PDB-5bnt: X-ray Crystal Structure of a Aspartate-semialdehyde dehydrogenase...

ID or keywords:

Entry

Database: PDB / ID: 5bnt

Title

X-ray Crystal Structure of a Aspartate-semialdehyde dehydrogenase bound to NADP from Pseudomonas aeruginosa

Components

Aspartate-semialdehyde dehydrogenase

Keywords

OXIDOREDUCTASE / SSGCID / Pseudomonas aeruginosa / aspartate-semialdehyde dehydrogenase / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease

Function / homology

Function and homology information

aspartate-semialdehyde dehydrogenase / aspartate-semialdehyde dehydrogenase activity / 'de novo' L-methionine biosynthetic process / threonine biosynthetic process / diaminopimelate biosynthetic process / isoleucine biosynthetic process / lysine biosynthetic process via diaminopimelate / NAD binding / NADP binding / protein dimerization activity
Similarity search - Function

Biological species

Pseudomonas aeruginosa (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.1 Å

Authors

Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Funding support

United States, 1items

Citation

Journal: to be published
Title: X-ray Crystal Structure of a Aspartate-semialdehyde dehydrogenase bound to NADP from Pseudomonas aeruginosa
Authors: Fairman, J.W. / Abendroth, J. / Lorimer, D.D. / Edwards, T.E.

History

Deposition	May 26, 2015	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jun 10, 2015	Provider: repository / Type: Initial release
Revision 1.1	Sep 27, 2017	Group: Author supporting evidence / Derived calculations ...Author supporting evidence / Derived calculations / Source and taxonomy / Structure summary Category: entity_src_gen / pdbx_audit_support ...entity_src_gen / pdbx_audit_support / pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop / pdbx_struct_oper_list / struct_keywords Item: _entity_src_gen.pdbx_alt_source_flag / _pdbx_audit_support.funding_organization ..._entity_src_gen.pdbx_alt_source_flag / _pdbx_audit_support.funding_organization / _pdbx_struct_assembly.oligomeric_details / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_assembly_prop.type / _pdbx_struct_assembly_prop.value / _pdbx_struct_oper_list.symmetry_operation / _struct_keywords.text
Revision 1.2	Dec 11, 2019	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.3	Sep 27, 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	5bnt.cif.gz	581.2 KB	Display	PDBx/mmCIF format
PDB format	pdb5bnt.ent.gz	478.1 KB	Display	PDB format
PDBx/mmJSON format	5bnt.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/bn/5bnt ftp://data.pdbj.org/pub/pdb/validation_reports/bn/5bnt	HTTPS FTP

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Related structure data

Related structure data	1mb4S S: Starting model for refinement
Similar structure data	1pqu-1 1mc4-2 3uw3-d 1pqu-2 3q0e-d 1mb4-d 6spq-d 4woj-d 3pzr-1 1ta4-1 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
Other databases	TargetTrack: SSGCID-PsaeA.17885.a

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

C: Aspartate-semialdehyde dehydrogenase

B: Aspartate-semialdehyde dehydrogenase

A: Aspartate-semialdehyde dehydrogenase

D: Aspartate-semialdehyde dehydrogenase

hetero molecules

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

1

C: Aspartate-semialdehyde dehydrogenase

B: Aspartate-semialdehyde dehydrogenase

hetero molecules

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

2

A: Aspartate-semialdehyde dehydrogenase

D: Aspartate-semialdehyde dehydrogenase

hetero molecules

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

Unit cell

Length a, b, c (Å)	125.680, 125.680, 199.440
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	92
Space group name H-M	P4₁2₁2

