PDB-8cfv: Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. ...

ID or keywords:

Entry

Database: PDB / ID: 8cfv

Title

Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with F2X-Entry library fragment H04

Components

Adenosylhomocysteinase

Keywords

HYDROLASE / Fragment screening / protein-ligand complex / drug discovery / SAM-DEPENDENT METHYLATION REACTIONS / SAHase / AHCY

Function / homology

Function and homology information

L-homocysteine biosynthetic process / adenosylhomocysteinase / adenosylhomocysteinase activity / S-adenosylmethionine cycle / one-carbon metabolic process / cytosol
Similarity search - Function

Biological species

Pseudomonas aeruginosa PAO1 (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.88 Å

Authors

Malecki, P.H. / Gawel, M. / Stepniewska, M. / Brzezinski, K.

Funding support

Poland, 1items

Citation

Journal: To be published
Title: Crystal structure of S-adenosyl-L-homocysteine hydrolase from P. aeruginosa in complex with fragment F2X-Entry H04
Authors: Malecki, P.H. / Gawel, M. / Stepniewska, M. / Brzezinski, K.

History

Deposition	Feb 3, 2023	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Feb 21, 2024	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8cfv.cif.gz	755.4 KB	Display	PDBx/mmCIF format
PDB format	pdb8cfv.ent.gz	625.9 KB	Display	PDB format
PDBx/mmJSON format	8cfv.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	8cfv_validation.pdf.gz	1.8 MB	Display	wwPDB validaton report
Full document	8cfv_full_validation.pdf.gz	1.8 MB	Display
Data in XML	8cfv_validation.xml.gz	79.4 KB	Display
Data in CIF	8cfv_validation.cif.gz	116.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/cf/8cfv ftp://data.pdbj.org/pub/pdb/validation_reports/cf/8cfv	HTTPS FTP

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Related structure data

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	#210 - Jun 2017 Adenine Riboswitch in Action similarity (1) #130 - Oct 2010 Riboswitches similarity (1) #156 - Dec 2012 ABO Blood Type Glycosyltransferases similarity (1)

Deposited unit

A: Adenosylhomocysteinase

B: Adenosylhomocysteinase

C: Adenosylhomocysteinase

D: Adenosylhomocysteinase

hetero molecules

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

1

Idetical with deposited unit
defined by author&software
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	74.019, 132.869, 98.904
Angle α, β, γ (deg.)	90.00, 101.20, 90.00
Int Tables number	4
Space group name H-M	P12₁1

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Protein , 1 types, 4 molecules ABCD

#1: Protein	Adenosylhomocysteinase / S-adenosyl-L-homocysteine hydrolase / AdoHcyase Mass: 51735.031 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa PAO1 (bacteria) / Strain: PAO1 / Gene: ahcY, sahH, PA0432 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 CodonPlus RILP / References: UniProt: Q9I685, adenosylhomocysteinase

#1: Protein

Adenosylhomocysteinase / S-adenosyl-L-homocysteine hydrolase / AdoHcyase

Mass: 51735.031 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Pseudomonas aeruginosa PAO1 (bacteria) / Strain: PAO1 / Gene: ahcY, sahH, PA0432 / Production host:

Escherichia coli (E. coli) / Strain (production host): BL21 CodonPlus RILP / References: UniProt: Q9I685, adenosylhomocysteinase

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Non-polymers , 8 types, 1475 molecules

