PDB-6wuz: Crystal Structure of Recombinant Human Acetylcholinesterase Inhib...

ID or keywords:

Entry

Database: PDB / ID: 6wuz

Title

Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GB

Components

Acetylcholinesterase

Keywords

HYDROLASE / nerve agent / acetylcholinesterase / tabun / GA

Function / homology

Function and homology information

negative regulation of synaptic transmission, cholinergic / Neurotransmitter clearance / acetylcholine catabolic process in synaptic cleft / cholinesterase activity / serine hydrolase activity / acetylcholine catabolic process / acetylcholine binding / amyloid precursor protein metabolic process / acetylcholinesterase / acetylcholine receptor signaling pathway ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.253 Å

Authors

McGuire, J.R. / Bester, S.M. / Pegan, S.D. / Height, J.J.

Funding support

United States, 1items

Citation

Journal: Chem.Res.Toxicol. / Year: 2021
Title: Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6.
Authors: McGuire, J.R. / Bester, S.M. / Guelta, M.A. / Cheung, J. / Langley, C. / Winemiller, M.D. / Bae, S.Y. / Funk, V. / Myslinski, J.M. / Pegan, S.D. / Height, J.J.

History

Deposition	May 5, 2020	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 24, 2021	Provider: repository / Type: Initial release
Revision 1.1	Mar 31, 2021	Group: Database references / Category: citation / citation_author Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.2	Oct 18, 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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PDBx/mmCIF format	6wuz.cif.gz	449.1 KB	Display	PDBx/mmCIF format
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Validation report

Summary document	6wuz_validation.pdf.gz	2.3 MB	Display	wwPDB validaton report
Full document	6wuz_full_validation.pdf.gz	2.4 MB	Display
Data in XML	6wuz_validation.xml.gz	47.1 KB	Display
Data in CIF	6wuz_validation.cif.gz	69.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/wu/6wuz ftp://data.pdbj.org/pub/pdb/validation_reports/wu/6wuz	HTTPS FTP

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Related structure data

Related structure data	6wuvC 6wuyC 6wv1C 6wvcC 6wvoC 6wvpC 6wvqC 4ey4S C: citing same article (ref.) S: Starting model for refinement
Similar structure data	6cqu-1 5fpq-2 2xud-d 6ntn-1 5hq3-d 2wls-d 6wvp-1 6o5s-2 4ey7-d 6wvc-1 3dl4-d 2vja-d 6nea-1 2xi4-d 4b80-d 6cqy-1 2j3d-1 5ov9-d 4b85-d 2whp-d 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	#54 - Jun 2004 Acetylcholinesterase similarity (15) #194 - Feb 2016 Designer Insulins similarity (1) #52 - Apr 2004 Growth Hormone similarity (1) #141 - Sep 2011 O-GlcNAc Transferase similarity (1) #14 - Feb 2001 Insulin similarity (1) #184 - Apr 2015 Glucagon similarity (1) #149 - May 2012 Leptin similarity (1) #202 - Oct 2016 Dipeptidyl Peptidase 4 similarity (1) #222 - Jun 2018 Proteins and Nanoparticles similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#54 - Jun 2004
Acetylcholinesterase
similarity (15)
#194 - Feb 2016
Designer Insulins
similarity (1)
#52 - Apr 2004
Growth Hormone
similarity (1)
#141 - Sep 2011
O-GlcNAc Transferase
similarity (1)
#14 - Feb 2001
Insulin
similarity (1)
#184 - Apr 2015
Glucagon
similarity (1)
#149 - May 2012
Leptin
similarity (1)
#202 - Oct 2016
Dipeptidyl Peptidase 4
similarity (1)
#222 - Jun 2018
Proteins and Nanoparticles
similarity (1)

Deposited unit

A: Acetylcholinesterase

B: Acetylcholinesterase

hetero molecules

121 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

B: Acetylcholinesterase

hetero molecules

A: Acetylcholinesterase

hetero molecules

defined by author&software
121 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	104.944, 104.944, 323.310
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	152
Space group name H-M	P3₁21

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Protein , 1 types, 2 molecules AB

#1: Protein	Acetylcholinesterase / AChE Mass: 59447.105 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: ACHE / Production host: Homo sapiens (human) / References: UniProt: P22303, acetylcholinesterase

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Sugars , 2 types, 4 molecules

#2: Polysaccharide

2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta- ...

