PDB-6aqo: Crystal structure of hypoxanthine-guanine-xanthine phosphorybosyl...

ID or keywords:

Entry

Database: PDB / ID: 6aqo

Title

Crystal structure of hypoxanthine-guanine-xanthine phosphorybosyltranferase in complex with {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)

Components

Hypoxanthine-guanine phosphoribosyltransferase

Keywords

TRANSFERASE/INHIBITOR / Purine salvage / Trypanosoma brucei / acyclic nucleoside phosphonates / TRANSFERASE / TRANSFERASE-INHIBITOR complex

Function / homology

Function and homology information

xanthine phosphoribosyltransferase activity / guanine phosphoribosyltransferase activity / guanine salvage / hypoxanthine metabolic process / hypoxanthine phosphoribosyltransferase activity / GMP salvage / IMP salvage / glycosome / phosphate ion binding / magnesium ion binding ...
Similarity search - Function

Biological species

Trypanosoma brucei brucei (eukaryote)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.64 Å

Authors

Teran, D. / Gudday, L.W.

Citation

Journal: PLoS Negl Trop Dis / Year: 2018
Title: Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery.
Authors: Dolezelova, E. / Teran, D. / Gahura, O. / Kotrbova, Z. / Prochazkova, M. / Keough, D. / Spacek, P. / Hockova, D. / Guddat, L. / Zikova, A.

History

Deposition	Aug 21, 2017	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Mar 14, 2018	Provider: repository / Type: Initial release
Revision 1.1	Oct 4, 2023	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _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_asym_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
Revision 1.2	Nov 15, 2023	Group: Data collection / Category: chem_comp_atom / chem_comp_bond / Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2
Revision 1.3	Nov 20, 2024	Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	6aqo.cif.gz	521.9 KB	Display	PDBx/mmCIF format
PDB format	pdb6aqo.ent.gz	432.4 KB	Display	PDB format
PDBx/mmJSON format	6aqo.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	6aqo_validation.pdf.gz	2.1 MB	Display	wwPDB validaton report
Full document	6aqo_full_validation.pdf.gz	2.2 MB	Display
Data in XML	6aqo_validation.xml.gz	49.1 KB	Display
Data in CIF	6aqo_validation.cif.gz	62.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/aq/6aqo ftp://data.pdbj.org/pub/pdb/validation_reports/aq/6aqo	HTTPS FTP

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Related structure data

Related structure data	6apsC 6aptC 6apuC 6apvC 6ar9C 6ap3 PDB Unreleased entryS S: Starting model for refinement C: citing same article (ref.)
Similar structure data	6mxc-3 6mxb-2 6mxb-1 6mxb-3 6ar9-1 6ar9-2 3m4v-2 6mxc-1 3ekb-1 6ar9-3 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

6ap3
PDB Unreleased entryS

S: Starting model for refinement

C: citing same article (ref.)

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#151 - Jul 2012 Hypoxanthine-guanine phosphoribosyltransferase similarity (3)

Deposited unit

A: Hypoxanthine-guanine phosphoribosyltransferase

B: Hypoxanthine-guanine phosphoribosyltransferase

C: Hypoxanthine-guanine phosphoribosyltransferase

D: Hypoxanthine-guanine phosphoribosyltransferase

E: Hypoxanthine-guanine phosphoribosyltransferase

F: Hypoxanthine-guanine phosphoribosyltransferase

hetero molecules

187 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Hypoxanthine-guanine phosphoribosyltransferase

E: Hypoxanthine-guanine phosphoribosyltransferase

hetero molecules

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

2

B: Hypoxanthine-guanine phosphoribosyltransferase

F: Hypoxanthine-guanine phosphoribosyltransferase

hetero molecules

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

3

C: Hypoxanthine-guanine phosphoribosyltransferase

D: Hypoxanthine-guanine phosphoribosyltransferase

hetero molecules

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

Unit cell

Length a, b, c (Å)	61.321, 107.841, 117.693
Angle α, β, γ (deg.)	90.00, 96.33, 90.00
Int Tables number	4
Space group name H-M	P12₁1

#1: Protein	Hypoxanthine-guanine phosphoribosyltransferase Mass: 30654.998 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Trypanosoma brucei brucei (strain 927/4 GUTat10.1) (eukaryote) Strain: 927/4 GUTat10.1 / Gene: Tb10.70.6660 / Production host: Escherichia coli (E. coli) / References: UniProt: Q38CA1
#2: Chemical	ChemComp-45T / {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid) Mass: 441.271 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₁₂H₂₁N₅O₉P₂
#3: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 47 / 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: 2.1 Å³/Da / Density % sol: 41.54 %
Crystal grow	Temperature: 293.15 K / Method: vapor diffusion, hanging drop / pH: 5 Details: 25% PEG 3350, 0.2 M lithium sulfate and 0.1 M Bis-Tris