#2: Chemical	ChemComp-NAD / NICOTINAMIDE-ADENINE-DINUCLEOTIDE Mass: 663.425 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂₁H₂₇N₇O₁₄P₂ / Comment: NAD*YM
#3: Chemical	ChemComp-ADE / ADENINE Mass: 135.127 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₅H₅N₅
#4: Chemical	ChemComp-DMS / DIMETHYL SULFOXIDE Mass: 78.133 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₂H₆OS / Comment: DMSO, precipitant*YM
#5: Chemical	ChemComp-K / POTASSIUM ION Mass: 39.098 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: K
#6: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: PO₄
#7: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₃H₈O₃
#8: Chemical	ChemComp-3S9 / benzyl (cyanomethyl)carbamate Mass: 190.199 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₀H₁₀N₂O₂ / Feature type: SUBJECT OF INVESTIGATION
#9: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1441 / 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: 2.31 Å³/Da / Density % sol: 46.65 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 50 mM KH2PO4, 20% (w/v) PEG8000, 20% (v/v) glycerol

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

BESSY

/ Beamline: 14.2 / Wavelength: 0.9184 Å

Detector

Type: DECTRIS PILATUS3 2M / Detector: PIXEL / Date: Aug 27, 2021

Radiation

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

Radiation wavelength

Wavelength: 0.9184 Å / Relative weight: 1

Reflection

Resolution: 1.88→48.5 Å / Num. obs: 151098 / % possible obs: 98.8 % / Redundancy: 4.58 % / CC_1/2: 0.997 / R_merge(I) obs: 0.124 / R_rim(I) all: 0.14 / Net I/σ(I): 9.19

Reflection shell

Resolution (Å)	R_merge(I) obs	Num. unique obs	CC_1/2	R_rim(I) all	Diffraction-ID
1.88-1.99	1.416	23580	0.54	1.595	1
1.99-2.13	0.851	22938	0.721	0.96	1
2.13-2.3	0.491	21422	0.859	0.559	1
2.3-2.52	0.306	19770	0.941	0.348	1
2.52-2.81	0.202	17926	0.977	0.227	1
2.81-3.24	0.12	15838	0.991	0.136	1
3.24-3.97	0.064	13408	0.996	0.073	1
3.97-5.6	0.04	10404	0.998	0.045	1
5.6-48.5	0.033	5812	0.999	0.037	1

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Processing

Software

Name	Version	Classification
PHENIX	1.19.2-4158	refinement
XDS		data scaling
XDS		data reduction
REFMAC		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.88→48.5 Å / SU ML: 0.21 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 22.06 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2016	1056	0.7 %
R_work	0.1595	-	-
obs	0.1598	151042	98.8 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 1.88→48.5 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	14228	0	342	1441	16011

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.006	14996
X-RAY DIFFRACTION	f_angle_d	0.768	20347
X-RAY DIFFRACTION	f_dihedral_angle_d	13.764	5575
X-RAY DIFFRACTION	f_chiral_restr	0.052	2267
X-RAY DIFFRACTION	f_plane_restr	0.006	2692

