PDB-8vzh: Crystal Structure of 2-Hydroxyacyl-CoA lyase/synthase TbHACS from...

ID or keywords:

Entry

Database: PDB / ID: 8vzh

Title

Crystal Structure of 2-Hydroxyacyl-CoA lyase/synthase TbHACS from Thermoflexaceae bacterium in the Complex with THDP and ADP

Components

Oxalyl-CoA decarboxylase

Keywords

LYASE / 2-hydroxyacyl-CoA lyase/synthase / Oxalyly-CoA decarboxylase / acyloin condensation / SBC / eBERlight

Function / homology

ADENOSINE-5'-DIPHOSPHATE / PHOSPHATE ION / THIAMINE DIPHOSPHATE

Function and homology information

Biological species

Thermoflexaceae bacterium (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.25 Å

Authors

Kim, Y. / Maltseva, M. / Endres, M. / Lee, S. / Yoshikuni, Y. / Gonzalez, R. / Michalska, K. / Joachimiak, A.

Funding support

United States, 1items

Citation

Journal: Commun Chem / Year: 2024
Title: Revealing reaction intermediates in one-carbon elongation by thiamine diphosphate/CoA-dependent enzyme family.
Authors: Kim, Y. / Lee, S.H. / Gade, P. / Nattermann, M. / Maltseva, N. / Endres, M. / Chen, J. / Wichmann, P. / Hu, Y. / Marchal, D.G. / Yoshikuni, Y. / Erb, T.J. / Gonzalez, R. / Michalska, K. / Joachimiak, A.

History

Deposition	Feb 11, 2024	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Oct 2, 2024	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8vzh.cif.gz	988.1 KB	Display	PDBx/mmCIF format
PDB format	pdb8vzh.ent.gz	678.4 KB	Display	PDB format
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Validation report

Summary document	8vzh_validation.pdf.gz	2.5 MB	Display	wwPDB validaton report
Full document	8vzh_full_validation.pdf.gz	2.5 MB	Display
Data in XML	8vzh_validation.xml.gz	91.2 KB	Display
Data in CIF	8vzh_validation.cif.gz	121.4 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/vz/8vzh ftp://data.pdbj.org/pub/pdb/validation_reports/vz/8vzh	HTTPS FTP

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Related structure data

Related structure data	8vzaC 8vzbC 8vzcC 8vzdC 8vzeC 8vzfC 8vziC 8vzjC 8vzkC C: citing same article (ref.)
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#263 - Nov 2021 Acetohydroxyacid Synthase similarity (1) #153 - Sep 2012 Pyruvate Dehydrogenase Complex similarity (1)

Deposited unit

A: Oxalyl-CoA decarboxylase

B: Oxalyl-CoA decarboxylase

C: Oxalyl-CoA decarboxylase

D: Oxalyl-CoA decarboxylase

hetero molecules

241 kDa, 4 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)	120.591, 134.013, 173.399
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁
Space group name Hall	P2ac2ab
Symmetry operation	#1: x,y,z #2: x+1/2,-y+1/2,-z #3: -x,y+1/2,-z+1/2 #4: -x+1/2,-y,z+1/2

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Protein , 1 types, 4 molecules ABCD

#1: Protein	Oxalyl-CoA decarboxylase Mass: 59059.953 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Thermoflexaceae bacterium (bacteria) / Plasmid: p53 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Gold

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Non-polymers , 8 types, 854 molecules

