PDB-5vqm: Clostridium difficile TcdB-GTD bound to PA41 Fab

ID or keywords:

Entry

Database: PDB / ID: 5vqm

Title

Clostridium difficile TcdB-GTD bound to PA41 Fab

Components

PA41 FAB HEAVY CHAIN
PA41 FAB LIGHT CHAIN
Toxin B

Keywords

TOXIN/IMMUNE SYSTEM / toxin antibody / TOXIN-IMMUNE SYSTEM complex

Function / homology

Function and homology information

host cell cytosol / glycosyltransferase activity / : / cysteine-type peptidase activity / immunoglobulin complex, circulating / immunoglobulin receptor binding / host cell endosome membrane / complement activation, classical pathway / antigen binding / toxin activity ...
Similarity search - Function

Biological species

Peptoclostridium difficile (bacteria)

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.79 Å

Authors

Kroh, H.K. / Spiller, B.W. / Lacy, D.B.

Funding support

United States, 1items

Citation

Journal: J. Biol. Chem. / Year: 2018
Title: A neutralizing antibody that blocks delivery of the enzymatic cargo of Clostridium difficile toxin TcdB into host cells.
Authors: Kroh, H.K. / Chandrasekaran, R. / Zhang, Z. / Rosenthal, K. / Woods, R. / Jin, X. / Nyborg, A.C. / Rainey, G.J. / Warrener, P. / Melnyk, R.A. / Spiller, B.W. / Lacy, D.B.

History

Deposition	May 9, 2017	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Dec 6, 2017	Provider: repository / Type: Initial release
Revision 1.1	Jan 31, 2018	Group: Database references / Category: citation Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.year
Revision 1.2	Dec 11, 2019	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.3	Oct 4, 2023	Group: Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	5vqm.cif.gz	1.1 MB	Display	PDBx/mmCIF format
PDB format	pdb5vqm.ent.gz	940.7 KB	Display	PDB format
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Validation report

Summary document	5vqm_validation.pdf.gz	475.6 KB	Display	wwPDB validaton report
Full document	5vqm_full_validation.pdf.gz	496.1 KB	Display
Data in XML	5vqm_validation.xml.gz	62.8 KB	Display
Data in CIF	5vqm_validation.cif.gz	85.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/vq/5vqm ftp://data.pdbj.org/pub/pdb/validation_reports/vq/5vqm	HTTPS FTP

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Related structure data

Related structure data	2bvmS 3l5xS S: Starting model for refinement
Similar structure data	7k9z-d 4qjh-d 5w1k-4 5w1k-3 6wj2-d 1djx-d 1djw-d 6u38-d 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

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#21 - Sep 2001 Antibodies similarity (2) #138 - Jun 2011 Glucansucrase similarity (4) #256 - Apr 2021 SARS-CoV-2 Spike and Antibodies similarity (1) #156 - Dec 2012 ABO Blood Type Glycosyltransferases similarity (1) #254 - Feb 2021 Cellulose Synthase similarity (1)

Deposited unit

A: Toxin B

L: PA41 FAB LIGHT CHAIN

H: PA41 FAB HEAVY CHAIN

B: Toxin B

C: PA41 FAB LIGHT CHAIN

D: PA41 FAB HEAVY CHAIN

223 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Toxin B

L: PA41 FAB LIGHT CHAIN

H: PA41 FAB HEAVY CHAIN

defined by author
Evidence: gel filtration
112 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

B: Toxin B

C: PA41 FAB LIGHT CHAIN

D: PA41 FAB HEAVY CHAIN

defined by author
112 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	96.130, 251.740, 224.450
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	20
Space group name H-M	C222₁

