PDB-7mgq: AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for d...

ID or keywords:

Entry

Database: PDB / ID: 7mgq

Title

AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for de novo purine biosynthesis and infection by Cryptococcus neoformans

Components

5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase

Keywords

STRUCTURAL PROTEIN / Isomerase / ligand / complex

Function / homology

Function and homology information

phosphoribosylaminoimidazolecarboxamide formyltransferase activity / IMP cyclohydrolase activity / 'de novo' IMP biosynthetic process / metal ion binding / cytosol
Similarity search - Function

Biological species

Cryptococcus neoformans (Cryptococcus neoformans serotype A)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.67 Å

Authors

Wizrah, M.S. / Chua, S.M.H. / Luo, Z. / Manik, M.K. / Pan, M. / Whyte, J.M. / Robertson, A.B. / Kappler, U. / Kobe, B. / Fraser, J.A.

Funding support

Australia, 1items

Citation

Journal: J.Biol.Chem. / Year: 2022
Title: AICAR transformylase/IMP cyclohydrolase (ATIC) is essential for de novo purine biosynthesis and infection by Cryptococcus neoformans.
Authors: Wizrah, M.S.I. / Chua, S.M.H. / Luo, Z. / Manik, M.K. / Pan, M. / Whyte, J.M.L. / Robertson, A.A.B. / Kappler, U. / Kobe, B. / Fraser, J.A.

History

Deposition	Apr 13, 2021	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Apr 20, 2022	Provider: repository / Type: Initial release
Revision 1.1	Nov 2, 2022	Group: Database references / Category: citation Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2	Oct 18, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	7mgq.cif.gz	1.1 MB	Display	PDBx/mmCIF format
PDB format	pdb7mgq.ent.gz	767.8 KB	Display	PDB format
PDBx/mmJSON format	7mgq.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/mg/7mgq ftp://data.pdbj.org/pub/pdb/validation_reports/mg/7mgq	HTTPS FTP

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Related structure data

Related structure data	1pkxS S: Starting model for refinement
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	#215 - Nov 2017 Aspartate Transcarbamoylase similarity (5)

Deposited unit

A: 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase

B: 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase

C: 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase

D: 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase

hetero molecules

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

1

A: 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase

B: 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase

hetero molecules

defined by author&software
Evidence: gel filtration, light scattering
131 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase

D: 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase

hetero molecules

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

Unit cell

Length a, b, c (Å)	91.841, 115.867, 111.823
Angle α, β, γ (deg.)	90.000, 96.183, 90.000
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb
Symmetry operation	#1: x,y,z #2: -x,y+1/2,-z

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1
3	1
4	1

NCS domain segments:

Ens-ID: 1

Dom-ID	Component-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	GLU	GLU	PRO	PRO	(chain 'A' and (resid 4 through 488 or resid 496 through 512 or resid 519 through 605))	A	A	4 - 488	4 - 488
1	2	ALA	ALA	GLU	GLU	(chain 'A' and (resid 4 through 488 or resid 496 through 512 or resid 519 through 605))	A	A	496 - 512	496 - 512
1	3	ALA	ALA	HIS	HIS	(chain 'A' and (resid 4 through 488 or resid 496 through 512 or resid 519 through 605))	A	A	519 - 605	519 - 605
2	1	GLU	GLU	PRO	PRO	(chain 'B' and (resid 4 through 512 or resid 519 through 605))	B	B	4 - 488	4 - 488
2	2	ALA	ALA	GLU	GLU	(chain 'B' and (resid 4 through 512 or resid 519 through 605))	B	B	496 - 512	496 - 512
2	3	ALA	ALA	HIS	HIS	(chain 'B' and (resid 4 through 512 or resid 519 through 605))	B	B	519 - 605	519 - 605
3	1	GLU	GLU	PRO	PRO	(chain 'C' and (resid 4 through 488 or resid 496 through 512 or resid 519 through 605))	C	C	4 - 488	4 - 488
3	2	ALA	ALA	GLU	GLU	(chain 'C' and (resid 4 through 488 or resid 496 through 512 or resid 519 through 605))	C	C	496 - 512	496 - 512
3	3	ALA	ALA	HIS	HIS	(chain 'C' and (resid 4 through 488 or resid 496 through 512 or resid 519 through 605))	C	C	519 - 605	519 - 605
4	1	GLU	GLU	PRO	PRO	(chain 'D' and (resid 4 through 488 or resid 496 through 512 or resid 519 through 605))	D	D	4 - 488	4 - 488
4	2	ALA	ALA	GLU	GLU	(chain 'D' and (resid 4 through 488 or resid 496 through 512 or resid 519 through 605))	D	D	496 - 512	496 - 512
4	3	ALA	ALA	HIS	HIS	(chain 'D' and (resid 4 through 488 or resid 496 through 512 or resid 519 through 605))	D	D	519 - 605	519 - 605