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX1 / Wavelength: 0.9536 Å
Detector	Type: ADSC QUANTUM 270 / Detector: CCD / Date: Mar 18, 2017
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9536 Å / Relative weight: 1
Reflection	Resolution: 2.638→41.32 Å / Num. obs: 44654 / % possible obs: 99.2 % / Redundancy: 3.5 % / R_merge(I) obs: 0.065 / R_pim(I) all: 0.048 / Net I/σ(I): 8.8
Reflection shell	Resolution: 2.64→2.74 Å / R_merge(I) obs: 0.555 / Mean I/σ(I) obs: 1.3 / R_pim(I) all: 0.411 / % possible all: 94

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Processing

Software

Name	Version	Classification
PHENIX	1.11.1_2575	refinement
XDS		data reduction
XDS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 6AP3

6ap3
PDB Unreleased entry

Resolution: 2.64→41.32 Å / SU ML: 0.38 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 29.01

	R_factor	Num. reflection	% reflection
R_free	0.249	1999	4.48 %
R_work	0.191	-	-
obs	0.194	44601	99.4 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å

Refinement step

Cycle: LAST / Resolution: 2.64→41.32 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10037	0	170	47	10254

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	10403
X-RAY DIFFRACTION	f_angle_d	0.594	14078
X-RAY DIFFRACTION	f_dihedral_angle_d	9.485	6319
X-RAY DIFFRACTION	f_chiral_restr	0.046	1577
X-RAY DIFFRACTION	f_plane_restr	0.003	1774