Type: oligosaccharide / Mass: 570.542 Da / Num. of mol.: 3 / Source method: obtained synthetically

Descriptor	Type	Program
DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-	Glycam Condensed Sequence	GMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-1-2/a4-b1_a6-c1	WURCS	PDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}[(6+1)][a-L-Fucp]{}}}	LINUCS	PDB-CARE

#5: Sugar

ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE

Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₈H₁₅NO₆

Identifier	Type	Program
DGlcpNAcb	CONDENSED IUPAC CARBOHYDRATE SYMBOL	GMML 1.0
N-acetyl-b-D-glucopyranosamine	COMMON NAME	GMML 1.0
b-D-GlcpNAc	IUPAC CARBOHYDRATE SYMBOL	PDB-CARE 1.0
GlcNAc	SNFG CARBOHYDRATE SYMBOL	GMML 1.0

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Non-polymers , 3 types, 797 molecules

#3: Chemical	ChemComp-UCJ / propan-2-yl hydrogen (S)-methylphosphonate Mass: 138.102 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Formula: C₄H₁₁O₃P / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-7PE / 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL / POLYETHYLENE GLYCOL FRAGMENT Mass: 310.384 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₄H₃₀O₇
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 794 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	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: 4.32 Å³/Da / Density % sol: 71.55 % / Mosaicity: 0.436 °
Crystal grow	Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 7 / Details: PEG 3350, KNO3

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 22-ID / Wavelength: 1 Å

Detector

Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jul 16, 2016

Radiation

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

Radiation wavelength

Wavelength: 1 Å / Relative weight: 1

Reflection

Resolution: 2.25→50 Å / Num. obs: 95341 / % possible obs: 96.7 % / Redundancy: 6.5 % / B_iso Wilson estimate: 32.72 Å² / R_merge(I) obs: 0.083 / R_pim(I) all: 0.035 / R_rim(I) all: 0.09 / Χ²: 1.798 / Net I/σ(I): 11.8 / Num. measured all: 624009

Reflection shell

Diffraction-ID: 1

Resolution (Å)	Redundancy (%)	R_merge(I) obs	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	Χ²	% possible all
2.25-2.29	4.4	0.519	3657	0.872	0.259	0.583	1.112	75.2
2.29-2.33	4.7	0.403	3869	0.926	0.194	0.45	0.943	79.2
2.33-2.38	4.9	0.384	4226	0.936	0.181	0.427	0.98	87
2.38-2.42	5.2	0.342	4523	0.95	0.156	0.377	1.008	93.4
2.42-2.48	5.8	0.307	4828	0.969	0.136	0.336	1.057	99.1
2.48-2.53	7	0.279	4846	0.976	0.113	0.302	1.09	100
2.53-2.6	7.1	0.242	4893	0.982	0.097	0.261	1.115	100
2.6-2.67	7.1	0.224	4878	0.984	0.09	0.242	1.278	100
2.67-2.75	7.1	0.189	4937	0.988	0.077	0.204	1.296	100
2.75-2.83	7.1	0.159	4899	0.99	0.064	0.172	1.286	100
2.83-2.94	7.1	0.134	4833	0.993	0.055	0.145	1.393	100
2.94-3.05	7.1	0.113	4908	0.994	0.046	0.122	1.531	100
3.05-3.19	7.1	0.099	4920	0.995	0.041	0.107	1.767	100
3.19-3.36	7	0.089	4939	0.995	0.037	0.096	2.192	100
3.36-3.57	6.9	0.082	4917	0.995	0.034	0.089	2.664	99.9
3.57-3.85	6.9	0.069	4967	0.997	0.029	0.075	2.924	100
3.85-4.23	6.9	0.058	4947	0.997	0.024	0.062	2.861	99.9
4.23-4.85	6.8	0.054	5008	0.997	0.022	0.058	2.976	99.8
4.85-6.1	6.8	0.052	5072	0.998	0.021	0.056	2.693	99.9
6.1-50	6.6	0.038	5274	0.999	0.016	0.041	2.209	98.9