#1: Protein	Toxin B Mass: 64535.160 Da / Num. of mol.: 2 / Fragment: TcdB glucosyltransferase domain residues 1-544 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Peptoclostridium difficile (bacteria) / Strain: R20291 / Gene: tcdB, CDR20291_0582 / Plasmid: pHis1622 / Production host: Bacillus megaterium (bacteria) / References: UniProt: C9YJ35
#2: Antibody	PA41 FAB LIGHT CHAIN Mass: 23388.027 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Cricetulus griseus (Chinese hamster) / References: UniProt: Q8TCD0
#3: Antibody	PA41 FAB HEAVY CHAIN Mass: 23763.766 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Cricetulus griseus (Chinese hamster) / References: UniProt: S6B291
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 146 / 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: 3.05 Å³/Da / Density % sol: 59.68 %
Crystal grow	Temperature: 294 K / Method: vapor diffusion, hanging drop / pH: 5.5 / Details: 0.1 M Bis-Tris pH 5.5 1 M NaCl 11% PEG3350

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å
Detector	Type: RAYONIX MX-225 / Detector: CCD / Date: Feb 11, 2015
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97872 Å / Relative weight: 1
Reflection	Resolution: 2.79→60.85 Å / Num. obs: 68012 / % possible obs: 99.9 % / Redundancy: 8.5 % / CC_1/2: 0.996 / R_merge(I) obs: 0.161 / Net I/σ(I): 7.5
Reflection shell	Resolution: 2.79→2.84 Å / Redundancy: 6.3 % / R_merge(I) obs: 1.526 / Num. unique obs: 3378 / CC_1/2: 0.569 / % possible all: 99.9

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Processing

Software

Name	Version	Classification
PHENIX	(1.12_2829)	refinement
xia2		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 2BVM, 3L5X

2bvm

3l5x

Resolution: 2.79→60.849 Å / SU ML: 0.49 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 35.94 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2916	2500	3.68 %
R_work	0.2405	-	-
obs	0.2424	67920	99.8 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 2.79→60.849 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	15152	0	0	146	15298

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.002	15468
X-RAY DIFFRACTION	f_angle_d	0.455	20958
X-RAY DIFFRACTION	f_dihedral_angle_d	11.243	9384
X-RAY DIFFRACTION	f_chiral_restr	0.039	2338
X-RAY DIFFRACTION	f_plane_restr	0.003	2700