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 (%)
2.6384-2.7044	0.3893	134	0.3108	2847	X-RAY DIFFRACTION	94
2.7044-2.7775	0.3404	142	0.2908	3044	X-RAY DIFFRACTION	100
2.7775-2.8592	0.3523	143	0.2759	3046	X-RAY DIFFRACTION	100
2.8592-2.9515	0.3037	143	0.264	3035	X-RAY DIFFRACTION	100
2.9515-3.057	0.3142	142	0.2369	3044	X-RAY DIFFRACTION	100
3.057-3.1793	0.2616	143	0.2247	3042	X-RAY DIFFRACTION	100
3.1793-3.324	0.3378	143	0.2212	3058	X-RAY DIFFRACTION	100
3.324-3.4991	0.2793	143	0.2	3033	X-RAY DIFFRACTION	100
3.4991-3.7182	0.2698	144	0.1905	3082	X-RAY DIFFRACTION	100
3.7182-4.0051	0.2076	144	0.1709	3067	X-RAY DIFFRACTION	100
4.0051-4.4077	0.2265	144	0.1547	3058	X-RAY DIFFRACTION	100
4.4077-5.0445	0.2074	142	0.1481	3042	X-RAY DIFFRACTION	100
5.0445-6.3519	0.2211	146	0.1843	3085	X-RAY DIFFRACTION	100
6.3519-41.3251	0.2129	146	0.1766	3119	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	5.4563	2.0208	0.0269	2.3786	0.1186	1.1093	0.0073	0.046	0.0697	0.0142	-0.0598	-0.2346	-0.049	-0.0846	0.0811	0.4589	0.0771	-0.0495	0.2907	0.0216	0.3281	2.5348	-6.9455	-47.5318
2	5.4033	2.6853	1.2473	1.8437	1.4833	2.289	0.0257	0.2912	0.4141	-0.6629	-0.0922	0.4442	-0.3018	-0.0357	0.0774	0.5931	0.0434	-0.045	0.3701	0.0488	0.5169	1.0991	4.0068	-55.8694
3	2.4965	0.4568	0.3997	2.4826	1.0826	4.5849	-0.0198	0.1611	0.4153	-0.188	-0.0584	0.6706	-0.4616	-0.57	0.1235	0.4892	0.105	-0.0541	0.4783	0.0098	0.5661	-17.4469	-5.2178	-48.3781
4	6.3355	0.8751	-0.3503	9.0773	0.8754	8.4499	0.0509	-0.1146	-0.1145	0.0315	0.2589	0.3489	0.1267	-1.3078	-0.3146	0.6173	-0.0261	-0.0973	0.5784	0.1245	0.5186	-5.5762	-33.3149	-26.4121
5	4.8601	4.7714	5.4639	5.0637	5.4217	6.2427	0.1575	0.5902	-0.6076	0.222	0.1455	-0.4987	0.2756	0.4589	-0.2364	0.7998	-0.0042	-0.0513	0.6195	0.0556	0.4675	17.3186	-27.7597	-20.0848
6	8.4083	-0.7316	-1.7939	2.0673	0.207	2.9581	-0.444	-0.0082	0.7925	0.76	0.2364	-0.7879	-0.283	0.8287	0.2144	0.75	-0.1623	-0.1521	0.6151	-0.0132	0.5465	35.4282	-30.4025	-3.4191
7	5.0455	0.4838	1.0409	3.6739	1.2932	0.6748	-0.1445	-0.288	-0.084	0.158	0.0247	-0.1286	-0.0346	-0.198	0.1195	0.5747	0.0034	-0.082	0.4495	0.0328	0.3709	17.6896	-34.6395	-5.8035
8	4.8341	-2.1779	2.658	1.5464	-0.8644	1.8734	0.1319	-0.5076	0.2648	0.3505	-0.0028	-0.2723	-0.2012	-0.0323	-0.1462	0.6748	-0.0728	-0.0362	0.5868	0.0029	0.4955	12.5433	-22.617	-2.4674
9	3.4236	0.7002	0.6211	2.5223	0.8974	1.1937	0.0043	-0.4426	0.0757	0.2101	-0.0846	0.2443	-0.135	-0.3344	0.0834	0.5687	0.0438	0.0061	0.5107	0.0294	0.4212	2.2456	-30.0573	-13.5136
10	0.2461	0.8998	-1.1972	4.2978	-5.5152	7.1743	-0.6239	-0.5412	-0.597	0.8228	0.7347	-0.0295	-0.5592	-1.5685	-0.2739	0.5994	0.1296	0.0208	0.995	0.1363	0.6578	-10.0002	-34.117	-11.3911
11	8.0971	-2.6746	3.2773	3.2926	-1.329	3.5614	-0.4342	0.1164	0.0538	0.223	0.2774	0.4419	-0.7499	-0.4954	0.1959	0.5279	0.0846	-0.0058	0.5961	0.0036	0.5334	-30.6459	-11.4705	-70.8914
12	5.9963	-1.3071	1.8676	2.6954	-0.7238	4.4571	-0.0327	0.0588	-0.145	-0.0105	-0.0221	-0.2099	0.0881	0.1168	0.0281	0.3945	-0.031	0.0599	0.3231	-0.0063	0.3978	-6.627	-25.4366	-72.1096
13	8.0453	-0.5192	-0.9408	2.4041	0.192	2.2789	0.1502	0.0442	-0.7663	0.427	-0.0416	0.3404	0.3263	-0.4761	-0.1138	0.4877	-0.0564	0.013	0.4705	0.0214	0.573	-17.8847	-32.0898	-65.7931
14	2.7502	0.2789	-0.7954	2.7352	-0.1671	0.7482	0.0413	-0.0174	-0.1953	-0.0053	0.055	0.6984	0.1843	-0.1926	-0.1537	0.4193	-0.0567	0.0012	0.7006	0.0176	0.505	-32.7903	-24.2879	-72.6871
15	4.9193	-1.9602	-0.3991	6.1633	-0.2527	5.9821	-0.1741	-0.4644	0.1239	0.5451	-0.0287	-0.5766	-0.0216	0.2399	0.2983	0.6477	-0.0939	-0.1338	0.5734	0.1224	0.4706	-0.273	-4.2829	-81.8934