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 (%)
1.88-1.96	0.2905	126	0.2705	17841	X-RAY DIFFRACTION	95
1.96-2.06	0.2864	132	0.2372	18790	X-RAY DIFFRACTION	99
2.07-2.19	0.25	132	0.2	18759	X-RAY DIFFRACTION	99
2.19-2.36	0.2127	133	0.1803	18854	X-RAY DIFFRACTION	99
2.36-2.6	0.2152	133	0.1639	18842	X-RAY DIFFRACTION	99
2.6-2.98	0.2095	134	0.1513	18920	X-RAY DIFFRACTION	100
2.98-3.75	0.1685	133	0.1369	18946	X-RAY DIFFRACTION	100
3.75-48.5	0.1767	133	0.1371	19034	X-RAY DIFFRACTION	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	1.7887	-0.1	-0.5914	0.9566	1.0423	1.2818	0.0442	-0.003	0.2306	-0.1409	0.0115	-0.059	-0.2243	-0.0531	-0.0948	0.4089	0.0111	-0.0495	0.1969	0.0097	0.3366	-4.1779	62.9275	-16.5934
2	1.6444	-0.0783	-0.2699	0.7642	0.4511	1.6188	0.0145	-0.0045	0.1975	-0.1669	-0.0266	0.0544	-0.1248	-0.0696	0.012	0.317	0.0242	-0.0466	0.1895	-0.027	0.284	-12.7854	61.0617	-17.4949
3	2.5072	-1.5477	0.8301	4.2075	-2.4991	6.7842	-0.0815	-0.214	0.2208	0.0749	0.141	0.6727	-0.3188	-0.7875	-0.0925	0.3032	0.0533	-0.0346	0.3619	-0.0798	0.422	-25.3998	63.032	-13.6645
4	5.1123	-0.3578	-1.1718	3.2296	0.2972	4.1699	0.0514	0.0124	0.1359	-0.0256	-0.1278	0.5214	0.069	-0.7419	0.0701	0.3322	0.0273	-0.088	0.3575	-0.0755	0.3158	-26.559	58.259	-24.2762
5	1.1647	-0.7624	0.8298	1.0115	-0.5677	1.5866	-0.0229	0.0552	-0.0454	-0.2061	-0.0163	0.262	-0.1044	-0.2157	0.0487	0.2854	-0.0043	-0.0464	0.2245	-0.0288	0.2724	-15.6074	44.7548	-25.3405
6	0.9248	0.2514	0.5207	1.0107	0.5713	2.1308	0.0294	-0.1486	-0.0206	0.0491	-0.0505	0.1899	-0.0167	-0.2778	0.0237	0.1739	0.0109	-0.0029	0.2173	0.0004	0.2374	-15.5668	28.8402	-14.0097
7	2.0963	0.9325	-0.3407	4.0728	-1.8035	3.6753	0.0332	-0.3654	-0.0391	0.3874	-0.0941	0.1251	-0.143	-0.4055	0.0068	0.1889	0.0079	-0.0055	0.2677	-0.0279	0.1935	-14.632	35.58	-2.6884
8	1.4907	0.3361	-1.268	2.6882	0.7596	1.7243	0.1243	0.6404	0.1317	-0.6418	-0.1847	0.4412	-0.1596	-0.5244	0.0185	0.4628	0.0614	-0.0944	0.3728	-0.0012	0.2762	-18.5656	58.5976	-34.7644
9	1.5713	0.0929	-0.2113	1.5119	0.3483	1.066	0.1275	0.2723	0.1742	-0.3838	-0.1229	-0.0498	-0.3088	0.0034	0.0036	0.4386	0.0261	-0.005	0.2448	0.0554	0.242	-1.3465	47.1567	-44.5175
10	4.387	-3.6593	1.1794	5.0611	1.0776	2.4326	-1.1041	0.5378	0.5636	-0.1021	0.5494	1.5521	-0.3334	0.5308	0.5446	0.4138	0.0229	-0	0.1663	0.0259	0.3359	-9.6315	49.5244	-19.0801
11	1.0793	-0.3758	0.5346	0.8589	-0.0789	1.2263	-0.1396	-0.2083	0.1234	0.1984	0.1179	-0.0887	-0.0709	0.0079	0.0219	0.2188	0.0249	-0.0254	0.2263	-0.0259	0.1783	12.8602	34.3096	9.703
12	1.0406	-0.6091	-0.0954	1.2706	0.4258	0.6616	-0.0083	0.0305	0.2414	-0.1151	0.0725	-0.2693	-0.1969	0.1489	-0.0671	0.245	-0.0691	0.0211	0.2309	-0.0006	0.2672	19.191	43.9008	-16.7712
13	2.3544	0.3361	-0.8363	3.6965	-1.7009	2.8142	0.0924	0.0409	0.4765	0.2083	0.0289	-0.2973	-0.6337	0.0438	-0.0823	0.2868	-0.0246	0.0106	0.2025	-0.0252	0.2791	12.7345	53.3977	-10.2241
14	1.0563	0.6608	0.5113	0.4585	0.6044	2.1071	-0.0209	-0.0921	-0.2332	0.2406	0.1225	-0.1568	0.2466	0.217	-0.1131	0.2801	0.0605	-0.0363	0.2136	-0.0186	0.1999	20.1396	20.8697	11.326
