PDB-3zg1: NI-BOUND FORM OF M123A MUTANT OF CUPRIAVIDUS METALLIDURANS CH34 CNRXS

ID or keywords:

Entry

Database: PDB / ID: 3zg1

Title

NI-BOUND FORM OF M123A MUTANT OF CUPRIAVIDUS METALLIDURANS CH34 CNRXS

Components

NICKEL AND COBALT RESISTANCE PROTEIN CNRR

Keywords

METAL BINDING PROTEIN /

SENSOR PROTEIN /

SIGNAL TRANSDUCTION

Function / homology

Function and homology information

periplasmic space
Similarity search - Function

Biological species

CUPRIAVIDUS METALLIDURANS (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.85 Å

Authors

Girard, E. / Coves, J.

Citation

Journal: Metallomics / Year: 2014
Title: Metal Sensing and Signal Transduction by Cnrx from Cupriavidus Metallidurans Ch34: Role of the Only Methionine Assessed by a Functional, Spectroscopic, and Theoretical Study
Authors: Trepreau, J. / Grosse, C. / Mouesca, J.-M. / Sarret, G. / Girard, E. / Petit-Haertlein, I. / Kuennemann, S. / Desbourdes, C. / De Rosny, E. / Maillard, A.P. / Nies, D.H. / Coves, J.

History

Deposition	Dec 13, 2012	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Oct 23, 2013	Provider: repository / Type: Initial release
Revision 1.1	Nov 6, 2013	Group: Database references
Revision 1.2	Feb 12, 2014	Group: Database references
Revision 1.3	Dec 20, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	3zg1.cif.gz	199.2 KB	Display	PDBx/mmCIF format
PDB format	pdb3zg1.ent.gz	160.5 KB	Display	PDB format
PDBx/mmJSON format	3zg1.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/zg/3zg1 ftp://data.pdbj.org/pub/pdb/validation_reports/zg/3zg1	HTTPS FTP

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Related structure data

Related structure data	2y3hS 2y39 2y3b 2y3d 2y3g S: Starting model for refinement
Similar structure data	5hod-d 1ou9-2 3epv-2 4wwf-2 2y3g-1 2y3h-2 2q07-d 3s0x-1 7awu-d 5rfr-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

Deposited unit

A: NICKEL AND COBALT RESISTANCE PROTEIN CNRR

B: NICKEL AND COBALT RESISTANCE PROTEIN CNRR

C: NICKEL AND COBALT RESISTANCE PROTEIN CNRR

D: NICKEL AND COBALT RESISTANCE PROTEIN CNRR

hetero molecules

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

1

C: NICKEL AND COBALT RESISTANCE PROTEIN CNRR

D: NICKEL AND COBALT RESISTANCE PROTEIN CNRR

hetero molecules

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

2

A: NICKEL AND COBALT RESISTANCE PROTEIN CNRR

B: NICKEL AND COBALT RESISTANCE PROTEIN CNRR

hetero molecules

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

Unit cell

Length a, b, c (Å)	31.846, 79.125, 93.475
Angle α, β, γ (deg.)	90.00, 90.10, 90.00
Int Tables number	4
Space group name H-M	P12₁1

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Protein , 1 types, 4 molecules ABCD

#1: Protein	NICKEL AND COBALT RESISTANCE PROTEIN CNRR Mass: 16600.791 Da / Num. of mol.: 4 / Fragment: METAL-SENSOR DOMAIN, RESIDUES 31-148 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) CUPRIAVIDUS METALLIDURANS (bacteria) / Strain: CH34 / Plasmid: PET30 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P37975

#1: Protein

NICKEL AND COBALT RESISTANCE PROTEIN CNRR

Mass: 16600.791 Da / Num. of mol.: 4 / Fragment: METAL-SENSOR DOMAIN, RESIDUES 31-148 / Mutation: YES
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

CUPRIAVIDUS METALLIDURANS (bacteria) / Strain: CH34 / Plasmid: PET30 / Production host:

ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P37975

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Non-polymers , 6 types, 200 molecules

#2: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER / Diethylene glycol Mass: 106.120 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#3: Chemical	ChemComp-NI / NICKEL (II) ION / Nickel Mass: 58.693 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Ni
#4: Chemical	ChemComp-CL / CHLORIDE ION / Chloride Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#5: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₃H₈O₃
#6: Chemical	ChemComp-PGE / TRIETHYLENE GLYCOL / Polyethylene glycol Mass: 150.173 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₆H₁₄O₄
#7: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 186 / 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: 2.26 Å³/Da / Density % sol: 45 % / Description: NONE
Crystal grow	Details: 16-20% PEG2000MME, 15% GLYCEROL