#2: Chemical	ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE Mass: 427.201 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₁₀H₁₅N₅O₁₀P₂ / Feature type: SUBJECT OF INVESTIGATION / Comment: ADP, energy-carrying molecule*YM
#3: Chemical	ChemComp-TPP / THIAMINE DIPHOSPHATE Mass: 425.314 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₁₂H₁₉N₄O₇P₂S / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: C₂H₆O₂
#5: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₃H₈O₃
#6: Chemical	ChemComp-PO4 / PHOSPHATE ION Mass: 94.971 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: PO₄
#7: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#8: Chemical	ChemComp-CL / CHLORIDE ION Mass: 35.453 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Cl
#9: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 820 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	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: 2.97 Å³/Da / Density % sol: 58.52 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 0.2 M sodium/potassium phosphate, 0.1 M Bis Tris propane pH 6.5 20 % (w/v) PEG3350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.97918 Å
Detector	Type: DECTRIS PILATUS3 X 6M / Detector: PIXEL / Date: Dec 13, 2022
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97918 Å / Relative weight: 1
Reflection	Resolution: 2.25→50 Å / Num. obs: 133571 / % possible obs: 99.9 % / Redundancy: 5.2 % / B_iso Wilson estimate: 27.57 Å² / CC_1/2: 0.983 / R_merge(I) obs: 0.159 / R_pim(I) all: 0.077 / R_rim(I) all: 0.177 / Net I/σ(I): 10.3
Reflection shell	Resolution: 2.25→2.29 Å / Redundancy: 5 % / R_merge(I) obs: 1.196 / Mean I/σ(I) obs: 1.6 / Num. unique obs: 6589 / CC_1/2: 0.659 / R_pim(I) all: 0.593 / R_rim(I) all: 1.338 / % possible all: 100

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Processing

Software

Name	Version	Classification
PHENIX	1.20.1_4487	refinement
HKL-3000		data reduction
HKL-3000		data scaling
HKL-3000		phasing
MOLREP		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.25→43.39 Å / SU ML: 0.222 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 18.2194
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.1949	6701	5.04 %
R_work	0.1596	126194	-
obs	0.1614	132895	99.22 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Displacement parameters

B_iso mean: 32.47 Å²

Refinement step

Cycle: LAST / Resolution: 2.25→43.39 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	16212	0	297	820	17329

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0038	16979
X-RAY DIFFRACTION	f_angle_d	0.6903	23151
X-RAY DIFFRACTION	f_chiral_restr	0.0483	2505
X-RAY DIFFRACTION	f_plane_restr	0.0053	3049
X-RAY DIFFRACTION	f_dihedral_angle_d	14.4917	6194

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 (%)
2.25-2.27	0.2566	207	0.227	3715	X-RAY DIFFRACTION	88.47
2.27-2.3	0.2606	223	0.2113	4086	X-RAY DIFFRACTION	98.38
2.3-2.33	0.2492	192	0.2151	4070	X-RAY DIFFRACTION	96.47
2.33-2.36	0.2732	218	0.2179	4115	X-RAY DIFFRACTION	97.52
2.36-2.39	0.2882	192	0.2089	4182	X-RAY DIFFRACTION	99.18
2.39-2.42	0.2327	230	0.1972	4178	X-RAY DIFFRACTION	99.98
2.42-2.46	0.2354	222	0.1968	4211	X-RAY DIFFRACTION	99.82
2.46-2.49	0.259	223	0.1975	4190	X-RAY DIFFRACTION	99.91
2.49-2.53	0.2535	240	0.188	4193	X-RAY DIFFRACTION	100
2.53-2.57	0.2287	221	0.1858	4204	X-RAY DIFFRACTION	100
2.57-2.62	0.2306	209	0.1939	4195	X-RAY DIFFRACTION	99.91
2.62-2.66	0.2588	245	0.1981	4190	X-RAY DIFFRACTION	99.91
2.66-2.72	0.2498	206	0.1935	4220	X-RAY DIFFRACTION	99.95
2.72-2.77	0.238	209	0.1784	4233	X-RAY DIFFRACTION	100
2.77-2.83	0.2175	236	0.176	4186	X-RAY DIFFRACTION	99.8
2.83-2.9	0.2117	248	0.1817	4212	X-RAY DIFFRACTION	99.87
2.9-2.97	0.2174	205	0.1765	4239	X-RAY DIFFRACTION	100
2.97-3.05	0.2235	233	0.1818	4213	X-RAY DIFFRACTION	99.87
3.05-3.14	0.2216	211	0.183	4209	X-RAY DIFFRACTION	99.82
3.14-3.24	0.2171	223	0.179	4232	X-RAY DIFFRACTION	99.87
3.24-3.36	0.2087	222	0.1785	4251	X-RAY DIFFRACTION	99.93
3.36-3.49	0.2087	237	0.1583	4206	X-RAY DIFFRACTION	99.89
3.49-3.65	0.1844	222	0.1448	4245	X-RAY DIFFRACTION	99.8
3.65-3.84	0.1579	232	0.1409	4276	X-RAY DIFFRACTION	99.87
3.84-4.08	0.1642	194	0.1273	4274	X-RAY DIFFRACTION	99.98
4.08-4.4	0.14	240	0.1137	4274	X-RAY DIFFRACTION	100
4.4-4.84	0.1334	229	0.1112	4269	X-RAY DIFFRACTION	99.65
4.84-5.54	0.1356	229	0.1209	4300	X-RAY DIFFRACTION	99.69
5.54-6.97	0.1771	236	0.1399	4355	X-RAY DIFFRACTION	99.93
6.98-43.39	0.1478	267	0.1298	4471	X-RAY DIFFRACTION	99.2

