PDB-3ztr: Hexagonal form P6122 of the Aquifex aeolicus nucleoside diphospha...

ID or keywords:

Entry

Database: PDB / ID: 3ztr

Title

Hexagonal form P6122 of the Aquifex aeolicus nucleoside diphosphate kinase (FIRST STAGE OF RADIATION DAMAGE)

Components

NUCLEOSIDE DIPHOSPHATE KINASE

Keywords

TRANSFERASE / NUCLEOSIDE DIPHOSPHATE KINASE / DISULFIDE BRIDGE

Function / homology

Function and homology information

purine nucleotide metabolic process / pyrimidine nucleotide metabolic process / nucleoside-diphosphate kinase / UTP biosynthetic process / CTP biosynthetic process / nucleoside diphosphate kinase activity / GTP biosynthetic process / ATP binding / metal ion binding / cytoplasm
Similarity search - Function

Biological species

AQUIFEX AEOLICUS (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.3 Å

Authors

Boissier, F. / Georgescauld, F. / Moynie, L. / Dupuy, J.-W. / Sarger, C. / Podar, M. / Lascu, I. / Giraud, M.-F. / Dautant, A.

Citation

Journal: Proteins / Year: 2012
Title: An Inter-Subunit Disulphide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus
Authors: Boissier, F. / Georgescauld, F. / Moynie, L. / Dupuy, J.-W. / Sarger, C. / Podar, M. / Lascu, L. / Giraud, M.-F. / Dautant, A.

History

Deposition	Jul 12, 2011	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Mar 14, 2012	Provider: repository / Type: Initial release
Revision 1.1	May 23, 2012	Group: Other
Revision 1.2	Dec 20, 2023	Group: Data collection / Database references ...Data collection / Database references / 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 Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf
Revision 1.3	Oct 16, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Summary document	3ztr_validation.pdf.gz	491.4 KB	Display	wwPDB validaton report
Full document	3ztr_full_validation.pdf.gz	505.5 KB	Display
Data in XML	3ztr_validation.xml.gz	68.7 KB	Display
Data in CIF	3ztr_validation.cif.gz	96.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/zt/3ztr ftp://data.pdbj.org/pub/pdb/validation_reports/zt/3ztr	HTTPS FTP

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Related structure data

Related structure data	3ztoSC 3ztpC 3ztqC 3ztsC C: citing same article (ref.) S: Starting model for refinement
Similar structure data	3zts-2 3ztq-2 3ztq-1 3zts-1 3zts-3 3zto-1 3a23-1 5ey9-1 5msc-d 6aes-2 Search similar-shape structures by Omokage search (details) 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

Related structure data

3ztoSC

3ztpC

3ztqC

3ztsC

C: citing same article (ref.)

S: Starting model for refinement

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI

Deposited unit

A: NUCLEOSIDE DIPHOSPHATE KINASE

B: NUCLEOSIDE DIPHOSPHATE KINASE

C: NUCLEOSIDE DIPHOSPHATE KINASE

D: NUCLEOSIDE DIPHOSPHATE KINASE

E: NUCLEOSIDE DIPHOSPHATE KINASE

F: NUCLEOSIDE DIPHOSPHATE KINASE

G: NUCLEOSIDE DIPHOSPHATE KINASE

H: NUCLEOSIDE DIPHOSPHATE KINASE

I: NUCLEOSIDE DIPHOSPHATE KINASE

J: NUCLEOSIDE DIPHOSPHATE KINASE

K: NUCLEOSIDE DIPHOSPHATE KINASE

L: NUCLEOSIDE DIPHOSPHATE KINASE

192 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: NUCLEOSIDE DIPHOSPHATE KINASE

B: NUCLEOSIDE DIPHOSPHATE KINASE

C: NUCLEOSIDE DIPHOSPHATE KINASE

D: NUCLEOSIDE DIPHOSPHATE KINASE

defined by author&software
63.9 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

E: NUCLEOSIDE DIPHOSPHATE KINASE

F: NUCLEOSIDE DIPHOSPHATE KINASE

G: NUCLEOSIDE DIPHOSPHATE KINASE

H: NUCLEOSIDE DIPHOSPHATE KINASE

defined by author&software
63.9 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