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Processing

Software

Name	Version	Classification
PHENIX	1.11.1_2575	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PDB_EXTRACT	3.25	data extraction
PHENIX	1.17.1-3660	phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 4EY4

4ey4

Resolution: 2.253→41.175 Å / SU ML: 0.19 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 20.16 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.1903	4730	4.97 %
R_work	0.1679	90502	-
obs	0.1691	95232	96.59 %

Solvent computation

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

Displacement parameters

B_iso max: 122.35 Å² / B_iso mean: 38.8244 Å² / B_iso min: 16.62 Å²

Refinement step

Cycle: final / Resolution: 2.253→41.175 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8248	0	163	794	9205
B_iso mean	-	-	87.1	48.82	-
Num. residues	-	-	-	-	1060

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.005	8772
X-RAY DIFFRACTION	f_angle_d	0.816	12004
X-RAY DIFFRACTION	f_chiral_restr	0.048	1300
X-RAY DIFFRACTION	f_plane_restr	0.005	1572
X-RAY DIFFRACTION	f_dihedral_angle_d	5.146	6969

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	% reflection obs (%)
2.2531-2.2787	0.2633	129	0.2336	2231	72
2.2787-2.3055	0.2218	116	0.2266	2421	80
2.3055-2.3336	0.2613	128	0.2162	2460	79
2.3336-2.3631	0.2321	145	0.2147	2625	87
2.3631-2.3942	0.2493	124	0.21	2800	88
2.3942-2.427	0.2497	133	0.1998	2918	95
2.427-2.4617	0.2322	155	0.1907	3028	99
2.4617-2.4984	0.2584	151	0.1885	3099	100
2.4984-2.5375	0.1857	153	0.1773	3074	100
2.5375-2.5791	0.1956	187	0.1782	3071	100
2.5791-2.6235	0.1936	150	0.1785	3146	100
2.6235-2.6712	0.2396	173	0.1792	3051	100
2.6712-2.7226	0.1936	154	0.178	3088	100
2.7226-2.7782	0.2109	150	0.1804	3115	100
2.7782-2.8385	0.2024	170	0.18	3120	100
2.8385-2.9046	0.2048	148	0.1828	3080	100
2.9046-2.9772	0.1961	167	0.1836	3097	100
2.9772-3.0577	0.2216	157	0.181	3102	100
3.0577-3.1476	0.2224	184	0.175	3107	100
3.1476-3.2492	0.2323	138	0.18	3135	100
3.2492-3.3652	0.1889	192	0.1674	3096	100
3.3652-3.4999	0.195	176	0.1734	3148	100
3.4999-3.6591	0.1956	192	0.1647	3053	100
3.6591-3.8519	0.1789	173	0.1461	3130	100
3.8519-4.093	0.1358	173	0.1371	3138	100
4.093-4.4087	0.1391	151	0.1303	3177	100
4.4087-4.8517	0.1588	168	0.1271	3157	100
4.8517-5.5523	0.179	171	0.1495	3203	100
5.5523-6.9898	0.1844	154	0.1765	3266	100
6.9898-41.175	0.1757	168	0.1845	3366	99

