PDB-4y5t: Structure of FtmOx1 apo with metal Iron

ID or keywords:

Entry

Database: PDB / ID: 4y5t

Title

Structure of FtmOx1 apo with metal Iron

Components

Verruculogen synthase

Keywords

OXIDOREDUCTASE / apo / FtmOx1 / iron

Function / homology

Function and homology information

verruculogen synthase / verruculogen biosynthetic process / dioxygenase activity
Similarity search - Function

Biological species

Neosartorya fumigata (mold)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.949 Å

Authors

Yan, W. / Zhang, Y.

Funding support

United States, 1items

Citation

Journal: Nature / Year: 2015
Title: Endoperoxide formation by an alpha-ketoglutarate-dependent mononuclear non-haem iron enzyme.
Authors: Yan, W. / Song, H. / Song, F. / Guo, Y. / Wu, C.H. / Sae Her, A. / Pu, Y. / Wang, S. / Naowarojna, N. / Weitz, A. / Hendrich, M.P. / Costello, C.E. / Zhang, L. / Liu, P. / Jessie Zhang, Y.

History

Deposition	Feb 12, 2015	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Nov 4, 2015	Provider: repository / Type: Initial release
Revision 1.1	Nov 18, 2015	Group: Database references
Revision 1.2	Dec 9, 2015	Group: Database references
Revision 1.3	Sep 27, 2017	Group: Author supporting evidence / Database references / Derived calculations Category: citation / pdbx_audit_support / pdbx_struct_oper_list Item: _citation.journal_id_CSD / _pdbx_audit_support.funding_organization / _pdbx_struct_oper_list.symmetry_operation
Revision 1.4	Dec 25, 2019	Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.5	Feb 28, 2024	Group: Data collection / Database references / Derived calculations Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / struct_conn Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _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.ptnr1_symmetry / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr2_symmetry / _pdbx_struct_conn_angle.ptnr3_auth_asym_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.ptnr3_symmetry / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _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.ptnr1_symmetry / _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_symmetry

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4y5t.cif.gz	251.5 KB	Display	PDBx/mmCIF format
PDB format	pdb4y5t.ent.gz	203 KB	Display	PDB format
PDBx/mmJSON format	4y5t.json.gz		Tree view	PDBx/mmJSON format
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Validation report

Summary document	4y5t_validation.pdf.gz	461.8 KB	Display	wwPDB validaton report
Full document	4y5t_full_validation.pdf.gz	463.6 KB	Display
Data in XML	4y5t_validation.xml.gz	25.9 KB	Display
Data in CIF	4y5t_validation.cif.gz	36.8 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/y5/4y5t ftp://data.pdbj.org/pub/pdb/validation_reports/y5/4y5t	HTTPS FTP

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Related structure data

Related structure data	4y5sC C: citing same article (ref.)
Similar structure data	6oxh-d 4y5s-d 4zon-d 6oxj-d 3ioi-1 1lzj-2 6bjm-2 3sxb-2 6wn6-2 4fqw-1 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
Related items in Molecule of the Month	#111 - Mar 2009 Hydrogenase similarity (1) #240 - Dec 2019 Hypoxia-Inducible Factors similarity (1) #244 - Apr 2020 Photosynthetic Supercomplexes similarity (1) #104 - Aug 2008 Selenocysteine Synthase similarity (1) #147 - Mar 2012 Rhodopsin similarity (1) #61 - Jan 2005 Phenylalanine Hydroxylase similarity (1)

Deposited unit

A: Verruculogen synthase

B: Verruculogen synthase

hetero molecules

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

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	60.445, 45.561, 105.409
Angle α, β, γ (deg.)	90.00, 99.74, 90.00
Int Tables number	4
Space group name H-M	P12₁1

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Protein , 1 types, 2 molecules AB

#1: Protein	Verruculogen synthase / Fumitremorgin biosynthesis protein F Mass: 35381.281 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Neosartorya fumigata (mold) / Strain: ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100 / Gene: ftmOx1, ftmF, AFUA_8G00230 Production host: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria) References: UniProt: Q4WAW9, verruculogen synthase