I: NUCLEOSIDE DIPHOSPHATE KINASE

J: NUCLEOSIDE DIPHOSPHATE KINASE

K: NUCLEOSIDE DIPHOSPHATE KINASE

L: NUCLEOSIDE DIPHOSPHATE KINASE

defined by author&software
63.9 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	200.710, 200.710, 246.731
Angle α, β, γ (deg.)	90.00, 90.00, 120.00
Int Tables number	178
Space group name H-M	P6₁22

Components on special symmetry positions

ID	Model	Components
1	1	B-2067- HOH
2	1	B-2091- HOH

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Selection details
1	1	1	CHAIN A AND RESID 2:142 AND BACKBONE
2	1	1	CHAIN B AND RESID 2:142 AND BACKBONE
3	1	1	CHAIN C AND RESID 2:142 AND BACKBONE
4	1	1	CHAIN D AND RESID 2:142 AND BACKBONE
5	1	1	CHAIN E AND RESID 2:142 AND BACKBONE
6	1	1	CHAIN F AND RESID 2:142 AND BACKBONE
7	1	1	CHAIN G AND RESID 2:142 AND BACKBONE
8	1	1	CHAIN H AND RESID 2:142 AND BACKBONE
9	1	1	CHAIN I AND RESID 2:142 AND BACKBONE
10	1	1	CHAIN J AND RESID 2:142 AND BACKBONE
11	1	1	CHAIN K AND RESID 2:142 AND BACKBONE
12	1	1	CHAIN L AND RESID 2:142 AND BACKBONE
1	1	2	CHAIN A AND SIDECHAIN AND RESSEQ 2:142 AND NOT (RESSEQ 96 OR RESSEQ 114)
2	1	2	CHAIN B AND SIDECHAIN AND RESSEQ 2:142 AND NOT (RESSEQ 96 OR RESSEQ 114)
3	1	2	CHAIN E AND SIDECHAIN AND RESSEQ 2:142 AND NOT (RESSEQ 96 OR RESSEQ 114)
4	1	2	CHAIN F AND SIDECHAIN AND RESSEQ 2:142 AND NOT (RESSEQ 96 OR RESSEQ 114)
5	1	2	CHAIN I AND SIDECHAIN AND RESSEQ 2:142 AND NOT (RESSEQ 96 OR RESSEQ 114)
6	1	2	CHAIN J AND SIDECHAIN AND RESSEQ 2:142 AND NOT (RESSEQ 96 OR RESSEQ 114)
1	1	3	CHAIN C AND SIDECHAIN AND RESSEQ 2:142 AND NOT (RESSEQ 96 OR RESSEQ 100 OR RESSEQ 114)
2	1	3	CHAIN D AND SIDECHAIN AND RESSEQ 2:142 AND NOT (RESSEQ 96 OR RESSEQ 100 OR RESSEQ 114)
3	1	3	CHAIN G AND SIDECHAIN AND RESSEQ 2:142 AND NOT (RESSEQ 96 OR RESSEQ 100 OR RESSEQ 114)
4	1	3	CHAIN H AND SIDECHAIN AND RESSEQ 2:142 AND NOT (RESSEQ 96 OR RESSEQ 100 OR RESSEQ 114)
5	1	3	CHAIN K AND SIDECHAIN AND RESSEQ 2:142 AND NOT (RESSEQ 96 OR RESSEQ 100 OR RESSEQ 114)
6	1	3	CHAIN L AND SIDECHAIN AND RESSEQ 2:142 AND NOT (RESSEQ 96 OR RESSEQ 100 OR RESSEQ 114)

NCS ensembles :

ID
1
2
3

#1: Protein	NUCLEOSIDE DIPHOSPHATE KINASE / NDK / NDP KINASE / NUCLEOSIDE-2-P KINASE Mass: 15963.325 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) AQUIFEX AEOLICUS (bacteria) / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: O67528, nucleoside-diphosphate kinase
#2: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 1061 / Source method: isolated from a natural source / Formula: H₂O
Has protein modification	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: 3.75 Å³/Da / Density % sol: 67.2 % / Description: NONE
Crystal grow	pH: 5.5 / Details: 25% PEG 3350, 0.2 M NACL, 0.1 M BIS-TRIS PH 5.5.