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 (%)
2.79-2.8437	0.4666	138	0.4138	3604	X-RAY DIFFRACTION	100
2.8437-2.9017	0.4201	137	0.3681	3580	X-RAY DIFFRACTION	100
2.9017-2.9648	0.3386	137	0.3362	3589	X-RAY DIFFRACTION	100
2.9648-3.0338	0.4052	138	0.3307	3604	X-RAY DIFFRACTION	100
3.0338-3.1096	0.358	140	0.3287	3611	X-RAY DIFFRACTION	100
3.1096-3.1937	0.3805	136	0.3267	3624	X-RAY DIFFRACTION	100
3.1937-3.2877	0.3836	137	0.3253	3593	X-RAY DIFFRACTION	100
3.2877-3.3938	0.3726	139	0.2918	3599	X-RAY DIFFRACTION	100
3.3938-3.5151	0.3481	138	0.2796	3599	X-RAY DIFFRACTION	100
3.5151-3.6558	0.3206	139	0.262	3619	X-RAY DIFFRACTION	100
3.6558-3.8221	0.2703	138	0.257	3642	X-RAY DIFFRACTION	100
3.8221-4.0236	0.2661	138	0.2352	3621	X-RAY DIFFRACTION	100
4.0236-4.2756	0.2642	139	0.2059	3626	X-RAY DIFFRACTION	100
4.2756-4.6057	0.2287	141	0.189	3669	X-RAY DIFFRACTION	100
4.6057-5.069	0.2298	139	0.1821	3645	X-RAY DIFFRACTION	100
5.069-5.8019	0.2662	141	0.2037	3683	X-RAY DIFFRACTION	100
5.8019-7.3079	0.31	140	0.2248	3709	X-RAY DIFFRACTION	100
7.3079-60.8635	0.2518	145	0.2064	3803	X-RAY DIFFRACTION	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	3.4891	2.9406	-2.468	4.5814	-2.5409	3.89	0.0192	-0.136	-0.5626	0.2436	-0.2657	-0.149	0.2935	0.1949	0.2782	0.625	0.0368	0.0679	0.441	-0.0244	0.7184	19.5575	6.2486	44.5213
2	4.6056	0.0799	3.6204	2.5624	-0.7521	4.2362	-0.101	0.3994	0.4152	-0.7872	0.229	0.3994	0.0252	-0.1224	-0.1156	0.7859	-0.1088	0.0556	0.7722	0.1471	0.6492	22.7493	33.0752	4.9358
3	1.9541	0.368	1.6431	1.2101	0.5508	7.3525	-0.0429	0.1931	-0.1443	-0.8327	-0.0124	-0.2756	0.2692	0.3987	0.0197	0.6865	0.0853	0.117	0.6522	0.0175	0.6006	32.1688	24.9463	14.5338
4	8.5119	-0.1753	3.0399	5.3086	2.4215	3.5086	0.0824	-0.7187	-1.0984	0.0487	0.172	0.1393	0.4787	-0.744	-0.2401	0.4215	-0.2142	-0.021	0.6247	0.1185	0.6425	32.9066	46.9487	38.7592
5	1.5503	1.1029	-0.5963	3.2935	0.5444	0.9539	-0.3395	0.3029	-0.0475	-0.598	0.3051	0.184	0.0842	-0.0581	0.0597	0.5368	-0.1121	-0.013	0.6666	0.125	0.517	25.0074	30.3181	26.5746
6	2.4092	0.7451	0.4729	5.1777	-1.8	7.6046	-0.341	0.7124	0.2593	-0.3199	0.3555	0.6624	-0.2995	-1.0725	-0.0255	0.6432	-0.0736	0.0193	0.8299	0.0403	0.7213	13.5425	22.8837	27.6077
7	1.9027	-3.3824	2.5718	6.5921	-4.549	3.7516	-0.3767	-0.0191	0.0257	0.4238	0.5397	1.1862	-0.9217	-1.2833	-0.2244	0.7508	0.0627	0.0547	1.0204	-0.1243	1.1866	24.2571	40.3235	25.0879
8	4.7769	1.8818	-3.4785	5.7793	0.0437	2.8933	0.0168	-0.7431	1.6142	0.5512	-0.285	1.0059	-0.2916	0.0279	-0.3201	0.4556	-0.1448	0.1367	0.7095	-0.1474	0.6572	51.3905	77.1903	45.3673
9	8.9927	1.3265	-1.4976	6.5028	2.535	5.2175	0.4236	-0.8576	-0.0699	0.0261	-0.4435	-0.1703	0.0554	0.1449	0.0467	0.3547	-0.1532	0.0397	0.6498	0.039	0.3994	51.6833	65.8246	43.1159
10	5.669	3.614	6.124	5.4686	3.1987	7.1862	1.0161	-0.7533	-0.1448	0.554	-0.688	-0.1048	0.3191	-0.0803	-0.2456	0.522	-0.1197	0.1213	0.7827	-0.0031	0.3918	52.8095	69.9783	46.9261