#1: Protein

Verruculogen synthase / Fumitremorgin biosynthesis protein F

Mass: 35381.281 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Neosartorya fumigata (mold) / Strain: ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100 / Gene: ftmOx1, ftmF, AFUA_8G00230
Production host:

Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria)
References: UniProt: Q4WAW9, verruculogen synthase

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Non-polymers , 5 types, 352 molecules

#2: Chemical	ChemComp-FE2 / FE (II) ION Mass: 55.845 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Fe
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO₄
#4: Chemical	ChemComp-CO / COBALT (II) ION Mass: 58.933 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Co
#5: Chemical	ChemComp-MES / 2-(N-MORPHOLINO)-ETHANESULFONIC ACID Mass: 195.237 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₆H₁₃NO₄S / Comment: pH buffer*YM
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 346 / 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: 2.02 Å³/Da / Density % sol: 39.1 %
Crystal grow	Temperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 100 mM MES pH6.5, 50 mM CoCl2, and 2 M of ammonium sulfate PH range: 6.0-7.0

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 0.97931 Å
Detector	Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Aug 7, 2013
Radiation	Monochromator: Si (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97931 Å / Relative weight: 1
Reflection	Resolution: 1.949→42.914 Å / Num. obs: 41734 / % possible obs: 99.9 % / Redundancy: 6.6 % / R_sym value: 0.101 / Net I/σ(I): 18.328
Reflection shell	Resolution: 1.949→2.019 Å / Redundancy: 5.7 % / R_merge(I) obs: 0.725 / Mean I/σ(I) obs: 2.017 / % possible all: 99.22

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Processing

Software

Name	Version	Classification
PHENIX	(phenix.refine: 1.8.4_1496)	refinement
HKL-2000		data reduction
HKL-2000		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.949→42.91 Å / SU ML: 0.21 / Cross valid method: FREE R-VALUE / σ(F): 1.37 / Phase error: 20.87 / Stereochemistry target values: ML

	R_factor	Num. reflection	% reflection
R_free	0.2043	2102	5.04 %
R_work	0.1643	-	-
obs	0.1663	41711	99.89 %

Solvent computation

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

Refinement step

Cycle: LAST / Resolution: 1.949→42.91 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4535	0	25	346	4906

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.005	4667
X-RAY DIFFRACTION	f_angle_d	0.986	6359
X-RAY DIFFRACTION	f_dihedral_angle_d	12.61	1768
X-RAY DIFFRACTION	f_chiral_restr	0.039	711
X-RAY DIFFRACTION	f_plane_restr	0.005	837

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 (%)
1.9491-1.9944	0.2914	134	0.2406	2600	X-RAY DIFFRACTION	99
1.9944-2.0443	0.2749	149	0.2177	2591	X-RAY DIFFRACTION	100
2.0443-2.0996	0.2472	131	0.1952	2642	X-RAY DIFFRACTION	100
2.0996-2.1614	0.2338	137	0.1793	2653	X-RAY DIFFRACTION	100
2.1614-2.2311	0.2218	134	0.1729	2579	X-RAY DIFFRACTION	100
2.2311-2.3109	0.2571	128	0.17	2630	X-RAY DIFFRACTION	100
2.3109-2.4034	0.2092	155	0.1666	2624	X-RAY DIFFRACTION	100
2.4034-2.5128	0.2174	116	0.1684	2665	X-RAY DIFFRACTION	100
2.5128-2.6452	0.1793	128	0.1756	2632	X-RAY DIFFRACTION	100
2.6452-2.8109	0.241	158	0.1728	2624	X-RAY DIFFRACTION	100
2.8109-3.0279	0.2337	150	0.1717	2662	X-RAY DIFFRACTION	100
3.0279-3.3325	0.1968	145	0.1594	2615	X-RAY DIFFRACTION	100
3.3325-3.8145	0.1807	135	0.1501	2673	X-RAY DIFFRACTION	100
3.8145-4.8048	0.163	130	0.1276	2683	X-RAY DIFFRACTION	100
4.8048-42.9243	0.1769	172	0.165	2736	X-RAY DIFFRACTION	100