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: SOLEIL / Beamline: PROXIMA 1 / Wavelength: 0.98
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Oct 22, 2008 / Details: KIRKPATRICK BAEZ
Radiation	Monochromator: SI 111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.98 Å / Relative weight: 1
Reflection	Resolution: 2.3→52.44 Å / Num. obs: 221854 / % possible obs: 92 % / Observed criterion σ(I): 1 / Redundancy: 4.2 % / B_iso Wilson estimate: 18.39 Å² / R_merge(I) obs: 0.14 / Net I/σ(I): 8
Reflection shell	Resolution: 2.3→2.42 Å / Redundancy: 4.2 % / R_merge(I) obs: 0.35 / Mean I/σ(I) obs: 3.6 / % possible all: 93.4

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Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE)	refinement
MOSFLM		data reduction
SCALA		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 3ZTO

3zto

Resolution: 2.3→52.444 Å / SU ML: 0.28 / σ(F): 0.49 / Phase error: 25.9 / Stereochemistry target values: ML
Details: IN THE SSBOND CARDS: THE FIRST ATOM BELONGS TO THE ALTERNATE CONFORMER A (WITH OCCUPANCY Q1). THE SECOND ONE BELONGS TO THE ALTERNATE CONFORMER B (WITH OCCUPANCY Q2). ABS(Q1 - Q2)*100 IS THE ...

	R_factor	Num. reflection	% reflection
R_free	0.22	11149	5 %
R_work	0.1915	-	-
obs	0.1929	221854	89.82 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / B_sol: 39.445 Å² / k_sol: 0.392 e/Å³

Displacement parameters

B_iso mean: 23.8 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	0.9956 Å²	0 Å²	0 Å²
2-	-	0.9956 Å²	0 Å²
3-	-	-	-1.9912 Å²

Refinement step

Cycle: LAST / Resolution: 2.3→52.444 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	13380	0	0	1061	14441

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.012	13731
X-RAY DIFFRACTION	f_angle_d	1.214	18489
X-RAY DIFFRACTION	f_dihedral_angle_d	15.03	5247
X-RAY DIFFRACTION	f_chiral_restr	0.084	1995
X-RAY DIFFRACTION	f_plane_restr	0.005	2448

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Type	Rms dev position (Å)
1	1	A	565	X-RAY DIFFRACTION	POSITIONAL
1	2	B	565	X-RAY DIFFRACTION	POSITIONAL	0.025
1	3	C	563	X-RAY DIFFRACTION	POSITIONAL	0.035
1	4	D	564	X-RAY DIFFRACTION	POSITIONAL	0.035
1	5	E	565	X-RAY DIFFRACTION	POSITIONAL	0.029
1	6	F	563	X-RAY DIFFRACTION	POSITIONAL	0.024
1	7	G	564	X-RAY DIFFRACTION	POSITIONAL	0.035
1	8	H	563	X-RAY DIFFRACTION	POSITIONAL	0.028
1	9	I	564	X-RAY DIFFRACTION	POSITIONAL	0.032
1	10	J	565	X-RAY DIFFRACTION	POSITIONAL	0.028
1	11	K	563	X-RAY DIFFRACTION	POSITIONAL	0.036
1	12	L	565	X-RAY DIFFRACTION	POSITIONAL	0.031
2	1	A	543	X-RAY DIFFRACTION	POSITIONAL
2	2	B	543	X-RAY DIFFRACTION	POSITIONAL	0.058
2	3	E	543	X-RAY DIFFRACTION	POSITIONAL	0.091
2	4	F	539	X-RAY DIFFRACTION	POSITIONAL	0.052
2	5	I	538	X-RAY DIFFRACTION	POSITIONAL	0.065
2	6	J	543	X-RAY DIFFRACTION	POSITIONAL	0.065
3	1	C	529	X-RAY DIFFRACTION	POSITIONAL
3	2	D	529	X-RAY DIFFRACTION	POSITIONAL	0.057
3	3	G	529	X-RAY DIFFRACTION	POSITIONAL	0.06
3	4	H	536	X-RAY DIFFRACTION	POSITIONAL	0.092
3	5	K	536	X-RAY DIFFRACTION	POSITIONAL	0.053
3	6	L	534	X-RAY DIFFRACTION	POSITIONAL	0.063