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: ESRF / Beamline: ID23-2 / Wavelength: 0.8726
Detector	Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Mar 11, 2011 / Details: PT COATED MIRRORS IN A KIRKPATRICK-BAEZ GEOMETRY
Radiation	Monochromator: HORIZONTALLY DIFFRACTING SI (111) MONOCHROMATOR Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.8726 Å / Relative weight: 1
Reflection twin	Operator: h,-k,-l / Fraction: 0.4
Reflection	Resolution: 1.85→46.74 Å / Num. obs: 39483 / % possible obs: 99.5 % / Observed criterion σ(I): -3 / Redundancy: 5.3 % / R_merge(I) obs: 0.09 / Net I/σ(I): 11.3
Reflection shell	Resolution: 1.85→1.95 Å / Redundancy: 5.3 % / R_merge(I) obs: 0.97 / Mean I/σ(I) obs: 1.5 / % possible all: 98

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Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE)	refinement
XDS		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2Y3H

2y3h

Resolution: 1.85→46.737 Å / σ(F): 1.89 / Phase error: 34.8 / Stereochemistry target values: TWIN_LSQ_F

	R_factor	Num. reflection	% reflection
R_free	0.2224	1987	5 %
R_work	0.1763	-	-
obs	0.177	39447	99.52 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 1.85→46.737 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3468	0	62	186	3716

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.002	3713
X-RAY DIFFRACTION	f_angle_d	0.598	5014
X-RAY DIFFRACTION	f_dihedral_angle_d	12.725	1460
X-RAY DIFFRACTION	f_chiral_restr	0.042	544
X-RAY DIFFRACTION	f_plane_restr	0.004	684

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 (%)
1.8502-1.8965	0.3398	142	0.3159	2623	X-RAY DIFFRACTION	93
1.8965-1.9477	0.3244	134	0.288	2667	X-RAY DIFFRACTION	95
1.9477-2.005	0.3245	151	0.2602	2665	X-RAY DIFFRACTION	94
2.005-2.0697	0.2376	132	0.2373	2648	X-RAY DIFFRACTION	95
2.0697-2.1437	0.2735	157	0.2151	2678	X-RAY DIFFRACTION	94
2.1437-2.2295	0.2241	131	0.1982	2655	X-RAY DIFFRACTION	95
2.2295-2.331	0.2358	137	0.1958	2662	X-RAY DIFFRACTION	95
2.331-2.4539	0.2544	153	0.1896	2708	X-RAY DIFFRACTION	94
2.4539-2.6076	0.2637	140	0.1832	2649	X-RAY DIFFRACTION	95
2.6076-2.8088	0.2271	135	0.1754	2684	X-RAY DIFFRACTION	95
2.8088-3.0913	0.2235	145	0.1727	2697	X-RAY DIFFRACTION	95
3.0913-3.5384	0.2068	144	0.1525	2721	X-RAY DIFFRACTION	95
3.5384-4.4567	0.1757	141	0.1336	2658	X-RAY DIFFRACTION	94
4.4567-36.4407	0.1994	135	0.1481	2746	X-RAY DIFFRACTION	95