16	4.8837	5.3075	4.8324	5.8876	5.3918	4.916	-0.5806	-0.0261	0.6174	-1.0303	-0.0497	0.7573	-1.3883	-0.463	0.7405	0.8136	0.0405	-0.1361	0.582	0.023	0.6738	-20.9137	-7.3663	-90.912
17	3.51	-0.4458	1.5128	3.858	1.1256	4.35	-0.1224	0.0117	-0.0045	-0.0744	0.0497	0.5521	0.1221	-0.816	0.0455	0.5046	-0.0928	-0.0814	0.6581	0.0343	0.4474	-30.3206	-21.6525	-90.8815
18	2.8418	0.3257	-0.536	1.0875	0.1634	2.5649	0.0568	0.0887	-0.375	0.0057	-0.1022	0.0108	0.2214	-0.2374	0.0152	0.7318	-0.0259	-0.1195	0.5546	-0.0437	0.6229	-22.2767	-26.7236	-94.7572
19	3.0751	0.5925	1.7996	1.0579	0.7701	2.8721	-0.0147	0.316	-0.3831	-0.4582	0.1342	-0.0539	0.2315	-0.0014	-0.1083	0.6907	-0.0089	-0.0267	0.4673	-0.0077	0.4067	-13.0098	-21.6778	-97.281
20	1.4653	-1.739	0.9052	4.8703	-0.9587	1.3454	-0.2349	-0.3184	-0.3625	-0.0784	0.1968	-0.2095	0.2876	0.4348	0.1121	0.47	0.1089	0.0295	0.6007	0.049	0.5148	0.7112	-17.7712	-82.7476
21	6.0998	0.459	-0.2008	7.3976	1.5704	5.8256	-0.3639	0.3198	0.4068	0.1688	0.24	-0.6535	-0.1147	0.3282	0.077	0.4605	0.0907	0.0307	0.3754	0.0926	0.4496	15.6797	-22.0523	-34.1596
22	3.6039	-1.248	0.0715	3.4224	-0.1179	1.8774	0.2039	-0.3632	-0.3683	-0.1807	-0.0557	0.7638	-0.044	-0.4313	-0.1319	0.5179	0.0654	0.0102	0.4667	-0.002	0.5235	-16.8202	-8.8645	-30.4866
23	3.1492	0.3591	0.288	1.4202	-0.0248	3.0661	-0.0746	-0.3041	0.2505	0.0443	-0.0391	0.202	-0.1846	-0.36	0.1441	0.5248	0.1134	-0.0407	0.4941	-0.0456	0.489	-9.9404	-4.1969	-33.8988
24	2.9543	-0.0679	1.0556	1.1624	-0.4771	2.1123	-0.1829	-0.3675	0.4659	0.524	0.1	0.0218	-0.4122	-0.3158	0.0498	0.7035	0.1282	-0.0473	0.5561	-0.0526	0.5315	-3.0354	-4.8502	-21.3185
25	5.5736	1.6308	0.4034	5.227	-2.0539	3.8698	-0.2573	-0.0446	0.6675	0.0616	0.1959	-0.0253	-0.1908	0.2853	0.0308	0.4841	0.0462	-0.0323	0.3852	-0.0312	0.394	15.0152	-7.7297	-33.2789
26	8.783	2.1881	1.2763	6.5386	-0.4002	5.4061	-0.6927	-0.3085	0.6972	-0.3462	0.3493	-0.3123	-0.3441	0.272	0.3375	0.6203	-0.0064	-0.0062	0.4741	-0.0663	0.5633	31.9992	-47.4172	-22.5731
27	3.4735	1.7371	-3.696	1.4899	-1.6242	4.1232	-0.1919	0.296	-0.0197	-0.2448	-0.0561	0.2039	0.5275	-0.4952	0.2525	0.7386	0.0479	-0.0374	0.4709	-0.0501	0.4557	8.3962	-53.0879	-21.3587
28	3.5266	0.3402	1.8803	7.641	0.4064	5.8208	0.014	0.4712	-0.0454	0.5556	0.395	0.4492	0.0009	-0.9251	-0.223	0.6607	-0.1245	0.0893	0.9184	0.0152	0.5086	-12.9435	-50.8249	-8.5406
29	1.8013	1.3964	-1.1403	2.1709	-0.9994	0.7334	0.0485	-0.0777	0.1916	-0.1122	-0.0574	-0.0701	0.303	-0.1045	-0.0626	0.5622	-0.0369	0.0112	0.5438	-0.0114	0.3679	8.3502	-46.1491	-11.5593
30	5.3315	-1.5725	-1.7214	5.2169	-2.5102	2.4699	-0.0753	0.1415	-0.1958	0.2331	-0.3428	-0.2582	-0.3295	-0.3769	0.4285	0.5359	-0.0013	-0.0309	0.4952	0.0815	0.4948	2.691	-45.8338	-10.0155
31	6.5395	-3.6236	-0.9736	3.2354	-1.0485	2.5139	-0.5876	-1.4799	-0.2096	0.4303	0.799	-0.1954	-0.6571	-0.6643	0.0206	0.9145	-0.0121	0.2146	0.7275	-0.0112	0.608	-0.26	-47.6537	1.8832
32	8.1059	-2.751	-1.11	1.6519	-0.1805	0.8893	0.5263	-0.6103	-0.1101	0.182	-0.1029	-0.0408	0.5378	0.3856	-0.3053	0.7654	-0.0521	0.0321	0.6378	0.004	0.4909	8.2171	-56.9246	-0.9253
33	5.2919	-0.808	-0.1009	3.5464	-0.3746	0.4101	0.1204	-0.0362	-0.457	0.4079	-0.1773	0.03	0.2272	0.0055	0.0491	0.6974	-0.0205	-0.0334	0.5043	0.0303	0.4899	13.9935	-59.9008	-8.8113
34	5.4234	0.0111	0.1895	6.4049	0.8853	3.4812	0.1418	-0.7608	0.2705	-0.1421	-0.0006	0.2924	-0.622	0.0612	-0.1539	0.4735	-0.0191	-0.0194	0.456	0.0124	0.4088	24.9769	-45.5182	-11.9365
35	2.5926	-2.0794	-2.4925	6.2179	4.7345	4.079	-0.1023	-0.9614	-0.3591	-0.6085	0.1419	0.5625	-1.0246	1.2471	-0.1153	0.6121	-0.0346	-0.1991	0.7381	-0.026	0.7651	34.4809	-45.5843	-4.1893