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 (%)
2.3-2.3822	0.2857	1115	0.2487	21661	X-RAY DIFFRACTION	92
2.3822-2.4776	0.27	1155	0.2355	21576	X-RAY DIFFRACTION	92
2.4776-2.5904	0.251	1102	0.218	21629	X-RAY DIFFRACTION	92
2.5904-2.7269	0.2369	1242	0.2061	21350	X-RAY DIFFRACTION	92
2.7269-2.8978	0.2371	1118	0.2018	21425	X-RAY DIFFRACTION	91
2.8978-3.1215	0.226	1095	0.1948	21213	X-RAY DIFFRACTION	90
3.1215-3.4355	0.2057	1087	0.1849	21157	X-RAY DIFFRACTION	90
3.4355-3.9325	0.2055	1111	0.1727	21291	X-RAY DIFFRACTION	91
3.9325-4.954	0.1616	1046	0.1445	20296	X-RAY DIFFRACTION	86
4.954-52.4575	0.2122	1078	0.1868	19107	X-RAY DIFFRACTION	82

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	0.5566	-0.3476	-0.2734	0.3907	0.1462	0.1499	-0.1046	-0.1355	-0.0869	0.1445	0.0607	-0.0168	0.0414	0.0147	0.0173	0.0453	0.0474	-0.0095	0.0978	0.0105	0.0392	36.3475	-76.1254	-2.1538
2	0.2097	-0.1156	-0.6045	0.083	0.41	2.0584	-0.0013	-0.1534	-0.0403	0.0341	0.1194	0.1043	-0.2576	0.1316	-0.1029	0.2523	0.0851	0.0675	0.5354	0.2032	0.2408	31.8743	-89.9702	7.5228
3	0.132	-0.1047	0.1486	0.7283	-0.3004	0.7617	0.0453	0.0639	0.0042	-0.1702	-0.0629	-0.02	-0.1154	0.139	0.039	0.0463	0.05	-0	-0.0176	0.0109	0.0217	47.9388	-69.485	-23.9534
4	0.0188	-0.0377	-0.0876	0.0917	0.1877	1.6907	0.0198	-0.0288	0.0533	-0.1441	0.1778	-0.0674	-0.1482	-0.0652	-0.1874	0.5362	-0.0377	0.2265	0.4308	-0.0263	0.0971	61.9739	-72.6403	-33.8264
5	0.8521	-0.5441	0.3645	0.4901	-0.1402	0.4781	-0.0654	-0.068	-0.0174	0.0618	0.0095	0.0195	0.0886	0.1333	0.0439	0.0791	0.0704	-0.0012	0.1096	0.0176	0.0561	63.8511	-95.6831	-2.8859
6	0.0275	-0.0434	-0.0878	0.0704	0.1404	0.282	-0.086	-0.0551	0.0504	0.0085	0.0018	-0.0026	-0.1329	-0.1024	0.0825	0.3946	0.2231	-0.2063	0.3586	-0.1723	0.2672	68.6834	-81.5958	6.2158
7	0.3411	-0.1664	-0.0065	0.7332	0.5403	0.5986	0.0319	0.1175	-0.0465	-0.0573	-0.0553	0.0564	0.1662	0.0053	0.0197	0.0961	0.0436	-0.0063	0.0648	-0.0068	0.0544	50.8262	-103.0462	-23.663
8	0.1285	0.0661	0.3521	0.082	-0.0359	2.0729	0.0175	0.0755	-0.0532	-0.0186	0.0693	0.0484	-0.1476	-0.0032	-0.0736	0.411	0.0676	-0.0905	0.4008	0.0124	0.3021	36.1194	-99.9999	-32.5473
9	0.4832	0.179	0.5081	0.405	0.0992	0.6122	0.052	-0.1198	-0.0047	0.0043	-0.0341	0.1023	-0.063	-0.0151	0.0177	0.0074	-0.0143	-0.0024	0.0972	-0.0187	0.0428	15.1856	-50.8437	-16.2405
10	0.1583	0.0129	-0.1382	0.0401	0.0896	0.3888	0.2265	0.0202	0.0667	-0.0624	-0.0396	-0.0274	-0.2731	0.0889	-0.1772	0.3307	-0.0354	0.1002	0.4679	-0.2121	0.2379	5.2394	-40.3819	-6.4103