#1: Protein	Aspartate-semialdehyde dehydrogenase / ASADH / Aspartate-beta-semialdehyde dehydrogenase Mass: 41569.719 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228) (bacteria) Strain: ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228 / Gene: asd, PA3117 / Plasmid: PsaeA.17885.a.B1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) References: UniProt: Q51344, aspartate-semialdehyde dehydrogenase
#2: 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
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 928 / 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: 2.42 Å³/Da / Density % sol: 49.18 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: Microlytics, MCSG1 D9: 0.2 M sodium chloride, 0.1 M TRIS:HCl pH 8.50, 25% 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: Apr 2, 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: 2.1→50 Å / Num. obs: 90696 / % possible obs: 96.9 % / Observed criterion σ(I): -3 / Redundancy: 7.58 % / B_iso Wilson estimate: 19.55 Å² / R_merge F obs: 0.997 / R_merge(I) obs: 0.125 / R_rim(I) all: 0.133 / Χ²: 0.941 / Net I/σ(I): 15.13 / Num. measured all: 688175

Reflection shell

Diffraction-ID: 1 / Rejects: _

Resolution (Å)	Highest resolution (Å)	R_merge F obs	R_merge(I) obs	Mean I/σ(I) obs	Num. measured obs	Num. possible	Num. unique obs	R_rim(I) all	% possible all
2.1-2.15		0.841	0.572	3.59	50949	6806	6644	0.609	97.6
2.15-2.21		0.89	0.492	4.2	49756	6668	6501	0.524	97.5
2.21-2.28		0.917	0.413	5.11	47003	6465	6291	0.44	97.3
2.28-2.35		0.944	0.365	5.71	46762	6296	6161	0.388	97.9
2.35-2.42		0.96	0.303	6.8	45260	6130	5980	0.323	97.6
2.42-2.51		0.964	0.286	7.35	43405	5891	5752	0.304	97.6
2.51-2.6		0.974	0.25	8.41	42161	5705	5598	0.266	98.1
2.6-2.71		0.979	0.223	9.45	40599	5519	5376	0.238	97.4
2.71-2.83		0.985	0.184	10.97	38886	5292	5158	0.196	97.5
2.83-2.97		0.99	0.149	13.32	37487	5079	4945	0.158	97.4
2.97-3.13		0.993	0.127	15.4	35693	4816	4689	0.135	97.4
3.13-3.32		0.995	0.099	18.69	34138	4595	4448	0.106	96.8
3.32-3.55		0.997	0.074	24.17	31753	4304	4150	0.079	96.4
3.55-3.83		0.998	0.064	27.92	29594	4035	3888	0.068	96.4
3.83-4.2		0.999	0.049	33.63	27256	3742	3579	0.053	95.6
4.2-4.7		0.999	0.039	39.63	24945	3391	3232	0.042	95.3
4.7-5.42		0.999	0.039	39.27	22000	3015	2867	0.042	95.1
5.42-6.64		0.999	0.042	35.85	18679	2593	2445	0.044	94.3
6.64-9.39		0.999	0.033	43.7	14327	2045	1892	0.035	92.5
	9.39	0.999	0.026	49.78	7522	1237	1100	0.028	88.9

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
PHENIX	(dev_2050: ???)	refinement
PDB_EXTRACT	3.15	data extraction
XDS		data reduction
BALBES		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1MB4

1mb4

Resolution: 2.1→43.484 Å / SU ML: 0.22 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 20.79 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2204	2000	2.21 %	RANDOM
R_work	0.1806	88603	-	-
obs	0.1815	90603	96.9 %	-

Solvent computation

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

Displacement parameters

B_iso max: 84.55 Å² / B_iso mean: 24.2562 Å² / B_iso min: 6.62 Å²

Refinement step

Cycle: final / Resolution: 2.1→43.484 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	11169	0	157	928	12254
B_iso mean	-	-	40.36	29.27	-
Num. residues	-	-	-	-	1481

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.002	11605
X-RAY DIFFRACTION	f_angle_d	0.759	15812
X-RAY DIFFRACTION	f_chiral_restr	0.035	1801
X-RAY DIFFRACTION	f_plane_restr	0.004	2040
X-RAY DIFFRACTION	f_dihedral_angle_d	15.653	6973