15	2.3585	0.007	0.2324	1.7771	-0.0924	1.7332	0.076	-0.2227	-0.2538	0.0818	0.0041	-0.0218	0.2468	0.0421	-0.0781	0.2237	-0.0092	-0.0185	0.2062	0.0376	0.2198	10.9585	8.2974	-5.4272
16	6.9217	-3.9862	3.4301	2.5292	-3.0194	6.3653	-0.3834	-0.4667	-0.4435	-0.1579	-0.0674	0.0559	-0.3843	0.4486	0.4472	0.3837	-0.075	-0.0533	0.2715	0.0403	0.2689	9.3991	34.4735	0.6661
17	2.0543	0.0085	0.2268	1.1235	-0.3266	2.5252	0.0989	0.1438	-0.3766	-0.1357	0.0483	-0.2087	0.4898	0.1769	-0.1401	0.324	0.0551	-0.0044	0.3311	-0.1134	0.3742	31.3726	2.8522	-35.9584
18	1.9745	-0.2768	0.7986	0.8415	0.1975	2.0131	0.1731	-0.2384	-0.4322	0.1679	0.0351	-0.1074	0.3195	0.135	-0.157	0.3025	0.0001	-0.0124	0.2859	0.0049	0.3485	25.3047	5.3714	-21.736
19	0.7142	0.1372	0.4172	0.6636	0.5968	2.3964	0.091	0.0131	-0.2249	0.0354	-0.0267	0.0336	0.3419	-0.0518	-0.0531	0.2273	0.0104	-0.031	0.1614	0.0008	0.272	2.1773	5.637	-22.147
20	3.107	0.8732	-0.5875	2.602	-0.4322	2.1929	-0.0361	0.2356	-0.5823	-0.2463	0.0795	0.0091	0.5298	-0.0676	-0.0537	0.321	0.0251	-0.0553	0.2008	-0.0444	0.2869	2.2231	-0.1854	-33.9941
21	1.0329	-0.7123	-0.3564	1.8153	1.274	1.9517	-0.0128	-0.0696	-0.0302	0.2274	0.2054	-0.4572	0.2131	0.4318	-0.1493	0.1911	0.0064	-0.0319	0.3462	-0.047	0.3307	34.9028	19.1583	-17.8718
22	2	2	-3.1443	9.3038	-3.0931	2	0.0314	-1.0347	0.3638	-0.8003	0.2391	0.0205	1.1644	1.5096	-0.2635	0.3192	-0.0395	0.1173	0.5001	-0.3138	0.6433	21.9156	9.5042	-31.4182
23	1.3863	-0.4641	-1.4776	1.3804	-0.863	4.0572	0.0675	0.2771	-0.2865	-0.3155	-0.1136	0.0006	0.3647	-0.0451	0.0612	0.3519	0.05	-0.1073	0.2806	-0.0963	0.3351	-3.6172	3.5364	-53.146
24	1.8501	0.1607	0.4598	1.0674	-0.6361	2.5163	0.0353	-0	-0.1539	-0.144	0.0059	0.2068	0.1823	-0.1897	-0.0458	0.2852	0.048	-0.0726	0.2721	-0.0781	0.3114	-17.2189	13.2868	-50.8874
25	0.5515	-0.4265	-0.0691	0.8835	0.0417	0.7501	0.1178	0.1817	-0.1897	-0.1689	-0.0604	-0.0177	0.1709	0.0646	-0.0527	0.3214	0.0781	-0.0706	0.3001	-0.0844	0.2455	-5.3705	11.7287	-56.4157
26	2.8922	-0.9897	0.397	1.5499	0.2794	2.3323	0.195	0.471	-0.058	-0.3893	-0.1845	-0.1614	-0.0418	0.2666	-0.0032	0.4021	0.0865	-0.0343	0.3927	-0.0521	0.2215	-7.4019	20.158	-66.9874
27	1.4635	-0.6759	0.7219	0.7299	-0.1739	0.7998	-0.0011	0.1688	0.1095	-0.1876	-0.0627	0.0561	-0.1165	-0.021	0.0608	0.3003	0.0232	-0.0384	0.2784	-0.0201	0.2254	-8.0143	27.7937	-52.4159
28	1.6056	-0.6539	0.4744	1.2172	0.5244	0.8647	0.0122	0.1374	0.1363	-0.1734	0.0082	-0.1105	-0.2073	0.167	-0.0081	0.2632	-0.0196	0.0339	0.2034	0.0136	0.1596	8.3375	37.0312	-38.0623
29	2.0292	-0.2288	1.5359	1.5307	0.3601	1.3754	-0.0272	0.2805	0.186	-0.1987	-0.0323	-0.1616	-0.2381	0.2782	0.0559	0.3472	-0.0256	0.074	0.3538	0.0268	0.2529	14.8141	38.3597	-46.2391
30	1.7878	-0.3898	-0.3411	1.6246	0.3132	1.1094	0.1119	0.4837	0.091	-0.548	-0.0715	-0.182	-0.1973	0.1425	-0.0345	0.3864	-0.0028	0.0927	0.4138	0.0203	0.2294	17.5255	28.822	-52.7427
31	2.5183	0.406	0.121	2.0681	-0.1611	2.0105	0.107	0.5092	-0.0175	-0.5403	-0.0518	-0.4455	-0.1457	0.4194	-0.0307	0.3253	0.0471	0.0956	0.3541	-0.0205	0.2489	18.3515	23.9543	-50.768