#1: Protein	5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase / AICAR transformylase / IMP synthase / Inosinicase / Phosphoribosylaminoimidazolecarboxamide formyltransferase Mass: 65483.727 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Cryptococcus neoformans (Cryptococcus neoformans serotype A) Gene: C356_00722 / Production host: Escherichia Coli (E. coli) / Strain (production host): BL21-Gold(DE3)pLysS AG References: UniProt: A0A225ZZG7, phosphoribosylaminoimidazolecarboxamide formyltransferase, IMP cyclohydrolase
#2: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 74 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	N

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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: 45.53 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8 / Details: 0.2 M MgCl2, 20% w/v PEG 6000 and 0.2 M Tris base / PH range: 6.5-8

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX1 / Wavelength: 0.954 Å
Detector	Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Jul 1, 2019
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.954 Å / Relative weight: 1
Reflection	Resolution: 2.67→48.92 Å / Num. obs: 65094 / % possible obs: 98.75 % / Redundancy: 2 % / B_iso Wilson estimate: 60.87 Å² / CC_1/2: 0.999 / Net I/σ(I): 71.97
Reflection shell	Resolution: 2.674→2.77 Å / Num. unique obs: 6258 / CC_1/2: 0.907

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Processing

Software

Name	Version	Classification
PHENIX	1.13_2998	refinement
XDS		data reduction
Aimless		data scaling
PHASER		phasing
PHENIX		model building

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: 1PKX

1pkx

Resolution: 2.67→48.92 Å / SU ML: 0.3693 / Cross valid method: FREE R-VALUE / σ(F): 1.38 / Phase error: 27.0365 / Stereochemistry target values: GeoStd + Monomer Library

	R_factor	Num. reflection	% reflection
R_free	0.2346	1999	3.07 %
R_work	0.199	63086	-
obs	0.2001	65085	98.69 %

Solvent computation

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

Displacement parameters

B_iso mean: 69.4 Å²

Refinement step

Cycle: LAST / Resolution: 2.67→48.92 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	18193	0	4	74	18271

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0029	18549
X-RAY DIFFRACTION	f_angle_d	0.6383	25124
X-RAY DIFFRACTION	f_chiral_restr	0.0442	2852
X-RAY DIFFRACTION	f_plane_restr	0.004	3267
X-RAY DIFFRACTION	f_dihedral_angle_d	14.153	11293

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 (%)
2.67-2.74	0.3491	133	0.3175	4201	X-RAY DIFFRACTION	92.55
2.74-2.81	0.316	143	0.2924	4507	X-RAY DIFFRACTION	98.73
2.81-2.9	0.3284	143	0.2782	4499	X-RAY DIFFRACTION	98.89
2.9-2.99	0.298	141	0.2713	4469	X-RAY DIFFRACTION	98.86
2.99-3.1	0.2806	144	0.26	4517	X-RAY DIFFRACTION	98.98
3.1-3.22	0.2898	143	0.2655	4502	X-RAY DIFFRACTION	99.06
3.22-3.37	0.2908	142	0.2419	4507	X-RAY DIFFRACTION	99.08
3.37-3.55	0.2617	143	0.2147	4512	X-RAY DIFFRACTION	99.15
3.55-3.77	0.2554	143	0.1997	4500	X-RAY DIFFRACTION	99.23
3.77-4.06	0.2123	143	0.1871	4547	X-RAY DIFFRACTION	99.3
4.06-4.47	0.1895	144	0.1667	4562	X-RAY DIFFRACTION	99.41
4.47-5.11	0.1999	145	0.1563	4547	X-RAY DIFFRACTION	99.39
5.11-6.44	0.24	145	0.1873	4578	X-RAY DIFFRACTION	99.62
6.44-48.92	0.1857	147	0.1613	4638	X-RAY DIFFRACTION	99.44