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	1.8427	-0.7786	-0.5992	6.3164	-6.1123	7.2187	-0.2135	0.224	-0.9648	0.1539	0.452	0.5318	0.1984	-1.2539	0.5269	0.2443	-0.0047	-0.0628	0.3719	-0.1039	0.5114	12.5212	18.6197	7.1791
2	1.8928	-1.3345	-0.4715	3.356	-1.4046	3.5702	0.0782	-0.0263	-0.2758	0.229	-0.1242	0.2176	-0.1167	0.0503	0.0517	0.1978	-0.0213	-0.0086	0.1668	0.0014	0.3183	8.9546	28.5172	13.2217
3	3.555	-0.1622	-0.9881	3.2945	-1.966	9.7788	0.1688	-0.1565	0.1701	-0.0576	0.0255	0.001	-0.0418	-0.0334	-0.0955	0.22	0.0566	0.0391	0.1998	0.0112	0.281	11.9641	36.8352	-4.8412
4	1.7171	0.3495	0.7712	0.7546	-0.2868	2.0374	0.1306	0.1857	0.4087	-0.2126	-0.1251	-0.0653	-0.2695	-0.1415	0.0658	0.3154	0.0918	0.0427	0.1892	0.0455	0.2922	17.2626	40.8618	-22.7562
5	2.2856	0.9609	-1.4222	3.2418	-4.0807	9.7084	0.1675	-0.0343	-0.0367	0.1125	0.0359	-0.0462	-0.3278	-0.0564	-0.2568	0.1914	0.0159	0.0314	0.1965	-0.0113	0.2441	20.9328	35.8975	-8.5809
6	2.1516	-0.421	-1.162	1.5517	-1.6024	2.8913	-0.1291	-0.2282	-0.036	-0.0603	-0.0372	-0.1136	0.1108	0.2501	0.1671	0.232	-0.0125	0.0176	0.1325	0.015	0.2186	19.2692	24.7381	13.077
7	3.8036	-1.0665	-3.3147	3.6862	1.4118	7.8395	0.0045	-0.1234	-0.5105	-0.0339	-0.1921	0.2484	0.4426	0.0045	0.1571	0.2483	0.0267	-0.0111	0.1493	0.002	0.3371	23.0777	14.9929	5.1294
8	5.7968	0.6453	0.9337	5.6914	1.2839	3.6379	0.293	-0.3563	-0.3286	0.2026	-0.2145	-0.3726	0.4947	-0.3583	0.238	0.2325	-0.0421	-0.0088	0.2499	0.0602	0.3319	13.3028	22.2687	-25.3283
9	2.4254	-0.6583	1.2746	2.8944	1.3437	8.4325	-0.2168	0.0803	-0.3715	-0.3421	-0.0912	0.1027	0.0039	-0.0493	0.3846	0.32	-0.0017	0.0267	0.1287	0.0082	0.3608	23.2411	19.93	-33.5029
10	5.9684	-0.395	2.0714	8.1231	1.7846	2.0436	-0.0087	0.2198	0.1057	0.1606	0.1784	0.0692	0.4768	0.3072	-0.0538	0.317	0.073	0.0171	0.3256	0.0268	0.2585	28.4705	20.8187	-17.2498
11	0.7528	-0.1848	0.2349	2.2298	-0.6451	3.7812	0.0062	0.0598	0.0285	-0.1115	-0.2034	-0.0255	0.395	0.2296	0.1656	0.2597	0.0352	-0.0006	0.1404	0.0038	0.2429	30.4988	23.1503	3.0675
12	4.8756	0.0294	4.4597	1.2487	0.1892	4.3046	-0.0471	0.3973	-0.1417	0.1159	0.0719	-0.2416	-0.2323	0.4793	0.05	0.2508	-0.0164	0.0004	0.1128	0.0044	0.2949	27.2342	29.717	-8.5849
13	2.9588	1.6813	3.3522	1.2963	1.9072	9.0751	-0.0781	0.3619	0.0944	0.0567	0.2079	0.3679	-0.0177	0.6628	-0.2543	0.1976	0.0054	0.0169	0.2122	0.0466	0.2832	22.2171	30.544	-25.3851
14	2.1259	0.3289	0.4479	2.2533	-0.2116	4.8542	0.0057	-0.2692	-0.2166	0.0441	-0.0114	0.2069	0.185	-0.3445	0.0357	0.1524	0.0222	-0.0097	0.2265	0.0117	0.2208	10.8124	31.1411	-28.8844
15	4.046	-2.7966	1.9218	3.6245	-4.1715	5.7198	-0.0418	-0.3364	0.5434	0.3203	0.104	1.0527	-0.7615	0.0145	-0.1629	0.3126	0.0002	0.0123	0.2977	-0.1602	0.6946	-3.0631	45.3623	21.031
16	2.3075	-0.3507	2.5145	4.1041	-2.6883	5.0128	-0.0596	-0.3008	0.5529	-0.2585	0.0489	0.1761	-0.1756	-0.352	-0.0256	0.1903	0.0271	-0.0096	0.1292	-0.0236	0.3263	-6.9458	37.273	11.751
17	5.3748	0.0048	3.4601	0.2147	-0.9251	6.2399	-0.1025	-0.1366	0.1831	0.0322	-0.0119	-0.4885	0.5498	-0.7905	0.1707	0.2706	-0.0305	0.011	0.1625	-0.0402	0.2686	-4.0792	29.4058	27.2104
18	1.2915	0.6335	-0.6558	1.916	-0.1063	8.8327	0.0926	0.089	0.0432	0.1949	0.0218	-0.0999	0.0289	-0.5281	-0.1653	0.2583	-0.0157	-0.0036	0.2076	0.019	0.2328	-2.8773	26.0419	46.3901
19	1.0032	-0.3479	0.4668	2.0777	0.9151	3.7297	-0.1172	-0.0185	-0.037	0.1675	0.2667	-0.0623	0.1638	0.1482	-0.1996	0.3323	-0.029	-0.0266	0.1118	0.0317	0.2893	5.9934	24.5593	48.4639
20	0.2045	0.0577	-0.0592	0.3938	-0.1336	0.799	-0.0378	-0.0015	-0.1202	0.0731	-0.0013	0.0135	0.1386	-0.0028	-0.1171	0.2961	0.0146	-0.0108	0.0281	0.0259	0.3678	4.6638	31.0491	32.636
21	1.4666	0.1805	0.3783	2.5233	-0.4495	2.4233	-0.1779	-0.1854	0.2593	0.234	0.1061	-0.1331	-0.4185	-0.2509	-0.0343	0.2727	0.0309	-0.019	0.0864	0.0067	0.3437	5.1776	44.9912	16.411
22	3.0464	-0.8553	1.2904	0.98	-2.2784	6.6518	-0.3713	0.2218	1.2399	-0.2797	0.1992	-1.2156	-0.9623	0.0154	0.2634	0.499	0.0442	0.0508	0.2033	0.0923	0.6386	-1.9925	42.4	48.2495
23	6.1662	3.1073	4.9578	2.0602	3.3199	5.3786	-0.3065	-0.3894	1.9351	0.3917	-0.1644	0.6683	-0.2674	-0.1803	0.702	0.5001	0.1221	0.083	0.4883	-0.044	0.674	-2.0648	46.0732	59.9045
24	5.2773	0.6969	-4.1781	2.1201	-0.7148	8.6199	-0.0227	-0.2971	0.7455	0.1256	0.2969	0.2882	-0.6127	0.4763	-0.1266	0.386	0.0114	0.0468	0.2633	-0.0249	0.328	8.2165	46.252	58.1189
25	1.2547	0.1107	0.5276	0.991	-1.0747	2.1813	-0.0811	-0.0077	0.068	0.2892	-0.2676	-0.0097	-1.3443	0.4438	0.1185	0.359	-0.0623	0.0097	0.1502	0.0011	0.3126	13.6317	44.6666	36.2664
26	1.154	-0.3783	-1.0053	1.5849	0.2682	3.9777	-0.1561	0.1196	0.2207	0.0481	-0.1068	-0.2233	-0.0173	0.741	0.2898	0.1902	-0.0361	0.011	0.1675	0.0481	0.2775	15.1391	38.5033	20.6673
27	0.6775	0.7238	0.5684	1.2279	-0.6842	7.7031	-0.1032	-0.0177	0.158	-0.0259	-0.0775	0.0399	-0.5301	-0.3278	0.1065	0.235	-0.0156	0.0071	0.0969	0.0039	0.2917	8.9009	35.7107	41.9946
28	1.598	0.9424	1.6794	1.3972	0.6724	3.612	-0.1205	-0.0211	0.0609	-0.1545	0.0373	-0.0124	-0.3645	-0.3766	0.0916	0.2169	0.028	0.0333	0.2686	0.028	0.258	-3.3491	34.9196	55.9683