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	2.3709	-2.3406	0.4302	5.3657	1.0347	1.5969	-0.269	-0.4383	0.0946	0.8745	0.252	-0.1864	-0.099	0.2678	0.0575	0.4797	-0.0956	-0.0221	0.3548	0.0074	0.2118	54.8784	55.0355	381.1002
2	1.5264	-0.1315	0.4742	0.7109	0.2993	1.6994	0.0392	-0.1048	0.0016	0.2659	-0.1276	0.1295	0.0524	-0.3492	0.1062	0.2289	-0.0704	0.0503	0.2766	-0.031	0.1986	41.6629	59.568	365.7196
3	1.5186	-0.77	-0.1449	2.4626	-0.3608	2.3384	0.0274	-0.2081	-0.0932	0.4014	-0.066	-0.014	0.1715	-0.1057	0.0601	0.2647	-0.0966	-0.011	0.2204	-0.0121	0.1844	50.9959	52.3965	367.6335
4	4.8783	-1.556	2.8574	1.1147	-0.8443	3.7631	0.0604	0.1953	0.3239	0.1272	-0.1359	-0.1555	-0.2233	0.1692	0.093	0.1861	-0.0657	0.0168	0.1597	-0.0109	0.2274	50.3977	64.1043	359.9752
5	0.3282	-0.6736	0.0049	1.9637	0.0588	3.6383	0.0963	-0.0392	0.1554	0.0747	-0.0704	-0.3509	-0.1818	0.4122	-0.024	0.1416	-0.0527	-0.0176	0.2457	-0.0006	0.2591	59.9583	57.3197	355.9574
6	1.8947	-1.5606	-0.0111	3.5742	-0.4312	2.35	0.1997	0.4965	0.1562	-0.2077	-0.2997	-0.0104	-0.1409	-0.3956	0.08	0.1726	0.0066	-0.0086	0.3583	-0.0011	0.2022	40.2244	61.5295	343.5774
7	3.3743	-2.5693	-1.3908	3.2292	1.7282	1.9102	0.0719	0.2185	0.0517	-0.1913	-0.2409	0.2406	-0.1143	-0.338	0.2136	0.2011	0.0051	-0.0158	0.3922	-0.0064	0.2578	32.013	63.3027	349.4984
8	2.1455	-0.6687	-0.3714	1.6154	-0.2014	0.805	0.1928	0.3076	0.4461	-0.025	-0.2407	-0.4182	-0.2285	0.2084	0.0355	0.2582	-0.063	0.0103	0.4092	0.0837	0.2818	57.5751	59.0525	345.2995
9	0.9062	0.4292	0.716	0.7548	0.344	3.2328	0.0853	0.0369	-0.1467	0.0471	-0.1144	0.0248	0.3739	-0.3249	0.0205	0.2383	-0.0353	0.0285	0.2516	-0.0447	0.2397	45.8908	38.9218	344.3743
10	2.3677	0.1353	-0.5563	1.8909	-0.3459	5.5964	0.0106	-0.0511	-0.2298	0.0591	-0.0837	-0.2405	0.4323	0.5476	0.0943	0.1875	0.0539	-0.0311	0.2571	0.0101	0.2719	64.8228	39.031	356.291
11	1.2957	0.5596	0.4572	1.0405	-1.0117	8.7821	-0.0509	0.1535	-0.0473	-0.2216	-0.0669	-0.1793	0.1963	0.0939	0.1237	0.2427	0.0096	0.0013	0.2723	-0.0665	0.2342	56.4919	41.686	337.4681
12	3.4513	1.0701	0.1351	2.8425	-0.3248	3.5687	0.2052	-0.3751	-0.2528	0.3254	-0.0837	0.2674	0.5452	-0.482	-0.1127	0.4135	0.0153	0.0972	0.3511	-0.0306	0.2417	-14.1837	53.2791	368.9989
13	1.365	0.7238	-1.1528	0.6031	-0.1185	3.5138	0.0404	-0.2478	0.1241	0.1036	0.0361	0.0541	-0.0846	-0.0954	-0.0695	0.2315	0.0064	0.0394	0.3102	-0.0615	0.2714	-5.5556	65.7877	362.0676
14	3.0119	0.2145	-0.9195	1.7663	-0.3305	2.692	-0.0943	-0.1188	0.0705	0.0574	0.0438	0.2848	0.2853	-0.4333	0.0181	0.208	-0.0284	0.052	0.2912	-0.0081	0.168	-11.8713	57.1338	357.9984
15	4.9038	3.9105	-0.8085	4.8039	-0.1138	2.4155	-0.0184	-0.2421	-0.1599	0.1089	-0.0625	-0.1665	0.4099	0.3561	0.0526	0.2569	0.0896	0.042	0.2869	-0.0207	0.1664	1.4073	54.98	360.3526
16	1.4695	0.6033	-0.3561	1.386	0.6182	2.3942	-0.1047	0.0032	-0.1069	0.0488	0.0949	-0.1705	0.3228	0.2138	0.0057	0.2076	0.0595	0.0312	0.2856	-0.0082	0.2046	4.5118	56.6616	350.6048
17	1.0916	0.3951	0.7302	1.9367	0.5069	7.5375	0.0198	-0.1227	0.2873	0.0525	-0.0674	-0.1068	-0.3628	0.6695	0.0833	0.2582	-0.0227	0.042	0.4269	-0.094	0.3197	11.7223	73.9005	358.0921
18	2.4108	1.1593	0.8206	1.286	0.6142	2.015	-0.0867	0.0703	-0.5727	0.0737	0.1653	-0.3619	0.4874	0.4966	-0.0862	0.339	0.0786	0.0968	0.4165	-0.0437	0.3458	7.5546	51.363	345.0213
19	3.3199	0.3391	-1.3754	2.6457	-0.4273	4.154	0.1238	-0.0485	0.2134	0.027	0.0125	0.134	-0.4252	-0.1003	-0.1581	0.2567	0.049	0.0212	0.2308	0.023	0.2108	2.3974	75.4004	332.6203
20	1.5314	0.2048	-0.8496	1.5424	-0.8269	2.7074	0.0017	0.2384	0.0581	-0.0959	0.0176	0.0685	0.0005	-0.2668	-0.0243	0.2196	0.0021	0.0122	0.3269	-0.0267	0.1999	-3.4569	63.7152	331.8599
21	2.4658	1.9184	-0.0546	4.0064	-2.0603	2.7652	0.0178	-0.0861	0.2083	-0.142	-0.0702	0.1765	0.0331	-0.3883	-0.03	0.2539	-0.0277	-0.0149	0.4485	-0.0524	0.2755	-17.78	64.8973	343.7061
22	2.3995	-0.8532	-1.4883	2.0422	0.9029	2.7608	-0.1935	0.4253	-0.3059	-0.0777	0.0217	0.2298	0.4282	-0.4969	0.1722	0.3507	-0.1669	0.0175	0.425	-0.0776	0.2998	-14.8088	48.9583	337.5267
23	4.6092	1.4989	-3.8481	1.9702	-0.9198	3.6943	0.0202	-0.1545	0.1028	-0.0631	-0.1233	-0.0287	0.4269	-0.1562	0.1199	0.312	-0.007	0.0388	0.3035	-0.0027	0.1866	1.0966	58.2988	328.4215

