PDB-8bcj: Crystal structure of short-chain dehydrogenase PA3128 from Pseudo...

ID or keywords:

Entry

Database: PDB / ID: 8bcj

Title

Crystal structure of short-chain dehydrogenase PA3128 from Pseudomonas aeruginosa PAO1 in complex with NADP+

Components

Probable short-chain dehydrogenase

Keywords

UNKNOWN FUNCTION / PA3128 / P. aeruginosa / NADP+ / SDR

Function / homology

Enoyl-(Acyl carrier protein) reductase / Short-chain dehydrogenase/reductase SDR / oxidoreductase activity / NAD(P)-binding domain superfamily / nucleotide binding / IMIDAZOLE / NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / L(+)-TARTARIC ACID / Probable short-chain dehydrogenase

Function and homology information

Biological species

Pseudomonas aeruginosa PAO1 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT /

molecular replacement / Resolution: 1.15 Å

Authors

Popp, M.A. / Vit, A. / Blankenfeldt, W.

Funding support

Germany, 1items

Citation

Journal: To Be Published
Title: The structure of short-chain dehydrogenase PA3128 from Pseudomonas aeruginosa PAO1
Authors: Popp, M.A. / Vit, A. / Blankenfeldt, W.

History

Deposition	Oct 16, 2022	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Nov 30, 2022	Provider: repository / Type: Initial release
Revision 1.1	Jan 31, 2024	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8bcj.cif.gz	617.1 KB	Display	PDBx/mmCIF format
PDB format	pdb8bcj.ent.gz	530.9 KB	Display	PDB format
PDBx/mmJSON format	8bcj.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/bc/8bcj ftp://data.pdbj.org/pub/pdb/validation_reports/bc/8bcj	HTTPS FTP

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Related structure data

Related structure data	8bciSC S: Starting model for refinement C: citing same article (ref.)
Similar structure data	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	#90 - Jun 2007 Fatty Acid Synthase similarity (1) #77 - May 2006 Glucose Oxidase similarity (1) #134 - Feb 2011 Integrin similarity (1) #172 - Apr 2014 RecA and Rad51 similarity (1) #194 - Feb 2016 Designer Insulins similarity (1) #234 - Jun 2019 MDM2 and Cancer similarity (1) #259 - Jul 2021 Designed Proteins and Citizen Science similarity (1) #228 - Dec 2018 Directed Evolution of Enzymes similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#90 - Jun 2007
Fatty Acid Synthase
similarity (1)
#77 - May 2006
Glucose Oxidase
similarity (1)
#134 - Feb 2011
Integrin
similarity (1)
#172 - Apr 2014
RecA and Rad51
similarity (1)
#194 - Feb 2016
Designer Insulins
similarity (1)
#234 - Jun 2019
MDM2 and Cancer
similarity (1)
#259 - Jul 2021
Designed Proteins and Citizen Science
similarity (1)
#228 - Dec 2018
Directed Evolution of Enzymes
similarity (1)

Deposited unit

A: Probable short-chain dehydrogenase

B: Probable short-chain dehydrogenase

C: Probable short-chain dehydrogenase

D: Probable short-chain dehydrogenase

hetero molecules

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

1

A: Probable short-chain dehydrogenase

B: Probable short-chain dehydrogenase

hetero molecules

defined by author&software
Evidence: gel filtration
54.8 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: Probable short-chain dehydrogenase

D: Probable short-chain dehydrogenase

hetero molecules

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

Unit cell

Length a, b, c (Å)	91.689, 143.000, 72.982
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	18
Space group name H-M	P2₁2₁2

Components on special symmetry positions

ID	Model	Components
1	1	C-647- HOH
2	1	D-703- HOH

#1: Protein	Probable short-chain dehydrogenase Mass: 26447.836 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa PAO1 (bacteria) Strain: ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1 Gene: PA3128 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9HZ96
#2: Chemical	ChemComp-TLA / L(+)-TARTARIC ACID Mass: 150.087 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₄H₆O₆
#3: Chemical	ChemComp-NAP / NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE Mass: 743.405 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂₁H₂₈N₇O₁₇P₃ / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-IMD / IMIDAZOLE Mass: 69.085 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₃H₅N₂
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1295 / Source method: isolated from a natural source / Formula: H₂O
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: 2.26 Å³/Da / Density % sol: 45.7 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8.2 Details: 0.1 M imidazol, pH 8.2, 1.1 M K/Na tartrate, 0.2 M NaCl