LS refinement shell

Refine-ID: X-RAY DIFFRACTION / 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 (%)
2.1-2.1525	0.3043	142	0.2304	6278	6420	98
2.1525-2.2107	0.271	142	0.2142	6280	6422	97
2.2107-2.2758	0.251	141	0.208	6273	6414	97
2.2758-2.3492	0.24	142	0.1979	6280	6422	98
2.3492-2.4332	0.2175	142	0.1946	6331	6473	98
2.4332-2.5306	0.2405	143	0.1938	6315	6458	98
2.5306-2.6458	0.2411	143	0.197	6339	6482	98
2.6458-2.7852	0.2456	143	0.1993	6327	6470	97
2.7852-2.9597	0.2363	143	0.1928	6319	6462	97
2.9597-3.1882	0.2216	143	0.1914	6353	6496	97
3.1882-3.5089	0.2268	143	0.1767	6335	6478	97
3.5089-4.0163	0.1737	143	0.1614	6334	6477	96
4.0163-5.0589	0.1868	144	0.1382	6358	6502	95
5.0589-43.493	0.1978	146	0.165	6481	6627	93

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	1.1501	-0.5222	-0.7779	0.7809	-0.2149	1.4208	0.2794	-0.1746	0.5444	0.4586	0.1343	0.1124	-0.725	-0.1064	-0.1799	0.568	0.0905	0.252	0.3386	-0.0316	0.4486	-112.1502	39.2532	41.5008
2	1.7315	-0.7105	-1.5171	1.1673	-0.2679	2.5837	-0.0234	-0.1166	0.0256	0.3181	0.1017	0.2755	-0.0413	-0.186	-0.1002	0.2203	-0.0039	0.0907	0.2584	0.0085	0.2446	-111.3483	22.0919	40.1429
3	1.4294	0.3245	-0.2113	1.1128	0.0265	1.1339	0.0453	-0.1101	0.1728	0.0859	-0.0448	0.0065	-0.1331	0.0222	0.0143	0.1268	0.0167	-0.004	0.1136	-0.0129	0.1083	-88.4428	28.1402	27.5995
4	1.155	-0.3531	-0.4157	0.971	-0.1921	1.0945	0.0538	0.1173	0.0661	-0.0643	-0.0452	0.203	-0.0213	-0.2249	-0.0098	0.1081	0.0243	-0.0001	0.1746	0.0154	0.1577	-101.8761	23.7537	18.7721
5	6.1462	0.2981	-0.6131	2.1398	0.0929	0.5407	0.0985	0.227	0.5987	-0.1552	0.2557	0.0556	-0.2966	0.3224	-0.2859	0.2084	-0.076	0.0224	0.378	-0.016	0.2985	-4.5101	26.3182	15.0749
6	2.6291	-0.5659	0.026	1.6009	0.1275	5.4639	-0.3999	0.8512	0.4726	-0.6261	0.4078	-0.1687	-0.7057	0.3643	-0.0148	0.4902	-0.2137	0.0119	0.6407	0.1119	0.3934	-3.2752	25.9656	1.0713
7	0.4955	1.2261	0.3302	3.034	0.8178	0.2212	-0.2389	0.6624	0.0088	-0.7713	0.2645	0.1155	-0.0841	-0.087	-0.007	0.2651	-0.0877	-0.0164	0.5932	-0.0744	0.1913	-9.5686	13.7978	2.5395
8	2.1096	0.8753	-1.076	1.3297	1.3087	3.7331	-0.1333	0.2859	-0.5278	0.1326	0.0525	-0.0921	0.4432	0.1124	0.0595	0.1438	0.0235	-0.0101	0.2851	-0.0639	0.2102	-11.385	7.816	16.6656
9	1.0972	-0.1619	0.1183	1.6257	-0.4272	1.0854	0.0988	-0.0069	0.2315	-0.1575	-0.0604	-0.0916	-0.1406	0.1358	-0.0345	0.15	-0.0387	0.0378	0.1193	-0.03	0.1316	-30.2416	26.3397	26.9876
10	1.0495	-1.2567	-0.8642	3.5284	1.1185	1.8704	0.1685	0.1779	0.0892	-0.1635	-0.1897	0.1218	-0.2468	-0.0927	0.0309	0.1182	-0.0049	-0.0098	0.1519	-0.0188	0.1139	-38.8367	27.8025	18.7641
11	4.3214	-0.1748	-0.1415	2.2747	0.0196	3.8823	0.0469	0.2778	-0.1691	-0.0298	-0.0578	-0.2521	0.1927	0.5051	0.0283	0.1465	0.0108	0.0032	0.1508	-0.0617	0.1188	-22.7327	3.8283	19.3413
12	1.4223	0.1519	0.2357	0.0513	-0.0131	1.3177	0.0593	0.037	0.0801	-0.0072	-0.0033	-0.1232	0.0845	0.2185	-0.0398	0.0868	-0.0051	0.03	0.153	-0.0195	0.1261	-27.126	16.5294	26.2935