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	2.8584	-1.0364	0.2888	3.3168	1.0133	3.2098	-0.131	-0.1172	-0.1883	0.1517	0.1799	-0.3609	0.0151	0.1695	-0.0376	0.1051	0.0072	-0.0366	0.3983	0.0295	0.3551	92.0016	-9.4306	127.2642
2	2.9162	1.2362	-2.3753	3.3226	-2.7267	4.4308	-0.2428	-1.4198	0.1804	0.5348	0.1357	0.0039	-0.3029	0.6183	0.1842	0.1782	0.029	-0.0821	0.5052	0.035	0.3586	87.6526	-7.2485	134.1363
3	2.9269	0.1036	1.6855	1.1474	0.2749	3.2805	-0.1504	0.5692	0.0107	-0.3111	-0.0392	-0.1423	0.0125	0.5029	0.1974	0.2473	-0.0012	0.0382	0.2252	0.0118	0.1777	77.3332	-8.2321	109.3937
4	1.7939	-0.7088	-0.4983	2.4592	-1.9136	2.4024	0.3288	0.6027	0.019	-0.0861	0.2994	0.3696	-0.4142	-0.4076	-0.4913	0.3544	0.048	0.0169	0.2768	0.0579	0.3942	58.4632	4.4355	113.8822
5	2.1639	-0.066	-0.2421	0.9242	0.3007	2.2023	0.1339	0.2211	-0.0117	-0.2092	-0.0849	-0.08	0.0447	0.1538	0.002	0.1485	0.0167	0.0362	0.125	-0.0118	0.1945	72.8011	-11.4712	116.7202
6	2.4108	0.941	-0.1108	1.2933	0.3259	1.9634	-0.1092	0.1095	0.1393	-0.0983	0.03	-0.291	0.038	0.004	0.0197	0.0964	0.0437	0.0058	0.1136	-0.0017	0.1717	72.8129	-6.7323	122.8449
7	1.9805	1.495	-0.3657	1.5246	-0.338	0.7124	-0.069	-0.0044	0.0261	0.0404	0.004	-0.0132	-0.0711	0.137	0.0553	0.1821	0.021	-0.0159	0.1673	-0.0196	0.1629	72.2694	1.5004	132.6477
8	1.348	0.3004	-1.7809	1.2393	-1.6492	6.5203	0.0194	0.0082	0.0589	0.0662	0.0477	-0.1002	-0.1921	0.4138	-0.0606	0.1098	-0.0137	-0.0135	0.1611	0.0371	0.2096	77.542	-7.4424	126.5031
9	2.4657	0.4065	0.0308	2.5632	0.2835	5.5432	-0.0024	0.0542	0.225	0.0207	-0.0221	-0.2295	-0.844	0.8978	0.0743	0.1748	-0.0647	-0.0484	0.2356	0.0279	0.2656	85.2258	3.1126	125.351
10	2.8021	2.1538	-3.0265	3.5959	-4.3545	5.4071	0.3039	-0.6559	1.4522	0.7574	0.0815	0.19	-1.3752	0.4864	-0.3237	0.5034	-0.1086	-0.0052	0.3233	-0.0741	0.4195	83.6425	11.0864	132.2269
11	1.3424	0.3803	-0.3258	2.0515	0.2792	1.9126	-0.0065	0.1946	-0.1148	-0.0581	-0.0313	-0.1652	-0.1439	0.0843	0.0139	0.1203	-0.0023	-0.0175	0.2384	0.0463	0.2283	83.3428	-1.8028	123.8386
12	7.7444	2.119	-3.0579	8.2316	-2.1943	3.4048	-0.347	0.2205	0.0304	0.678	-0.0206	-0.4209	-0.6341	0.9558	0.3738	0.2987	-0.0836	-0.0803	0.3485	0.1612	0.2873	82.4458	9.6852	108.393
13	0.6317	0.2151	-0.3634	0.1674	-0.4162	1.1089	-0.0802	0.067	-0.0628	-0.0873	-0.0578	-0.0946	-0.0188	0.1012	0.171	0.1576	-0.0061	0.0065	0.1314	0.0248	0.1713	69.18	-8.1218	122.9293
14	5.5559	-0.5552	-2.5123	5.9546	1.5873	5.9303	-0.0441	0.4195	-0.3892	-0.279	0.0906	0.28	0.8395	-0.1736	-0.0796	0.2677	0.0258	-0.0641	0.1547	-0.0141	0.2123	57.81	-19.6615	114.4165
15	1.8913	0.5179	-0.1489	1.8808	0.125	2.6201	-0.0195	0.0029	-0.3925	0.0271	0.0189	-0.1461	0.3144	-0.0044	0	0.2403	0.028	-0.0182	0.0963	0.0222	0.2569	63.3342	-25.31	125.3773