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

BESSY

/ Beamline: 14.1 / Wavelength: 0.918409 Å

Detector

Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 27, 2013

Radiation

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

Radiation wavelength

Wavelength: 0.918409 Å / Relative weight: 1

Reflection

Resolution: 1.15→44.62 Å / Num. obs: 337928 / % possible obs: 99.9 % / Redundancy: 4.4 % / B_iso Wilson estimate: 9.6 Å² / CC_1/2: 0.998 / R_merge(I) obs: 0.072 / R_pim(I) all: 0.038 / R_rim(I) all: 0.082 / Net I/σ(I): 10.3 / Num. measured all: 1486813

Reflection shell

Diffraction-ID: 1 / Redundancy: 4.3 %

Resolution (Å)	R_merge(I) obs	Num. measured all	Num. unique obs	CC_1/2	R_pim(I) all	R_rim(I) all	Net I/σ(I) obs	% possible all
1.15-1.17	0.62	71596	16609	0.735	0.335	0.707	2.2	99.9
6.3-44.62	0.033	9874	2285	0.998	0.018	0.038	33.9	99.1

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Phasing

Phasing	Method: molecular replacement

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Processing

Software

Name	Version	Classification
PHENIX	1.20_4459	refinement
XDS		data reduction
Aimless	0.1.29	data scaling
PHASER		phasing
PDB_EXTRACT	3.27	data extraction

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 8BCI

8bci

Resolution: 1.15→34.12 Å / SU ML: 0.09 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 13.56 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.1491	17043	5.05 %
R_work	0.1351	320767	-
obs	0.1358	337810	99.84 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso max: 70.27 Å² / B_iso mean: 14.1588 Å² / B_iso min: 5.47 Å²

Refinement step

Cycle: final / Resolution: 1.15→34.12 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7311	0	580	1305	9196
B_iso mean	-	-	10.41	25.77	-
Num. residues	-	-	-	-	995

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / R_factor R_free error: 0 / Total num. of bins used: 30