11	4.2517	-0.7235	2.1958	9.3386	0.4634	5.2099	0.3816	-0.2288	0.5445	-0.4172	-0.1397	0.9388	-0.217	-1.2115	-0.5481	0.3267	-0.0219	0.1278	0.7864	-0.0444	0.3785	44.7999	67.7522	33.2712
12	0.5041	0.7235	0.3047	6.302	-1.6648	4.2975	0.0789	0.3742	0.144	0.1482	-0.6514	-0.3681	-0.5312	1.164	0.8041	0.6028	-0.1748	0.0251	0.9612	0.0631	0.6427	73.6523	92.969	34.9664
13	4.9885	2.7384	-3.9843	3.9141	-2.573	6.3651	0.0918	-0.0807	0.303	-0.5094	-0.2518	0.1409	-0.2864	0.643	0.2497	0.557	-0.1346	0.032	0.7151	-0.1015	0.4996	68.3201	94.1978	35.1603
14	4.5812	0.8675	-3.108	6.5035	-2.093	3.2879	-0.0914	1.0953	0.7237	-1.8964	0.1916	-0.5525	-1.1277	0.0219	-0.0595	2.2805	-1.0855	-0.1483	0.6498	0.3196	1.0244	72.8755	101.2652	21.4889
15	1.8243	0.3952	-0.5186	5.6939	-5.4382	5.3959	-0.7086	0.7192	0.421	-1.6141	0.5964	-0.6741	-1.1192	0.6628	0.1291	1.6141	-0.662	0.1981	0.8597	-0.0405	0.9652	72.9154	105.4612	34.5451
16	4.2217	1.2533	-1.7813	0.5097	-0.2009	5.5827	-0.6628	0.5118	-0.8424	-0.6885	0.3025	-1.2072	0.1915	0.4718	0.3864	0.6892	-0.1136	0.2702	0.6165	-0.1026	0.6881	60.3067	59.4702	24.0372
17	8.0936	1.0944	-0.9941	5.3859	-3.8365	6.2653	0.251	-0.0202	-0.4104	-1.4877	-0.1195	0.2925	-0.3019	-0.3446	-0.1179	0.4098	-0.1952	0.0496	0.5952	0.0831	0.5014	50.213	61.1126	24.7112
18	3.8569	2.4149	-0.6334	4.9129	0.2384	2.2886	-0.4405	0.4384	-0.107	-1.2783	0.3841	-0.7124	0.183	0.3978	0.1083	0.6067	-0.11	0.2922	0.6707	-0.0767	0.6486	60.4443	68.3839	22.6834
19	8.7663	0.8294	0.4539	7.4815	1.6605	5.6633	-0.2478	0.4694	-0.4508	-0.9899	0.7036	-1.1636	0.8455	2.4358	-0.3529	0.803	0.1144	0.2546	0.9879	-0.0867	0.6901	76.3234	83.9921	27.4502
20	0.9011	0.0774	1.9171	6.3897	0.0939	3.5273	0.3081	-1.5544	-0.8281	-0.6051	-0.5236	-2.3736	-0.6636	1.4898	-0.1323	0.526	-0.1074	0.0604	2.4977	0.0145	1.4429	87.2409	86.4244	29.5487
21	2.5794	2.6349	2.2815	4.7069	2.3491	3.5333	-0.0118	-0.0418	0.2732	0.3391	-0.0734	0.4132	-0.2535	-0.1404	0.0794	0.4442	0.0094	-0.0457	0.4417	0.1089	0.5722	28.4549	98.9453	44.5422
22	3.1816	0.4248	-0.9432	1.8268	0.1199	4.3973	-0.2912	0.5035	-0.5338	-0.8129	0.1709	0.1112	0.6547	-0.1256	0.1141	1.0486	-0.2919	-0.1549	0.6695	0.0837	0.7255	21.9465	67.922	10.6077
23	4.9764	-0.8906	-0.2051	1.6077	0.2392	2.7751	-0.0871	1.2036	-0.247	-0.9087	0.1637	0.1032	-0.2069	0.3384	-0.1035	1.1597	-0.2069	-0.1123	1.2009	0.0561	0.7765	21.9373	77.9328	2.2828
24	2.4324	1.1276	1.3206	4.2502	-1.3063	2.9028	-0.2241	0.101	0.2472	-0.5248	0.379	0.3912	-0.0718	0.2269	-0.1154	0.3815	-0.1057	-0.0481	0.6258	-0.0636	0.4449	17.6673	71.1442	27.554
25	1.1304	1.4685	0.3424	4.6584	-0.7359	1.1558	-0.3119	0.2821	0.1302	-0.7218	0.3396	0.2142	-0.0544	0.1909	-0.021	0.5486	-0.1223	-0.1282	0.7186	0.0574	0.5474	22.9003	74.8117	26.5793
26	4.3929	-0.788	-4.2806	4.8282	2.7429	4.9741	-0.7452	-0.171	-0.3633	-0.4016	0.7858	-0.562	0.704	1.3295	-0.0262	0.7744	-0.0694	0.0168	0.7852	0.0729	0.6273	35.3112	82.5124	25.7969