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	2.68488234776	-0.56240468836	1.63569485104	3.0995825294	-1.10934905676	1.99543054762	-0.280357250083	-0.0342474731331	1.1643201546	0.303313337471	-0.251136308707	0.00241138467709	-0.699382137666	0.221466012081	0.436140691922	0.387394689	-0.0442445021286	-0.101095961163	0.419941586038	0.0161228231651	0.837486594097	-23.2523531922	29.215570008	-56.6653927566
2	5.49196831306	0.0419546715314	1.0686754637	2.89211933498	-0.324295000797	2.01347704602	0.344257071102	-1.25142122166	-0.823959229861	0.731072333136	-0.203950209104	-0.433553193197	0.270255760916	-0.0654778667666	-0.14070109162	0.608203518361	-0.171483313396	-0.109687911859	0.618258300859	0.195424519939	0.604645865392	2.13948629769	3.99874307263	-33.1306191279
3	6.04309831793	-0.656891033226	-0.156468508691	2.69727948285	0.391737158407	2.32095517528	-0.0799307695604	0.329434093317	-0.908939265006	0.032675640004	0.0371391109575	0.0944167201145	0.555681663466	0.272497912839	0.0422124517803	0.448184078072	-0.0229837130661	-0.0119172441768	0.467152547153	0.0365798809482	0.571086516521	13.8692030333	12.6039883669	-51.284664595
4	3.09669157614	0.0159120541434	0.62786359961	2.30308710399	-0.609622087003	6.15309025019	0.254432053584	-1.1721389305	-0.419938232904	0.948817986708	-0.310089923378	-0.446482082612	-0.198107691463	0.526164060984	-0.0133963009322	0.646314613912	-0.188115470478	-0.14748442963	0.903400139714	0.207696992813	0.692169717748	25.1831564199	11.5835212128	-26.8979722054
5	3.56445156043	-0.130594834789	-0.31623019277	4.6986680697	-1.22510459215	7.86536823783	-0.0678226167053	0.566523909279	-0.0462367827434	-0.245400656258	-0.434012475567	-0.451294744342	-0.340514674666	0.697544893619	0.421568218462	0.371454279869	-0.0391762322054	-0.00152147054035	0.575030100657	0.0589794142369	0.617282857659	29.9984572421	15.7319912995	-47.0363882029
6	6.07631891625	-2.8322219952	1.17712366765	6.67330716654	0.0862187387319	4.87760815617	0.295074386136	0.532270008182	-0.449103149933	-0.423512955935	-0.0677394922192	-0.0292243345	0.48684851457	0.178597318957	-0.158121067222	0.3151388466	-0.0226829420672	-0.0794108460632	0.372590833394	-0.0312641819387	0.504501084325	-34.0610669847	5.60663775154	-66.959926401
7	4.58570060899	1.80287054436	1.21496898307	1.34977766355	0.635376714227	1.35318455767	-0.095679532219	0.545475540327	0.0949364930966	-0.153756791929	0.0121257291951	-0.230951493712	-0.123492428382	0.322897466266	0.084630233401	0.310324788482	0.0386706627689	0.0078315195465	0.407324117608	0.0828555549966	0.537664752476	-10.9097607685	19.9510857327	-58.0147886544
8	3.29839651745	1.18567921741	2.18581700368	2.80234442046	1.09270535105	2.77676247583	-0.0823425365033	-0.201991711351	1.14017749028	0.122198315686	-0.101488372398	0.332767702006	-0.412539355214	0.417598083853	0.148864832077	0.461487668034	-0.128576293297	0.136219193387	0.613764740096	-0.0792226337255	0.802159576911	11.84946404	38.0172469526	-36.9054574728
9	7.47593345389	0.0672754581512	-1.11498226835	1.23123894841	0.263914362427	1.7742481295	0.129751114967	-1.19621345308	0.196928903175	0.54480684966	-0.259345732374	0.0296958499492	-0.0114687012576	0.160106427354	0.117514961199	0.758723414113	-0.263335051312	-0.0122305019985	0.836546552369	-0.0662320653601	0.512472949623	23.5894311931	32.0543412907	-24.4364706417
10	3.91913914706	0.355935608805	1.27686038971	2.85299984793	0.325192096528	4.21391306286	-0.191123889139	-0.284914903486	0.788689555096	0.0946083486748	-0.0894726433925	0.466429621446	-0.615594074437	-0.506302695171	0.286048875297	0.362129618734	0.0780043519965	-0.0871549792721	0.392823377974	-0.0736059259056	0.644935339494	-24.3166049158	90.242750611	-32.4993355648