11	0.0669	0.1598	-0.1007	0.7256	-0.1009	0.3177	0.0182	0.0813	0.041	-0.0416	0.0117	0.165	-0.0113	-0.0935	0.019	0.0038	0.0186	-0.019	0.0667	-0.0126	0.0078	15.3993	-64.3465	-37.9482
12	1.0714	-0.4323	-1.53	0.19	0.4413	4.1822	0.3148	0.0825	-0.12	-0.0308	-0.1699	-0.0526	-0.3642	-0.3641	-0.1268	0.3207	0.0969	-0.091	0.36	-0.1472	0.1623	5.7844	-75.3381	-47.5491
13	1.127	0.2398	-0.2189	0.3853	-0.0716	0.3006	-0.0379	-0.2091	0.025	0.0653	0.0085	-0.0195	0.1116	-0.1062	0.0045	0.0381	-0.0136	0.0042	0.1397	0.0183	0.0337	-15.1222	-65.6018	-16.4667
14	0.2817	-0.0207	0.3297	0.0215	0.0953	1.1008	-0.0729	-0.2489	-0.0709	0.0681	0.0411	0.0166	-0.3366	0.0703	0.0378	0.4162	0.0079	-0.0955	0.4701	0.1431	0.0968	-5.0263	-76.6507	-7.4968
15	0.0563	-0.0501	0.1219	1.0463	-0.4048	0.3797	0.0012	-0.0078	-0.0334	-0.021	-0.0254	-0.1824	0.0603	0.1055	0.0103	0.0135	0.0213	-0.0081	0.0962	-0.0065	0.0219	-15.4774	-50.8423	-37.4067
16	0.006	-0.0093	-0.0123	0.3568	0.5016	0.7307	-0.2937	-0.1222	-0.2309	-0.0361	0.3072	0.1436	0.0048	0.3344	-0.0069	0.1775	0.0121	0.0933	0.4282	0.1595	0.3078	-5.8326	-39.4461	-46.447
17	0.2825	0.4185	0.3483	0.7278	0.377	0.6413	-0.0304	-0.1029	0.0078	0.0928	-0.01	-0.0638	-0.0416	0.1275	0.0234	0.0718	-0.0264	-0.0012	0.1616	0.0106	0.0928	15.1853	-50.7935	39.9646
18	0.8909	0.3197	-0.3216	0.1334	-0.1229	0.1192	-0.1053	-0.5017	0.0042	-0.0603	-0.0936	0.0068	0.2619	-0.0927	0.1953	0.2234	-0.0344	0.0718	0.5668	-0.1009	0.1379	5.1079	-40.314	49.6447
19	0.4374	-0.2023	-0.4128	0.2885	0.1335	0.8289	0.0073	0.0824	-0.0422	0.0294	-0.0738	0.0366	0.1599	0.1335	0.0706	0.0124	0.0225	0.006	0.1213	0.0324	0.0243	15.5319	-64.2797	18.2266
20	0.0406	-0.0406	-0.2392	0.09	-0.0204	2.9341	-0.0504	0.11	-0.084	-0.1991	0.0676	-0.0255	-0.4249	-0.3345	-0.0075	0.3941	0.0077	-0.0911	0.6175	-0.16	0.2089	6.078	-75.1359	8.3793
21	0.4871	0.4645	-0.4699	0.624	-0.5533	0.8195	-0.0216	-0.132	0.0316	0.0863	-0.0432	-0.0615	-0.0622	-0.0765	0.016	0.0128	-0.0426	0.0422	0.1009	-0.0039	0.0482	-15.087	-65.7138	39.291
22	1.245	-0.1241	-0.0806	0.7693	-0.9151	1.3431	0.1489	-0.7047	-0.3605	-0.0358	0.0462	0.098	0.0065	-0.1387	-0.1868	0.3746	-0.1401	-0.0589	0.656	0.2215	0.4291	-5.0935	-76.7121	48.4164
23	0.391	-0.4642	0.3984	0.8842	-0.2504	1.0822	-0.0834	0.0861	-0.0012	-0.0271	0.0285	0.1673	-0.1467	-0.2527	0.0318	0.0545	-0.0028	0	0.1397	0.0062	0.0653	-15.2499	-50.7815	18.5463
24	0.127	-0.0095	0.0781	0.0057	0.0359	1.2653	0.0957	0.0639	0.04	-0.1263	-0.1687	-0.0182	0.6082	0.4061	0.0779	0.5176	0.0377	0.0402	0.5018	0.1839	0.2188	-5.6066	-39.318	9.6094