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Num. reflection all	% reflection obs (%)
1.15-1.16	0.21	546	0.2183	10627	11173	100
1.16-1.18	0.2167	566	0.2111	10598	11164	100
1.18-1.19	0.2093	558	0.2052	10572	11130	100
1.19-1.21	0.1962	577	0.1988	10633	11210	100
1.21-1.22	0.2044	637	0.1909	10540	11177	100
1.22-1.24	0.1926	571	0.1906	10548	11119	100
1.24-1.26	0.2106	549	0.1888	10666	11215	100
1.26-1.28	0.1955	586	0.1833	10585	11171	100
1.28-1.3	0.1856	549	0.1779	10605	11154	100
1.3-1.32	0.1851	563	0.1701	10629	11192	100
1.32-1.34	0.1922	570	0.1698	10605	11175	100
1.34-1.36	0.1753	516	0.1624	10657	11173	100
1.36-1.39	0.1776	555	0.1574	10712	11267	100
1.39-1.42	0.1676	549	0.1496	10640	11189	100
1.42-1.45	0.162	546	0.1458	10677	11223	100
1.45-1.48	0.1596	633	0.1373	10604	11237	100
1.48-1.52	0.1364	554	0.1263	10676	11230	100
1.52-1.56	0.1417	562	0.1223	10653	11215	100
1.56-1.61	0.1314	546	0.1219	10714	11260	100
1.61-1.66	0.1355	587	0.1205	10670	11257	100
1.66-1.72	0.1327	557	0.118	10691	11248	100
1.72-1.79	0.1438	564	0.1217	10714	11278	100
1.79-1.87	0.1407	568	0.1224	10777	11345	100
1.87-1.97	0.1353	559	0.1201	10697	11256	100
1.97-2.09	0.1346	567	0.1196	10752	11319	100
2.09-2.25	0.129	596	0.115	10704	11300	100
2.25-2.48	0.1298	569	0.115	10797	11366	100
2.48-2.84	0.1331	573	0.1241	10866	11439	100
2.84-3.57	0.1429	598	0.1254	10908	11506	100
3.57-34.12	0.1403	572	0.1289	11250	11822	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	0.0373	0.0188	-0.031	0.0255	0.0156	0.0398	-0.0158	-0.0914	0.036	0.0949	0.0256	0.0325	0.0243	0.0237	0.0019	0.1015	0.0218	-0.0048	0.1095	-0.0105	0.0739	-164.654	174.6114	238.271
2	0.076	0.0311	-0.0123	0.0215	0.0209	0.0366	-0.0345	-0.1264	0.0267	0.0795	0.0811	0.0183	-0.027	-0.0553	0.0021	0.1251	0.0377	-0.0031	0.1378	-0.0084	0.0801	-169.1112	181.0473	242.2032
3	0.0563	0.0072	-0.0148	0.0153	0.0144	0.016	-0.0171	-0.1044	0.0649	0.023	0.0435	-0.0624	-0.0276	0.0743	-0	0.1568	0.0221	-0.0017	0.1249	-0.0231	0.092	-164.1635	183.9223	238.8604
4	0.0722	-0.0482	0.0291	0.0323	-0.0126	0.0178	-0.0039	-0.0722	0.2393	0.1553	0.0313	-0.1094	-0.0605	0.1947	-0.0003	0.1677	-0.007	-0.0208	0.1386	-0.041	0.1397	-157.2754	189.5919	236.0195
5	0.099	-0.022	-0.1352	0.0755	0.0315	0.1388	-0.015	-0.0176	0.0261	0.0261	0.0503	0.0087	-0.0739	-0.0361	0.0163	0.0733	0.0132	-0.0006	0.0841	0.0007	0.0789	-169.5986	181.2457	221.6208
6	0.0112	-0.0182	-0.0409	0.1787	0.0003	0.0986	-0.0038	-0.0142	0.0945	0.0291	0.0182	-0.0662	-0.0746	0.0125	0.0069	0.0819	0.0028	-0.0027	0.0812	-0.0118	0.1016	-156.8651	184.3735	224.9617
7	0.0507	-0.0044	-0.0895	0.1228	-0.0277	0.1824	-0.0101	0.0088	0.0109	0.0118	0.0165	0.0123	-0.0125	-0.004	0.009	0.0566	0.0075	-0.0004	0.0723	-0.0024	0.0718	-165.3834	174.084	220.4595
8	0.0273	-0.0144	-0.0238	0.016	0.0044	0.0085	0.0405	-0.0075	-0.1061	-0.0257	-0.0304	0.0889	0.0047	-0.0594	-0.0001	0.0845	0.0141	-0.0035	0.0998	-0.0194	0.1261	-181.3013	163.7691	222.4779
9	0.0458	0.0191	-0.0054	0.0966	-0.0048	0.0477	-0.0047	-0.0165	-0.0025	0.0165	0.0223	0.0117	0.0098	0.0034	0.0038	0.0713	0.0104	0.0004	0.0802	-0.0061	0.0904	-161.5506	164.6298	227.7976
10	0.0493	-0.0348	-0.0415	0.0382	0.0118	0.0237	0.0079	0.0998	-0.0135	-0.0967	0.0011	-0.0496	-0.094	-0.0435	-0	0.1094	0.0027	-0.0086	0.1178	0.0066	0.0768	-167.5765	186.516	186.399
11	0.1435	-0.015	-0.0918	0.05	-0.0558	0.0846	0.0127	0.042	0.0334	-0.0794	0.004	-0.0173	-0.0845	0.026	0.0019	0.1138	-0.0028	-0.0105	0.0925	0.0045	0.0802	-160.9695	187.3942	188.3742
12	0.0613	0.0042	0.0434	0.0193	0.0232	0.0728	-0.1697	0.0212	0.0051	-0.1262	0.0716	-0.0879	-0.0753	0.0015	-0.0038	0.205	-0.0513	0.0381	0.1628	0.0245	0.1373	-157.769	195.2098	184.2747