13	1.2244	0.0846	-0.201	1.2705	0.2118	1.2855	0.0237	-0.1433	-0.0157	0.097	-0.0132	-0.0613	0.102	0.3359	-0.0181	0.1103	0.0111	-0.0171	0.1805	-0.026	0.0895	-20.2079	13.4773	38.9602
14	1.566	1.644	-0.9726	3.1091	-0.3371	3.6451	0.1945	0.1981	0.046	-0.1446	-0.0007	0.0204	-0.0813	0.234	-0.1926	0.1055	-0.0237	-0.0019	0.2525	-0.0412	0.1299	-7.9263	18.6518	17.1556
15	0.8018	-0.3928	-0.5623	1.6596	0.7965	1.7646	0.0028	-0.0539	0.0237	0.0543	0.0097	0.022	-0.0562	0.07	-0.0112	0.0687	-0.0303	0.0176	0.1372	-0.0021	0.1123	-57.6359	27.4775	48.9105
16	1.1445	-0.1003	-0.1119	0.9094	0.2076	0.9611	0.096	-0.0463	0.0675	0.0132	-0.0545	-0.0637	-0.0426	0.0797	0.0065	0.0998	-0.0234	0.0206	0.1082	-0.0269	0.0902	-36.8699	20.9636	32.4688
17	0.8661	-0.6485	-0.5381	0.598	0.3429	1.2658	0.0332	0.0157	-0.0533	-0.046	-0.0389	0.0598	-0.014	-0.0358	0.0022	0.0859	-0.0422	0.0059	0.0794	-0.0205	0.1096	-49.3843	19.027	33.5119
18	2.5422	-0.0042	-1.0805	3.109	-1.0761	2.8393	0.1711	-0.2628	0.2187	0.1407	-0.0048	0.0215	-0.5091	0.0428	-0.1554	0.2191	-0.0038	0.0405	0.1841	-0.0388	0.1375	-57.7067	35.7316	7.6948
19	1.7409	0.6463	-1.0519	3.4958	0.3704	3.1811	0.1415	0.1687	0.1652	-0.2462	-0.0975	-0.0299	-0.2235	-0.1204	-0.036	0.1666	0.0465	0.0315	0.1331	0.0065	0.1104	-59.8797	33.5131	-4.3249
20	0.9882	0.7585	-1.2088	2.478	-1.426	2.9043	-0.1443	0.198	-0.1175	-0.198	0.0962	0.0035	0.025	-0.4489	0.0529	0.142	0.0387	0.0244	0.2163	0.0153	0.1459	-64.925	19.8849	-1.5402
21	3.7614	0.2585	-2.5714	2.0784	0.1462	5.8037	0.0229	-0.0275	-0.0648	-0.1025	-0.026	-0.1387	-0.1086	-0.0561	-0.0255	0.1456	0.0254	0.0006	0.1295	-0.0258	0.1112	-66.5476	16.4648	5.3619
22	1.4953	-0.4464	0.0417	1.8856	-0.232	1.1096	0.0508	-0.0525	0.2655	-0.0678	-0.0498	0.0549	-0.2274	0.083	-0.0316	0.1271	-0.013	0.0121	0.1151	-0.0056	0.127	-84.6551	31.9754	20.3921
23	1.869	-0.4195	0.0675	1.7246	0.2838	2.2028	0.0969	0.2941	0.398	-0.2147	-0.0158	0.0721	-0.3025	-0.0077	0.0053	0.2116	0.0338	0.0204	0.1689	0.0817	0.2354	-92.4032	38.0921	13.3502
24	7.309	0.2375	-1.0497	2.788	-0.7998	3.7325	-0.0202	0.4546	0.0793	-0.3801	-0.0049	0.1124	0.0784	0.188	0.0401	0.2251	-0.0162	0.0078	0.2315	-0.0313	0.081	-79.5476	14.0916	5.006
25	2.3217	0.6588	0.7132	1.6652	0.4676	0.8375	-0.0844	0.1106	0.1663	-0.079	0.0015	0.073	-0.0442	0.1134	0.0896	0.1254	0.0189	0.0141	0.1572	0.0179	0.1004	-82.5888	23.0674	16.1375
26	3.0135	0.994	0.2343	1.8716	-0.2693	1.9777	0.1959	-0.3294	-0.3032	0.1916	-0.134	-0.0511	0.1611	0.2553	-0.0901	0.2174	0.0806	0.0325	0.1675	0.0494	0.1475	-73.1183	8.0866	24.589
27	0.9485	0.7189	-1.5518	2.1056	-1.3795	2.7907	0.0952	-0.2696	0.0914	0.0824	-0.1915	-0.1667	-0.0554	0.3851	0.0671	0.102	-0.0111	-0.0227	0.1759	-0.0311	0.1287	-75.3681	23.4697	29.7284
28	2.3046	1.4918	-1.6877	1.1033	-0.7652	2.1191	0.0635	-0.0855	-0.0444	-0.0052	-0.0357	-0.0306	-0.0759	0.1641	-0.0446	0.1201	0.0374	-0.0167	0.1497	0.0049	0.1058	-71.321	20.0834	15.5377