16	2.3956	-0.1024	1.6367	1.9356	-1.56	3.7609	-0.3816	-0.3152	0.1455	0.4792	0.0129	0.0814	-0.4483	-0.3684	0.0654	0.4402	0.164	0.1047	0.461	0.0514	0.3004	42.6188	-3.2728	155.7371
17	7.1164	1.4612	1.6745	5.4746	0.0659	3.5323	0.2299	-0.3077	0.8145	0.6002	-0.0748	0.563	-0.5712	-0.353	-0.1337	0.4045	0.1023	0.1251	0.3251	0.0525	0.2823	47.1315	-2.4357	153.2483
18	0.7631	-0.7752	-0.6695	5.5485	1.8454	2.7506	0.065	-0.2408	-0.5984	0.0326	-0.0946	0.7398	0.222	-0.9693	0.1311	0.2223	-0.1448	0.0054	0.5399	0.1052	0.4672	35.161	-21.915	141.5311
19	0.0282	-0.0343	0.0194	0.0351	-0.0228	0.0128	0.3843	-0.8216	-0.4501	0.4156	-0.4344	0.0418	0.3137	-0.0816	0.1072	0.5514	-0.1973	-0.0641	0.4589	0.1143	0.9843	47.7063	-37.9466	134.9189
20	2.3692	-0.5302	0.0411	1.2652	-0.4445	2.4002	-0.3047	-0.5857	-0.9131	0.7463	0.4258	0.3195	0.6493	0.1686	-0.0958	0.4756	0.0672	0.0304	0.3332	0.1348	0.4226	53.3953	-30.3607	140.7695
21	0.9497	-0.1259	0.5087	1.3453	0.4472	1.8018	0.0592	-0.0632	-0.2054	-0.0463	0.0145	0.3217	-0.1769	-0.4357	-0.0562	0.1488	0.0459	0.0246	0.2859	0.0467	0.2583	43.1268	-9.9747	137.7415
22	1.8175	0.3365	0.0177	0.8993	0.3875	2.7356	-0.095	-0.0973	-0.3018	0.1635	0.2159	0.069	0.2938	-0.3366	-0.0937	0.139	0.0392	0.0259	0.1739	0.0491	0.2051	51.1171	-16.6038	143.1983
23	1.3382	-0.8822	1.0161	2.2306	1.6117	3.8862	-0.0066	-0.2372	-0.2664	0.1926	0.1704	0.2678	0.1963	-0.1626	-0.2213	0.2679	-0.0493	0.0364	0.2751	0.032	0.1937	59.5875	-17.8572	151.6068
24	1.2901	0.1912	0.3141	1.1314	-0.02	1.7381	0.0956	-0.4136	-0.077	0.216	0.0073	0.1881	0.0857	-0.143	-0.0574	0.2269	0.0163	0.022	0.2307	0.0514	0.1792	53.8757	-13.0495	148.8518
25	7.3778	2.6374	1.0854	2.4584	0.6846	3.0905	0.0358	-0.1934	-0.2206	-0.0351	0.0627	-0.1854	-0.2383	-0.0329	-0.0725	0.3077	-0.002	0.0261	0.2102	0.0164	0.1736	58.4466	-9.3238	157.8974
26	0.9288	-0.5493	0.1094	0.5765	-0.2767	2.1703	0.0133	-0.0919	-0.0001	0.2749	0.1083	0.2056	-0.1266	-0.3383	-0.1193	0.2779	0.0007	0.0409	0.2899	0.0707	0.177	51.8769	-13.7861	156.4783
27	1.1811	-1.0073	-0.8253	2.508	-2.1491	6.1311	0.1745	-0.3003	0.3227	0.5646	-0.1427	-0.3416	-0.0375	-0.1731	0.0328	0.8268	-0.2123	-0.0344	0.5503	0.238	0.632	44.4398	-30.1476	159.9479
28	0.3454	-0.4978	-0.6912	2.2677	-1.3087	5.086	0.0729	-0.1951	-0.8762	0.7105	-0.2444	0.0962	-0.152	-0.5155	0.0642	0.3406	-0.0377	0.0702	0.3641	0.1284	0.384	45.0522	-22.6839	147.4104
29	2.042	-0.0027	0.2629	1.9927	0.1677	2.1775	-0.0335	0.118	-0.0272	-0.0668	0.0322	0.2175	-0.0253	-0.2026	-0.0004	0.1298	0.0106	0.0031	0.1438	0.0296	0.1585	51.6581	-9.9718	128.1354
30	5.5483	0.9757	-0.9194	1.0673	-0.6331	2.222	0.0915	0.4907	0.6334	-0.1092	0.2431	0.2205	-0.2438	-0.5546	-0.2631	0.1742	0.0165	-0.0274	0.2775	0.0644	0.2125	48.5024	-6.3745	117.8584