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	0.723637050472	0.16139202235	-0.275416077626	0.229851107717	0.0369919385575	1.19770536574	0.0293282901901	-0.0262672059797	0.0824454607527	0.0242444498366	0.00614362559977	0.0129443914284	-0.0777467004696	-0.0120410764211	-0.0290853374453	0.204894663135	-0.00362459652443	-0.00691522457737	0.139438640555	0.0162312501552	0.206406698368	-13.9768301706	15.9948309839	-12.0797494222
2	0.254193187074	0.137438160409	-0.161402298506	1.20811666667	1.22100216807	2.19889810392	0.0113108692776	0.0134399708065	0.0925714117935	-0.17505960336	0.076577123665	-0.0602711965337	-0.267330183518	0.0972891348913	-0.0909243408394	0.22173532849	-0.00550744867015	0.0142377089258	0.182059655135	0.0142877916572	0.24128295569	-8.55003019163	12.2985344905	-35.8436498996
3	0.358446858525	-0.0233132300518	-0.0517267542248	0.332705315915	0.212006573071	0.982847479146	0.00410360700155	0.0657651258127	-0.0190975383882	-0.0386182446031	0.0192849917684	-0.000596141256782	0.111188892093	-0.122981931192	-0.0160771860181	0.243994449797	-0.0244193893299	-0.0112113993118	0.17558167183	-0.000772132812712	0.210955530693	-22.0067458323	-2.63880383959	-36.1374634154
4	1.63177366789	-0.254774400343	0.389842227176	1.12116994585	0.0583333883016	1.28455566344	0.0237423424145	-0.00289934008066	-0.226927462884	-0.0802605014257	0.0318966887198	0.027638243968	0.270554024092	-0.419570292815	-0.0535551615982	0.252756306411	-0.120615008955	-0.000252614189886	0.301368754269	0.019041248093	0.216903312317	-40.7221983617	-8.34180834575	-17.4449680742
5	1.93550142872	-0.597584704787	0.179431294887	1.4638557884	0.398286787938	2.20731900687	-0.0474517950422	-0.228949836857	-0.423171723853	0.311316365814	0.0354415834363	0.0221089091495	0.402069740436	0.0476467564321	0.0169536967854	0.391330226041	-0.0351696680157	0.0227901044849	0.173388618827	0.0755639384281	0.314451532689	-14.1625021333	-22.3757060794	-4.53306977242
6	0.81967404487	-0.0698723303385	0.0141612767151	0.407713555406	-0.0148134356919	1.83753787339	0.0528097074276	-0.12292916418	-0.157470635005	-0.00126961683158	-0.0742115046143	-0.0649771726466	0.299440443472	-0.0912585922123	0.0380596190789	0.317035742881	-0.0456129742246	-0.00424871965199	0.188602946369	0.0351546344813	0.25080260588	-19.7256550272	-13.3573661881	-1.96017646393
7	0.450741174018	0.0904112586957	-0.0245302165014	0.126399264835	0.113708858599	1.17772580673	0.031849145692	-0.0629135620221	-0.134806425195	-0.0203681712217	-0.0252410755465	-0.123773883649	0.14926461778	0.154302692832	0.00217357202109	0.285219689196	0.0010834302825	-0.0103152998667	0.175031142381	0.0383134975023	0.249401524626	-7.08690610287	-10.2644312535	-5.81980461329
8	0.524150463991	-0.00360393989763	0.0201990185511	0.821455890638	0.516868328932	1.6704317487	0.036472795524	-0.202148728422	-0.13196827145	0.172906518424	-0.0270617794179	-0.082854939688	0.345248835794	0.170963312534	-0.0277534690052	0.306388238562	-0.0327827557938	-0.019896491343	0.291985561938	0.0833550239218	0.243012238376	-6.63088375084	-8.76524592179	19.1351475229