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 8 through 62 )	A
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 63 through 142 )	A
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 143 through 260 )	A
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 261 through 378 )	A
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 8 through 31 )	B
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 32 through 67 )	B
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 68 through 95 )	B
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 96 through 142 )	B
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 143 through 199 )	B
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 200 through 237 )	B
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 238 through 260 )	B
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 261 through 281 )	B
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 282 through 349 )	B
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 350 through 378 )	B
15	X-RAY DIFFRACTION	15	chain 'C' and (resid 10 through 142 )	C
16	X-RAY DIFFRACTION	16	chain 'C' and (resid 143 through 317 )	C
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 318 through 378 )	C
18	X-RAY DIFFRACTION	18	chain 'D' and (resid 8 through 47 )	D
19	X-RAY DIFFRACTION	19	chain 'D' and (resid 48 through 82 )	D
20	X-RAY DIFFRACTION	20	chain 'D' and (resid 83 through 119 )	D
21	X-RAY DIFFRACTION	21	chain 'D' and (resid 120 through 142 )	D
22	X-RAY DIFFRACTION	22	chain 'D' and (resid 143 through 199 )	D
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 200 through 236 )	D
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 237 through 260 )	D
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 261 through 281 )	D
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 282 through 305 )	D
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 306 through 330 )	D
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 331 through 378 )	D

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