13	0.0811	0.068	0.0015	0.043	0.0038	0.0053	-0.0677	0.0201	0.0513	-0.0433	0.0757	-0.0175	-0.0271	-0.0384	-0	0.1458	-0.0091	0.0004	0.0901	0.009	0.0831	-164.8771	193.5578	191.2507
14	0.0529	0.0047	0.0469	0.0152	0.0125	0.0451	0.0521	-0.0396	0.1318	-0.1371	-0.0333	0.1022	-0.0796	-0.1412	-0.0018	0.1516	0.0194	-0.0247	0.118	0.0146	0.1102	-173.0828	195.3144	195.3782
15	0.1004	-0.1123	-0.12	0.2652	0.0324	0.1374	-0.0198	0.0136	0.0292	-0.0098	0.0175	0.0114	-0.0715	-0.0153	0.0136	0.0681	0.0054	-0.0081	0.0727	0.0024	0.0708	-166.0252	186.3889	205.0364
16	0.0433	-0.0351	0.0163	0.0527	-0.0041	0.2447	-0.0035	-0.008	-0.0116	-0.002	0.0136	-0.0012	-0.0059	0.0033	0.0106	0.0578	-0.0019	-0.0046	0.0735	-0.0009	0.0782	-160.0244	178.18	204.1158
17	0.0226	0.0136	-0.0238	0.0076	0.0012	0.015	0.0053	0.0042	-0.0502	0.0031	0.0075	-0.0926	0.0206	0.0036	-0	0.0756	-0.0036	-0.0101	0.1002	-0.0043	0.1204	-142.611	174.2963	199.3853
18	0.0478	-0.0461	-0.0064	0.0443	-0.0096	0.0178	0.0102	0.0028	-0.0105	-0.0196	0.0173	0.0211	0.0277	0.0183	0.0025	0.0725	-0.0045	-0.0056	0.0847	-0.0009	0.0882	-161.2625	172.2169	192.9801
19	0.0699	0.058	0.0377	0.0694	-0.0561	0.1018	-0.0254	-0.0576	-0.0283	0.0927	0.0212	-0.0276	0.0265	0.0137	0.0012	0.1171	0.0264	0.0149	0.0907	0.008	0.0733	-155.7226	143.2798	231.9469
20	0.0179	-0.0163	0.0008	0.0072	0.0033	0.0099	-0.0688	-0.0926	-0.0133	0.1576	-0.0601	-0.0248	0.19	0.0839	0	0.182	0.0344	-0.015	0.1319	0.0057	0.1164	-148.5597	137.605	237.0877
21	0.0931	0.0508	-0.0067	0.028	-0.0056	0.0066	-0.0569	-0.0357	0.0109	0.0544	0.0239	-0.0056	0.0966	0.0548	0	0.1553	0.0225	0.0064	0.0853	-0.0019	0.083	-155.6084	136.1076	228.5375
22	0.1118	-0.1059	-0.0071	0.2906	-0.0497	0.1801	-0.0197	-0.0083	-0.0184	0.0345	0.0248	0.0266	0.0514	0.0068	0.0264	0.0769	0.0076	0.0115	0.0616	0.0016	0.0691	-157.7395	143.1947	215.8503
23	0.0394	-0.0778	-0.0111	0.2229	0.013	0.0722	-0.0092	-0.0041	0.019	0.0182	0.0231	0.0039	0.0169	0.0037	0.0129	0.0652	0.0083	0.0056	0.0753	-0.0023	0.0757	-157.2349	151.3256	216.4401
24	0.048	-0.1184	-0.0034	0.2959	0.0191	-0.024	-0.0119	-0.0126	0.0101	0.0264	0.0286	-0.0333	-0.0058	0.0095	0.0126	0.0786	0.0117	0.0016	0.0844	-0.0052	0.0957	-153.2898	158.8275	224.4802
25	0.0335	-0.0288	0.0075	0.0232	0.0072	0.0201	0.0488	0.1288	-0.0049	-0.1873	-0.0212	0.0368	0.1085	-0.0257	0.001	0.1578	0.0006	-0.0044	0.1157	0.0025	0.0763	-162.0919	154.5929	181.1722
26	0.03	0.0164	0.0055	0.027	0.0186	0.0034	0.0491	0.1383	-0.0057	-0.4096	-0.0243	0.0154	0.2142	-0.019	-0.0266	0.2946	-0.0015	-0.0387	0.1327	-0.005	0.0719	-163.9279	148.2683	176.9042
27	0.2239	0.0042	0.0618	0.0599	-0.1183	0.2663	-0.006	0.0998	-0.0852	-0.2224	0.0034	0.0053	0.0436	0.0194	-0.001	0.2808	0.0188	-0.0205	0.1267	-0.0161	0.06	-159.539	146.5045	179.851
28	0.1811	0.099	-0.044	0.1113	-0.0638	0.0604	0.0684	0.0357	-0.1439	-0.2292	-0.0691	-0.0602	0.0459	0.1253	0.0055	0.2295	0.0437	0.0298	0.1525	-0.0212	0.0905	-150.1339	142.535	182.8879
29	0.054	-0.0907	0.0066	0.2316	0.1007	0.0812	-0.0325	0.0342	-0.0318	-0.0835	0.0432	0.042	0.1298	-0.0286	0.0017	0.0998	-0.0107	-0.0028	0.0771	-0.0018	0.0833	-164.4565	144.0067	200.5903
30	0.0672	-0.0362	0.0034	0.0561	-0.0319	0.0351	0.1177	0.0082	-0.0568	-0.167	-0.0793	-0.0921	0.1129	0.0628	0.0107	0.1187	0.0279	0.051	0.1029	-0.0014	0.0964	-145.3519	151.0348	190.5693
31	0.0348	-0.0507	0.0744	0.2962	-0.1161	0.1694	0.0045	0.0015	-0.0017	-0.0403	0.0175	0.0366	0.0414	-0.0081	0.0147	0.0657	-0.0055	-0.0025	0.0687	-0.0003	0.0721	-162.6423	154.3901	199.329
32	0.0128	0.0013	0.0108	0.0152	0.0048	0.002	0.0114	0.0105	-0.0068	0.0152	-0.0205	0.2295	0.0697	-0.0557	0	0.1019	-0.0166	0.0039	0.1102	0.0065	0.1865	-180.9625	159.2526	197.6267
33	0.0534	-0.0375	0.0288	0.0804	-0.0653	0.0475	0.0088	0.0112	-0.0163	-0.033	0.0247	0.0141	0.0118	0.0028	0	0.0788	-0.0014	-0.0027	0.0822	-0.0007	0.0894	-162.2659	164.4539	191.4426