9	1.00037224717	-0.0876140495583	-0.383595791511	0.222472557373	-0.0648709445659	1.51935499424	0.072630225737	-0.140156067834	-0.0174259926455	0.111467727727	-0.0485356143805	-0.00829827999178	0.00324662864271	0.0478359905945	-0.0133704422178	0.312599371106	-0.0490855478844	-0.0161062759345	0.321133999492	0.0213574470454	0.22412030327	-12.2923890359	5.15122414747	26.68235636
10	0.373010486546	0.0707546141813	-0.204094903689	0.152545796854	0.0800263256996	0.696488789223	0.00971673731135	-0.0397453518161	-0.0348754506913	0.0661550587282	-0.0165256559133	0.0608128784029	0.13843782121	-0.133576474634	-0.00945937083127	0.23735464192	-0.0459999394255	-0.00532226536815	0.232803480554	0.0328599679362	0.184358325237	-31.2528405031	3.32564715953	13.5791968137
11	1.72395491031	0.233853729531	-0.079311835974	1.86549119872	0.133397528676	1.32262732383	0.00418697074587	-0.0353172126108	0.0176015344822	0.124762973059	0.00639629076815	0.151001007863	-0.0232920200604	-0.392320614967	-0.0228005719604	0.186548670187	-0.0207657236761	-8.35520764141E-5	0.278921672766	0.0124231785728	0.162719135125	-40.9519230482	5.12046428688	1.46849652572
12	0.480579596764	0.0688657120543	0.160327097807	1.21149342224	-0.459921778106	0.981029597764	-0.00861659840508	0.00796920119331	-0.202139032537	0.026926248429	0.0107180438948	-0.0786593635842	0.179075493913	0.227067440049	-0.000236908213574	0.237322400554	0.0689173536393	0.011073678575	0.242541695633	0.00612249359555	0.268854190783	14.4329682853	-5.88094353211	-20.3653634996
13	0.579420400947	-0.271949599805	0.168989301892	2.51361263889	-0.7288252555	1.03224079089	0.0486370378126	0.0770843487037	-0.0436457170389	-0.261942664535	-0.0135359585477	0.0255186849937	0.092156806803	0.106873337733	-0.0618862676651	0.197631657833	-0.00197168869238	0.0280888548224	0.210225010501	-0.00723441350594	0.209036236852	8.0191095342	10.455433492	-36.7540375681
14	0.958576632601	0.227237952759	0.149858279117	0.924160673967	-0.242405130264	1.24380893692	0.0368788858307	-0.00948955483909	0.0168311326211	0.0321088937345	-0.0327301555366	-0.0179944553173	-0.175698674054	0.14382486243	0.00223532180721	0.278637752876	-0.0531650163398	0.0101572554934	0.206134777639	0.0055964148567	0.261724444594	11.4668043738	27.2991324373	-31.179855355
15	1.33129870044	0.501535828467	-0.124575666352	2.10471639561	-0.381396519572	0.725826838899	-0.0916057606904	0.0128048042222	0.124033484826	-0.153016299489	0.0390828649238	-0.133929026923	-0.374116715748	0.380642321723	0.0571424047502	0.331271879233	-0.0943535940421	0.0558619137863	0.318576438234	0.0280354379456	0.242834270263	17.9829349518	33.7616196921	-38.0612614405
16	1.15724123669	0.220643682912	0.0825613514324	0.687878441603	-0.259433556369	0.989023670482	0.063787069944	-0.102666974622	0.0456434325983	0.0525561118555	-0.0796771225025	-0.28569124089	-0.160356892617	0.612519070916	-0.00602647713687	0.219851966827	-0.0556712831265	-0.00904095437699	0.498371204319	0.0116452520102	0.338289475707	35.7145213734	16.2949745681	-18.0811682327