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 4 through 32 )	A	4 - 32
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 33 through 86 )	A	33 - 86
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 87 through 142 )	A	87 - 142
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 143 through 190 )	A	143 - 190
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 191 through 228 )	A	191 - 228
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 229 through 254 )	A	229 - 254
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 255 through 298 )	A	255 - 298
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 299 through 331 )	A	299 - 331
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 332 through 466 )	A	332 - 466
10	X-RAY DIFFRACTION	10	chain 'A' and (resid 467 through 513 )	A	467 - 513
11	X-RAY DIFFRACTION	11	chain 'A' and (resid 514 through 542 )	A	514 - 542
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 3 through 45 )	B	3 - 45
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 46 through 86 )	B	46 - 86
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 87 through 142 )	B	87 - 142
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 143 through 190 )	B	143 - 190
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 191 through 255 )	B	191 - 255
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 256 through 298 )	B	256 - 298
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 299 through 331 )	B	299 - 331
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 332 through 382 )	B	332 - 382
20	X-RAY DIFFRACTION	20	chain 'B' and (resid 383 through 440 )	B	383 - 440
21	X-RAY DIFFRACTION	21	chain 'B' and (resid 441 through 466 )	B	441 - 466
22	X-RAY DIFFRACTION	22	chain 'B' and (resid 467 through 513 )	B	467 - 513
23	X-RAY DIFFRACTION	23	chain 'B' and (resid 514 through 542 )	B	514 - 542

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