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	(chain A and resid 8:27)
2	X-RAY DIFFRACTION	2	(chain A and resid 28:32)
3	X-RAY DIFFRACTION	3	(chain A and resid 33:61)
4	X-RAY DIFFRACTION	4	(chain A and resid 62:73)
5	X-RAY DIFFRACTION	5	(chain A and resid 74:106)
6	X-RAY DIFFRACTION	6	(chain A and resid 107:127)
7	X-RAY DIFFRACTION	7	(chain A and resid 128:147)
8	X-RAY DIFFRACTION	8	(chain A and resid 148:161)
9	X-RAY DIFFRACTION	9	(chain A and resid 162:180)
10	X-RAY DIFFRACTION	10	(chain A and resid 181:189)
11	X-RAY DIFFRACTION	11	(chain A and resid 190:213)
12	X-RAY DIFFRACTION	12	(chain A and resid 214:221)
13	X-RAY DIFFRACTION	13	(chain A and resid 222:240)
14	X-RAY DIFFRACTION	14	(chain A and resid 241:246)
15	X-RAY DIFFRACTION	15	(chain A and resid 247:296)
16	X-RAY DIFFRACTION	16	(chain B and resid 10:23)
17	X-RAY DIFFRACTION	17	(chain B and resid 24:38)
18	X-RAY DIFFRACTION	18	(chain B and resid 39:57)
19	X-RAY DIFFRACTION	19	(chain B and resid 58:64)
20	X-RAY DIFFRACTION	20	(chain B and resid 65:83)
21	X-RAY DIFFRACTION	21	(chain B and resid 84:107)
22	X-RAY DIFFRACTION	22	(chain B and resid 108:128)
23	X-RAY DIFFRACTION	23	(chain B and resid 129:138)
24	X-RAY DIFFRACTION	24	(chain B and resid 139:169)
25	X-RAY DIFFRACTION	25	(chain B and resid 170:181)
26	X-RAY DIFFRACTION	26	(chain B and resid 182:212)
27	X-RAY DIFFRACTION	27	(chain B and resid 213:219)
28	X-RAY DIFFRACTION	28	(chain B and resid 220:228)
29	X-RAY DIFFRACTION	29	(chain B and resid 229:276)
30	X-RAY DIFFRACTION	30	(chain B and resid 277:294)

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