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 1 through 24 )	A	1 - 24
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 25 through 49 )	A	25 - 49
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 50 through 63 )	A	50 - 63
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 64 through 78 )	A	64 - 78
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 79 through 101 )	A	79 - 101
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 102 through 135 )	A	102 - 135
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 136 through 202 )	A	136 - 202
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 203 through 218 )	A	203 - 218
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 219 through 248 )	A	219 - 248
10	X-RAY DIFFRACTION	10	chain 'B' and (resid -1 through 12 )	B	-1 - 12
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 13 through 36 )	B	13 - 36
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 37 through 49 )	B	37 - 49
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 50 through 63 )	B	50 - 63
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 64 through 78 )	B	64 - 78
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 79 through 135 )	B	79 - 135
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 136 through 202 )	B	136 - 202
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 203 through 218 )	B	203 - 218
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 219 through 248 )	B	219 - 248
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 0 through 36 )	C	0 - 36
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 37 through 49 )	C	37 - 49
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 50 through 63 )	C	50 - 63
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 64 through 154 )	C	64 - 154
23	X-RAY DIFFRACTION	23	chain 'C' and (resid 155 through 202 )	C	155 - 202
24	X-RAY DIFFRACTION	24	chain 'C' and (resid 203 through 248 )	C	203 - 248
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 1 through 24 )	D	1 - 24
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 25 through 49 )	D	25 - 49
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 50 through 63 )	D	50 - 63
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 64 through 78 )	D	64 - 78
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 79 through 113 )	D	79 - 113
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 114 through 135 )	D	114 - 135
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 136 through 202 )	D	136 - 202
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 203 through 218 )	D	203 - 218
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 219 through 248 )	D	219 - 248

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