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(CHAIN A AND (RESSEQ 2:51 OR RESSEQ 58:142))
2	X-RAY DIFFRACTION	2	(CHAIN A AND RESSEQ 52:57)
3	X-RAY DIFFRACTION	3	(CHAIN B AND (RESSEQ 2:51 OR RESSEQ 58:142))
4	X-RAY DIFFRACTION	4	(CHAIN B AND RESSEQ 52:57)
5	X-RAY DIFFRACTION	5	(CHAIN C AND (RESSEQ 2:51 OR RESSEQ 58:142)
6	X-RAY DIFFRACTION	6	(CHAIN C AND RESSEQ 52:57)
7	X-RAY DIFFRACTION	7	(CHAIN D AND (RESSEQ 2:51 OR RESSEQ 58:142)
8	X-RAY DIFFRACTION	8	(CHAIN D AND RESSEQ 52:57)
9	X-RAY DIFFRACTION	9	(CHAIN E AND (RESSEQ 2:51 OR RESSEQ 58:142)
10	X-RAY DIFFRACTION	10	(CHAIN E AND RESSEQ 52:57)
11	X-RAY DIFFRACTION	11	(CHAIN F AND (RESSEQ 2:51 OR RESSEQ 58:142)
12	X-RAY DIFFRACTION	12	(CHAIN F AND RESSEQ 52:57)
13	X-RAY DIFFRACTION	13	(CHAIN G AND (RESSEQ 2:51 OR RESSEQ 58:142)
14	X-RAY DIFFRACTION	14	(CHAIN G AND RESSEQ 52:57)
15	X-RAY DIFFRACTION	15	(CHAIN H AND (RESSEQ 2:51 OR RESSEQ 58:142)
16	X-RAY DIFFRACTION	16	(CHAIN H AND RESSEQ 52:57)
17	X-RAY DIFFRACTION	17	(CHAIN I AND (RESSEQ 2:51 OR RESSEQ 58:142)
18	X-RAY DIFFRACTION	18	(CHAIN I AND RESSEQ 52:57)
19	X-RAY DIFFRACTION	19	(CHAIN J AND (RESSEQ 2:51 OR RESSEQ 58:142)
20	X-RAY DIFFRACTION	20	(CHAIN J AND RESSEQ 52:57)
21	X-RAY DIFFRACTION	21	(CHAIN K AND (RESSEQ 2:51 OR RESSEQ 58:142)
22	X-RAY DIFFRACTION	22	(CHAIN K AND RESSEQ 52:57)
23	X-RAY DIFFRACTION	23	(CHAIN L AND (RESSEQ 2:51 OR RESSEQ 58:142)
24	X-RAY DIFFRACTION	24	(CHAIN L AND RESSEQ 52:57)

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