11	3.46910419811	-0.998097774389	1.1821317203	2.62694109244	-1.69765192362	4.32586374218	-0.0974481826428	-0.428237476896	0.23476307991	0.495532737414	-0.0542022291139	0.15967370398	-0.439967603402	-0.0927861968126	0.131216154097	0.303685651414	-0.015347568466	-0.00673414679821	0.381717580727	-0.0820667224385	0.402497402758	-11.9908657984	80.9171317726	-19.9224651989
12	6.27261897829	-2.0052671643	0.777383628702	3.38473273858	0.156931638789	1.77530772563	-0.0678024949463	-0.748510445857	-0.359510955023	0.713190514656	0.269406356492	-0.171363908378	0.337048598823	-0.205447901339	-0.227726186434	0.623105937931	-0.0153879285446	0.0208467841762	0.4598579407	0.0516574215112	0.319688227248	15.2397262955	57.5401630892	0.498319496575
13	3.6872450483	-0.750688499327	1.66903070336	2.56742341737	-0.549754990253	1.85719705624	0.246365837747	-0.00696690030103	-0.46823282301	0.134508384518	-0.0151228878322	-0.109937885027	0.771834009702	0.134227219381	-0.222329933368	0.707909404369	0.0731242724088	-0.0382767767676	0.420242636972	-0.0457392312737	0.309551665218	19.004648619	58.8709818754	-6.27715267125
14	3.18176854219	0.270012587506	0.694652414113	4.09740703551	-1.35452999834	9.56204040974	0.146999708388	-0.947738799525	-0.0997242443056	1.06025449475	-0.133915150342	-0.321033010101	-0.322686980263	0.176677488047	-0.0193362262784	0.694260390618	0.0633572742237	-0.121583424533	0.713621775133	-0.0290963229155	0.499562969875	36.8555234433	62.2102190188	11.4995294527
15	4.63689822212	-2.28726329277	-4.70392797049	6.20563634222	1.79943879669	4.9044477972	0.156756165796	0.570281995766	0.133334803729	-0.256825568137	-0.167166299348	-0.815369490671	-0.318278181369	0.507805449883	0.0698151189774	0.572185100063	0.0613981395263	-0.0295361535004	0.668193684835	-0.0222126232116	0.576404476466	39.7467375514	65.1273682901	-13.9045395713
16	4.90363092864	-1.32796253243	1.13315730406	5.56625122668	0.770745487104	4.05779303729	0.446637325167	0.189567192991	-1.01722936289	-0.325810522673	-0.256291779803	0.24999050607	0.57074628948	-0.308366222122	-0.152268950741	0.407724714823	-0.0504406664175	-0.117593688256	0.367092954947	-0.0276156490244	0.552071907325	-25.6347665696	62.5590848896	-33.0752015369
17	5.52115643058	0.944804500427	0.456799363269	2.14752919636	0.499897066222	2.04093529632	0.10381106863	-0.12629376267	-0.648187100427	-0.134934636703	-0.216289159946	-0.0463688536829	0.310738946144	0.121170727175	0.0904464265578	0.326503948557	0.0585659590401	-0.0389014682774	0.319771307537	0.0464981646567	0.368312368932	-8.06553776552	70.1514107691	-27.0500063819
18	4.91718929399	1.72534555026	2.47068206567	4.65558907853	1.12003878179	5.16030727334	-0.419210028857	0.475927100834	0.775720766007	0.207574744133	0.131563368069	-0.648536758426	-0.698636248298	0.792862026049	0.262347617105	0.477414071788	-0.0256199862509	-0.0660083640535	0.487827192541	0.104877782735	0.566531157552	23.7297668127	91.3125441544	-11.8627407298
19	3.87367377917	1.5369813098	2.50674440461	2.95635339017	0.913525150369	3.36423724107	-0.270553624422	-0.478130549545	0.522105974797	0.789233163752	-0.0235381125945	-0.236784862153	-0.213021243399	0.0924855709873	0.287164277788	0.690829717829	0.10749343601	-0.0989941417711	0.531788214225	-0.0468624941071	0.462830624537	23.2767298246	84.4457258792	5.11497969536
20	3.53237987881	0.390826170127	0.730953516113	2.02777768515	-0.182263996178	3.06274352171	-0.223226011612	-0.700220395201	0.103056295356	0.642129268819	-0.164782453233	-0.322452897559	-0.278319149367	0.29417877789	0.333755164463	0.873465893779	0.0571094849033	-0.198110166258	0.693942645082	-0.0773371140423	0.570005780819	32.0404276304	81.4423348407	12.1286822931
21	3.2445510866	0.0260301521746	1.62974772177	4.58198869591	1.04496278831	3.1228057216	-0.445861688845	0.152763877405	1.19122985924	-0.129309971147	-0.0320153622971	0.321404564208	-0.615071491316	-0.161162868762	0.457684759022	0.388999385147	-0.026693337319	-0.181010513339	0.446331220227	0.101994044995	0.941660294113	-35.9004986775	33.2356175872	-66.4350224828