27	0.9287	0.3999	1.0895	0.3606	0.2846	1.2639	-0.1049	0.2065	-0.2978	-0.0808	0.3681	-0.5123	0.2098	0.5693	-0.3169	0.573	-0.0946	-0.1175	0.7882	0.2183	1.0609	24.1588	68.2893	28.4737
28	3.3266	2.0131	-4.0949	8.1632	1.0567	7.3129	-0.2381	-0.3843	-0.6299	-0.1771	0.0598	-0.2081	1.2586	-0.3049	-0.1553	0.4868	-0.1523	-0.2295	0.9011	0.2039	0.7007	-3.5156	27.9814	45.3664
29	5.282	0.3003	-1.7296	5.6567	-0.2204	5.6915	0.3856	-0.7581	0.023	0.3259	-0.1334	0.0554	0.0774	-0.3986	-0.2813	0.463	-0.2437	-0.1177	0.6316	0.109	0.5454	-2.5818	38.6942	44.4421
30	5.0268	3.873	-1.6057	5.6626	-1.5992	4.4927	0.0809	-0.1481	0.3472	-0.2901	-0.1314	0.4776	0.0365	-0.0654	0.0394	0.4459	-0.0534	-0.147	0.8288	0.0379	0.5494	-4.2041	35.5078	40.3196
31	4.0887	3.7006	2.8197	3.6796	2.8674	2.2417	0.6652	-0.9463	-0.2339	0.175	-2.0549	-0.3729	-0.1608	0.013	1.2626	0.6127	-0.2001	-0.1249	0.7974	0.1167	0.7298	-16.7409	18.7368	48.3841
32	4.3471	-1.2888	-0.2395	3.1056	1.0325	0.3539	-1.7077	0.5932	0.3836	-1.0688	-0.4773	0.3979	-0.219	-2.3592	1.7339	1.2577	-0.3914	-0.4778	1.3152	-0.1457	1.1424	-32.4807	7.2841	25.1449
33	6.3816	-0.2821	3.6758	9.1469	1.327	3.7573	-0.1242	0.3423	-0.3018	-1.0352	0.1054	0.4481	0.4526	-0.2884	0.0945	0.6265	-0.1568	-0.09	0.8143	0.0888	0.6075	-20.3386	10.9176	35.0779
34	8.6403	1.8644	6.6161	8.8916	5.9359	8.3236	-1.4377	2.2892	-0.7027	-1.3979	0.8122	0.8471	1.709	0.7255	0.3022	1.6238	-0.6899	-0.2469	1.6798	-0.2625	1.1107	-24.6565	3.8568	21.4002
35	4.2936	4.4787	2.7975	5.7032	4.7384	4.4804	-0.7545	1.6023	0.9236	-0.3585	0.2051	1.5624	1.5322	-0.0804	0.7407	1.3522	-0.246	-0.241	0.9979	-0.0465	1.0831	-24.7116	-0.3932	34.3583
36	1.0955	2.2523	1.3119	6.0807	3.1999	7.1484	-0.1879	0.3109	0.6115	-2.9447	-0.6376	1.6422	-1.321	-0.4834	0.6853	1.1324	0.0504	-0.5434	1.4883	0.1315	0.9448	-17.1095	41.5089	20.589
37	5.6162	0.0996	1.7306	1.1224	0.1349	6.4964	-0.3477	0.2628	0.9495	-0.9198	0.4003	0.1895	0.182	-0.2322	-0.0234	0.6512	-0.1758	-0.3701	1.0042	0.2837	0.8062	-6.559	46.5631	25.796
38	4.6438	2.7902	0.9357	2.2071	1.1815	1.4032	-0.4565	0.9365	0.5243	-1.4456	0.3978	0.4732	-0.1015	-0.646	0.1543	1.0569	-0.2371	-0.4204	1.1483	0.3265	0.8525	-9.6033	40.546	21.9688
39	0.3254	-0.1531	0.619	2.1389	-1.2228	1.7574	-0.0801	0.4497	-0.3715	0.4148	0.0619	0.0267	0.161	-0.2029	-0.4674	0.7966	-0.4243	-0.6503	2.1698	0.5966	1.1709	-35.5719	10.1355	29.6029
40	8.669	3.1389	-5.2184	8.6005	1.9952	8.2417	0.3444	0.5793	0.0914	-1.6696	0.2901	1.4143	-1.4481	-2.223	-0.2608	0.9524	-0.0515	-0.4594	1.3674	0.2555	0.9745	-28.7258	21.1408	27.4209
41	7.2225	2.7164	-6.8981	7.8372	-2.32	6.4538	0.6157	-0.9318	0.6695	-0.0251	-0.3554	4.2023	-0.7526	-2.5356	-0.5873	0.7219	-0.3631	-0.0691	2.0121	-0.0545	1.8789	-39.4818	14.9632	36.7786
42	4.2495	4.8486	2.3187	8.1976	1.4918	5.0858	1.2283	-1.5445	0.1563	0.8287	-1.8887	0.6666	0.3271	-0.9047	0.7552	0.9506	-0.0308	-0.3634	1.9375	0.0274	1.4878	-38.3557	20.1304	24.4644

