278	0.1547	0.2795	-15.9972	9.8342	19.2158
23	2.3186	0.9877	0.2518	1.5244	-0.8595	1.1148	-0.2208	0.8979	-0.4381	-0.6146	0.5188	0.0535	0.8883	-0.758	-0.854	0.3167	-0.1767	-0.1525	0.8136	0.025	0.3986	-25.4704	-9.452	26.3537
24	0.0771	-0.0478	-0.0741	0.063	0.0449	0.0917	-0.1421	0.1972	0.0589	-0.0987	-0.1022	0.2231	-0.0657	-0.2595	-0.388	0.5464	-0.3728	-0.3448	1.2803	0.1616	0.622	-36.0963	-10.2928	23.2123
25	0.482	-0.1156	0.0601	1.3107	1.2175	1.5227	-0.4102	0.4023	-0.2848	0.2361	0.1535	-0.574	0.3019	-0.6307	0.1333	0.2864	-0.1057	0.0256	0.7247	-0.0213	0.5214	-26.1786	-10.4591	32.5231
26	1.5531	0.5578	-0.2384	0.4692	-0.4148	0.9763	0.0588	0.5767	0.0878	-0.0104	0.1311	0.2642	0.025	-1.3174	-0.0263	0.3827	-0.0367	-0.084	0.9528	-0.0176	0.4457	-27.9705	-5.5167	27.9802
27	0.5819	0.2488	-0.3043	0.8064	-0.054	1.1082	0.3007	-0.4186	0.3343	0.0523	-0.3161	-0.2028	-0.1048	-0.2458	0.0089	0.5526	0.134	0.1784	0.5232	-0.0681	0.4632	-13.1546	62.614	4.2044
28	2.3302	0.5579	0.1118	1.423	-0.8384	1.3616	-0.1435	0.2275	0.1168	-0.6317	-0.1206	0.8681	0.2904	-0.5413	0.1134	0.794	0.3838	0.1118	0.6846	0.0235	0.757	-20.9498	64.7067	-8.7065
29	0.4699	-0.3669	-0.0479	1.7022	0.0631	0.6641	0.023	-0.4045	0.3821	-0.2196	0.1659	-0.0285	-0.2371	-0.3141	1.0156	0.605	0.7063	0.3154	0.2603	-0.3381	0.4663	-13.0806	70.2642	-4.9998
30	1.4303	0.6806	0.5108	2.1605	0.1522	1.89	0.0806	-0.0478	-0.0579	0.5781	0.2063	0.1334	-0.382	-1.1918	-0.0665	0.6944	0.0332	-0.0278	0.7153	-0.0637	0.4696	-17.7266	45.5024	2.5238
31	0.5013	-0.1652	-0.2585	0.1234	0.3027	0.6995	0.056	-0.5421	0.0005	0.4153	0.4273	0.3342	-0.4117	-0.5744	0.6523	0.4867	0.5999	0.4231	0.9577	-0.2316	0.2446	-27.1454	59.0042	9.9213
32	0.0447	0.1262	0.0372	0.3981	0.1115	0.0453	0.6996	-0.0455	0.3946	0.5835	-0.5984	0.7195	-0.1967	-0.7575	-0.0197	0.6972	0.1016	0.2231	1.7316	-0.0419	0.9093	-32.8856	55.0621	10.3273
33	2.1066	0.3786	0.9336	1.6889	-0.4718	0.9953	-0.1884	-0.6064	-0.0113	0.8385	-0.5811	0.8013	0.2927	-0.7498	0.4455	0.6856	0.1081	0.2077	0.7813	-0.1044	0.4504	-21.8056	55.4505	13.4024
34	1.2077	1.0468	0.0427	1.4439	-0.5365	0.6258	-0.0786	-0.3244	0.1316	0.3115	-0.059	0.4744	-0.0777	-0.5742	1.2172	0.4037	0.5165	0.184	0.4616	-0.3671	0.4056	-22.1635	52.4659	0.4539
35	0.6112	0.6352	0.6811	1.2547	-0.0217	2.3244	0.1583	0.3721	-0.0747	-0.6301	0.5439	-0.6133	0.0638	1.26	-0.2479	0.6196	-0.4278	0.1269	1.2785	-0.4768	0.8413	1.1495	61.7101	19.6985
36	0.7888	0.6803	1.1822	2.8126	0.9606	1.7883	0.1103	0.7694	0.0432	-0.2171	0.9062	-1.9692	-0.4369	1.7102	-0.0298	0.6518	-0.4533	0.203	2.2276	-0.6518	1.0593	13.8978	65.9905	20.5675
37	1.5837	-1.3237	-0.526	1.6241	1.0777	2.0621	0.0568	-0.0191	-0.0662	0.1831	0.549	-0.671	0.2714	1.4053	-0.2132	0.5062	-0.1622	-0.051	1.103	-0.3532	0.6363	4.1475	59.5564	24.938
38	0.9288	0.0859	-0.0694	1.6047	-0.3238	0.8133	-0.3361	0.3673	-0.0063	-0.2636	1.0649	-0.5089	0.3748	1.1288	-0.3564	0.9191	0.1676	-0.1707	0.8572	-0.3583	0.7195	0.438	54.9162	27.5134

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 24 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 25 through 56 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 57 through 78 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 79 through 95 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 96 through 121 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 122 through 181 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 182 through 201 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 202 through 215 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 1 through 24 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 25 through 56 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 57 through 77 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 78 through 107 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 108 through 132 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 133 through 181 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 182 through 204 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 205 through 215 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 1 through 16 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 17 through 40 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 41 through 56 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 57 through 78 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 79 through 94 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 95 through 118 )
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 119 through 149 )
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 150 through 161 )
25	X-RAY DIFFRACTION	25	chain 'C' and (resid 162 through 181 )
26	X-RAY DIFFRACTION	26	chain 'C' and (resid 182 through 215 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 1 through 56 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 57 through 77 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 78 through 118 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 119 through 132 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 133 through 148 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 149 through 161 )
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 162 through 201 )
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 202 through 215 )
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 1 through 42 )
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 43 through 78 )
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 79 through 181 )
38	X-RAY DIFFRACTION	38	chain 'E' and (resid 182 through 215 )

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