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN 'A' AND (RESID 9 THROUGH 141 )
2	X-RAY DIFFRACTION	2	CHAIN 'A' AND (RESID 142 THROUGH 193 )
3	X-RAY DIFFRACTION	3	CHAIN 'A' AND (RESID 194 THROUGH 234 )
4	X-RAY DIFFRACTION	4	CHAIN 'B' AND (RESID 9 THROUGH 36 )
5	X-RAY DIFFRACTION	5	CHAIN 'B' AND (RESID 37 THROUGH 55 )
6	X-RAY DIFFRACTION	6	CHAIN 'B' AND (RESID 56 THROUGH 79 )
7	X-RAY DIFFRACTION	7	CHAIN 'B' AND (RESID 80 THROUGH 141 )
8	X-RAY DIFFRACTION	8	CHAIN 'B' AND (RESID 142 THROUGH 188 )
9	X-RAY DIFFRACTION	9	CHAIN 'B' AND (RESID 189 THROUGH 218 )
10	X-RAY DIFFRACTION	10	CHAIN 'B' AND (RESID 219 THROUGH 234 )
11	X-RAY DIFFRACTION	11	CHAIN 'C' AND (RESID 9 THROUGH 54 )
12	X-RAY DIFFRACTION	12	CHAIN 'C' AND (RESID 55 THROUGH 141 )
13	X-RAY DIFFRACTION	13	CHAIN 'C' AND (RESID 142 THROUGH 183 )
14	X-RAY DIFFRACTION	14	CHAIN 'C' AND (RESID 184 THROUGH 234 )
15	X-RAY DIFFRACTION	15	CHAIN 'D' AND (RESID 9 THROUGH 36 )
16	X-RAY DIFFRACTION	16	CHAIN 'D' AND (RESID 37 THROUGH 53 )
17	X-RAY DIFFRACTION	17	CHAIN 'D' AND (RESID 54 THROUGH 113 )
18	X-RAY DIFFRACTION	18	CHAIN 'D' AND (RESID 114 THROUGH 153 )
19	X-RAY DIFFRACTION	19	CHAIN 'D' AND (RESID 154 THROUGH 213 )
20	X-RAY DIFFRACTION	20	CHAIN 'D' AND (RESID 214 THROUGH 234 )
21	X-RAY DIFFRACTION	21	CHAIN 'E' AND (RESID 9 THROUGH 36 )
22	X-RAY DIFFRACTION	22	CHAIN 'E' AND (RESID 37 THROUGH 87 )
23	X-RAY DIFFRACTION	23	CHAIN 'E' AND (RESID 88 THROUGH 141 )
24	X-RAY DIFFRACTION	24	CHAIN 'E' AND (RESID 142 THROUGH 206 )
25	X-RAY DIFFRACTION	25	CHAIN 'E' AND (RESID 207 THROUGH 234 )
26	X-RAY DIFFRACTION	26	CHAIN 'F' AND (RESID 9 THROUGH 36 )
27	X-RAY DIFFRACTION	27	CHAIN 'F' AND (RESID 37 THROUGH 55 )
28	X-RAY DIFFRACTION	28	CHAIN 'F' AND (RESID 56 THROUGH 79 )
29	X-RAY DIFFRACTION	29	CHAIN 'F' AND (RESID 80 THROUGH 101 )
30	X-RAY DIFFRACTION	30	CHAIN 'F' AND (RESID 102 THROUGH 113 )
31	X-RAY DIFFRACTION	31	CHAIN 'F' AND (RESID 114 THROUGH 141 )
32	X-RAY DIFFRACTION	32	CHAIN 'F' AND (RESID 142 THROUGH 167 )
33	X-RAY DIFFRACTION	33	CHAIN 'F' AND (RESID 168 THROUGH 203 )
34	X-RAY DIFFRACTION	34	CHAIN 'F' AND (RESID 204 THROUGH 222 )
35	X-RAY DIFFRACTION	35	CHAIN 'F' AND (RESID 223 THROUGH 234 )

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