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(CHAIN A AND RESID 40:51)
2	X-RAY DIFFRACTION	2	(CHAIN A AND RESID 52:68)
3	X-RAY DIFFRACTION	3	(CHAIN A AND RESID 69:79)
4	X-RAY DIFFRACTION	4	(CHAIN A AND RESID 80:102)
5	X-RAY DIFFRACTION	5	(CHAIN A AND RESID 103:113)
6	X-RAY DIFFRACTION	6	(CHAIN A AND RESID 114:134)
7	X-RAY DIFFRACTION	7	(CHAIN A AND RESID 135:148)
8	X-RAY DIFFRACTION	8	(CHAIN B AND RESID 40:51)
9	X-RAY DIFFRACTION	9	(CHAIN B AND RESID 52:66)
10	X-RAY DIFFRACTION	10	(CHAIN B AND RESID 67:74)
11	X-RAY DIFFRACTION	11	(CHAIN B AND RESID 75:102)
12	X-RAY DIFFRACTION	12	(CHAIN B AND RESID 103:113)
13	X-RAY DIFFRACTION	13	(CHAIN B AND RESID 114:124)
14	X-RAY DIFFRACTION	14	(CHAIN B AND RESID 125:148)
15	X-RAY DIFFRACTION	15	(CHAIN C AND RESID 40:50)
16	X-RAY DIFFRACTION	16	(CHAIN C AND RESID 51:65)
17	X-RAY DIFFRACTION	17	(CHAIN C AND RESID 66:74)
18	X-RAY DIFFRACTION	18	(CHAIN C AND RESID 75:92)
19	X-RAY DIFFRACTION	19	(CHAIN C AND RESID 93:103)
20	X-RAY DIFFRACTION	20	(CHAIN C AND RESID 104:116)
21	X-RAY DIFFRACTION	21	(CHAIN C AND RESID 117:148)
22	X-RAY DIFFRACTION	22	(CHAIN D AND RESID 39:45)
23	X-RAY DIFFRACTION	23	(CHAIN D AND RESID 46:54)
24	X-RAY DIFFRACTION	24	(CHAIN D AND RESID 55:67)
25	X-RAY DIFFRACTION	25	(CHAIN D AND RESID 68:86)
26	X-RAY DIFFRACTION	26	(CHAIN D AND RESID 87:104)
27	X-RAY DIFFRACTION	27	(CHAIN D AND RESID 105:119)
28	X-RAY DIFFRACTION	28	(CHAIN D AND RESID 120:148)

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