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'C' and (resid 99 through 196 )
2	X-RAY DIFFRACTION	2	chain 'C' and (resid 197 through 386 )
3	X-RAY DIFFRACTION	3	chain 'C' and (resid 387 through 422 )
4	X-RAY DIFFRACTION	4	chain 'C' and (resid 423 through 557 )
5	X-RAY DIFFRACTION	5	chain 'C' and (resid 558 through 605 )
6	X-RAY DIFFRACTION	6	chain 'D' and (resid 4 through 98 )
7	X-RAY DIFFRACTION	7	chain 'D' and (resid 99 through 269 )
8	X-RAY DIFFRACTION	8	chain 'D' and (resid 270 through 480 )
9	X-RAY DIFFRACTION	9	chain 'D' and (resid 481 through 605 )
10	X-RAY DIFFRACTION	10	chain 'A' and (resid 4 through 98 )
11	X-RAY DIFFRACTION	11	chain 'A' and (resid 99 through 217 )
12	X-RAY DIFFRACTION	12	chain 'A' and (resid 218 through 337 )
13	X-RAY DIFFRACTION	13	chain 'A' and (resid 338 through 461 )
14	X-RAY DIFFRACTION	14	chain 'A' and (resid 462 through 557 )
15	X-RAY DIFFRACTION	15	chain 'A' and (resid 558 through 605 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 4 through 98 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 99 through 218 )
18	X-RAY DIFFRACTION	18	chain 'B' and (resid 219 through 386 )
19	X-RAY DIFFRACTION	19	chain 'B' and (resid 387 through 500 )
20	X-RAY DIFFRACTION	20	chain 'B' and (resid 501 through 605 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 4 through 98 )

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