32	0.7083	0.0927	0.6896	0.4254	-0.2238	2.673	-0.1174	0.0579	0.0168	-0.0671	0.0543	0.1876	-0.3497	-0.2387	0.0672	0.2867	0.0762	-0.0592	0.2968	-0.0729	0.2557	-21.1319	25.5179	-54.2617
33	1.6682	0.3318	0.0561	1.4405	-0.0933	1.3836	0.0177	0.0158	0.0563	-0.0796	-0.0639	0.2538	-0.1131	-0.2675	0.0557	0.2366	0.0289	-0.059	0.2761	-0.0442	0.2486	-22.5348	27.8696	-31.806
34	3.3812	2.3967	1.2418	5.2761	-2.5132	3.6754	-0.3631	-0.2192	0.1222	-0.7806	0.4079	0.8284	-0.0849	0.5674	-0.0599	0.3462	0.1119	-0.0656	0.3816	-0.0808	0.3003	-2.9681	19.1838	-47.9286

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 6 through 45 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 46 through 112 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 113 through 134 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 135 through 165 )
5	X-RAY DIFFRACTION	5	chain 'A' and (resid 166 through 215 )
6	X-RAY DIFFRACTION	6	chain 'A' and (resid 216 through 350 )
7	X-RAY DIFFRACTION	7	chain 'A' and (resid 351 through 383 )
8	X-RAY DIFFRACTION	8	chain 'A' and (resid 384 through 424 )
9	X-RAY DIFFRACTION	9	chain 'A' and (resid 425 through 469 )
10	X-RAY DIFFRACTION	10	chain 'A' and (resid 502 through 502 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 9 through 215 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 216 through 350 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 351 through 383 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 384 through 424 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 425 through 469 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 503 through 503 )
17	X-RAY DIFFRACTION	17	chain 'C' and (resid 10 through 150 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 151 through 215 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 216 through 350 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 351 through 383 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 384 through 469 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 502 through 502 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 8 through 34 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 35 through 63 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 64 through 112 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 113 through 150 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 151 through 215 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 216 through 279 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 280 through 305 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 306 through 350 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 351 through 383 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 384 through 424 )
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 425 through 469 )
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 502 through 502 )

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