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 2 through 108 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 109 through 217 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 218 through 295 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 296 through 324 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 325 through 438 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 439 through 501 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 502 through 529 )
8	X-RAY DIFFRACTION	8	chain 'L' and (resid 1 through 18 )
9	X-RAY DIFFRACTION	9	chain 'L' and (resid 19 through 61 )
10	X-RAY DIFFRACTION	10	chain 'L' and (resid 62 through 90 )
11	X-RAY DIFFRACTION	11	chain 'L' and (resid 91 through 102 )
12	X-RAY DIFFRACTION	12	chain 'L' and (resid 103 through 128 )
13	X-RAY DIFFRACTION	13	chain 'L' and (resid 129 through 174 )
14	X-RAY DIFFRACTION	14	chain 'L' and (resid 175 through 188 )
15	X-RAY DIFFRACTION	15	chain 'L' and (resid 189 through 214 )
16	X-RAY DIFFRACTION	16	chain 'H' and (resid 1 through 40 )
17	X-RAY DIFFRACTION	17	chain 'H' and (resid 41 through 60 )
18	X-RAY DIFFRACTION	18	chain 'H' and (resid 61 through 141 )
19	X-RAY DIFFRACTION	19	chain 'H' and (resid 142 through 185 )
20	X-RAY DIFFRACTION	20	chain 'H' and (resid 186 through 222 )
21	X-RAY DIFFRACTION	21	chain 'B' and (resid 2 through 108 )
22	X-RAY DIFFRACTION	22	chain 'B' and (resid 109 through 167 )
23	X-RAY DIFFRACTION	23	chain 'B' and (resid 168 through 251 )
24	X-RAY DIFFRACTION	24	chain 'B' and (resid 252 through 324 )
25	X-RAY DIFFRACTION	25	chain 'B' and (resid 325 through 438 )
26	X-RAY DIFFRACTION	26	chain 'B' and (resid 439 through 494 )
27	X-RAY DIFFRACTION	27	chain 'B' and (resid 495 through 529 )
28	X-RAY DIFFRACTION	28	chain 'C' and (resid 1 through 18 )
29	X-RAY DIFFRACTION	29	chain 'C' and (resid 19 through 75 )
30	X-RAY DIFFRACTION	30	chain 'C' and (resid 76 through 102 )
31	X-RAY DIFFRACTION	31	chain 'C' and (resid 103 through 113 )
32	X-RAY DIFFRACTION	32	chain 'C' and (resid 114 through 128 )
33	X-RAY DIFFRACTION	33	chain 'C' and (resid 129 through 174 )
34	X-RAY DIFFRACTION	34	chain 'C' and (resid 175 through 188 )
35	X-RAY DIFFRACTION	35	chain 'C' and (resid 189 through 214 )
36	X-RAY DIFFRACTION	36	chain 'D' and (resid 1 through 17 )
37	X-RAY DIFFRACTION	37	chain 'D' and (resid 18 through 60 )
38	X-RAY DIFFRACTION	38	chain 'D' and (resid 61 through 125 )
39	X-RAY DIFFRACTION	39	chain 'D' and (resid 126 through 141 )
40	X-RAY DIFFRACTION	40	chain 'D' and (resid 142 through 183 )
41	X-RAY DIFFRACTION	41	chain 'D' and (resid 184 through 200 )
42	X-RAY DIFFRACTION	42	chain 'D' and (resid 201 through 222 )

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