17	1.4030394865	-0.159666394353	-0.160486460717	0.969768521894	-0.310467950016	1.13586422264	0.074066618497	-0.317578187019	0.010787295001	0.13515812058	-0.0539042798659	-0.17201647763	-0.114081789717	0.396233369952	-0.0371604272001	0.197643906603	-0.050080024923	-0.0718639546296	0.34938853392	-0.00572723568484	0.228953825931	19.0733277621	15.0098518385	6.61511340356
18	0.328232716203	0.202827737632	-0.212775677475	0.343822851288	-0.313036539903	0.76438796089	0.018666612967	-0.0924938682251	0.0388440474336	0.0426944372801	0.0124469656087	0.00568778897162	-0.0055592890611	0.146354024876	-0.0229162015125	0.217904534907	-0.014668928024	-0.0402456526706	0.261242347666	0.0139131522522	0.240470774856	8.34654763761	11.2001219036	0.835684371854
19	0.517829697459	0.0772291289966	-0.190471923533	1.86780436927	-0.401422133591	0.936007148528	0.044890520729	-0.176623071686	-0.164299474325	0.352076880203	-0.142274780289	-0.0820969343718	0.118303502836	0.27089295141	0.0933171196358	0.322756653828	0.029695647668	-0.0635012024789	0.328295963795	0.0817065277432	0.247113709682	9.40997404251	-4.71575026685	19.8682728208
20	0.977859753252	-0.226192698604	-0.193757358995	0.462756430103	-0.31558008935	0.445414691286	0.0437213390861	-0.237221747462	-0.127437308809	0.0716264457649	-0.0469900218211	-0.11186150441	0.360218449172	0.375253091513	0.0432574774986	0.444375566218	0.146293907896	-0.0805121618034	0.442200946407	0.157105969847	0.421301059812	20.0061263594	-20.0056814796	15.8306043669
21	1.26625689034	-0.266393508772	0.0903795336878	1.36369473251	-0.0970362632259	0.842878337932	-0.056782088214	-0.242510505376	-0.246994737096	0.0380966625131	0.0418163052332	-0.0662924540765	0.381797975	0.198413044388	-0.0233003029564	0.435380433076	0.0866898752127	-0.0599607429406	0.339707717553	0.136503704662	0.385347184587	9.87096387945	-21.3128009545	18.6930117707
22	0.563505726867	-0.0152162945905	-0.0142146200806	0.323919845205	-0.324492705368	0.477613078018	0.000397068144343	-0.108253150675	-0.169564314654	0.097790239769	-0.0921901365834	-0.276103692868	0.241525962043	0.506895306817	0.0917600331975	0.35592811127	0.14271189824	-0.0865420445032	0.579031673203	0.103250089825	0.435852619774	33.7368073134	-9.96136730416	6.40895074391
23	1.45620543718	0.242351158035	0.763268265396	1.35618724048	0.183224135162	1.31019770679	0.0588475624463	-0.00128637789836	-0.208022955836	0.0545747606649	-0.0519309434106	-0.308949690735	0.262980134349	0.676038362742	-0.00226464637562	0.28727515347	0.119222499541	-0.0195473278133	0.723312936342	0.0672987857774	0.464333911062	43.1297081245	-5.8850852252	-5.87593533443

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'A' and (resid 1 through 166 )	A	A	1 - 166	1 - 166
2	2	chain 'A' and (resid 167 through 219 )	A	A	167 - 219	167 - 219
3	3	chain 'A' and (resid 220 through 467 )	A	A	220 - 467	220 - 467
4	4	chain 'A' and (resid 468 through 539 )	A	A	468 - 539	468 - 539
5	5	chain 'B' and (resid 1 through 30 )	B	H	1 - 30	1 - 30
6	6	chain 'B' and (resid 31 through 75 )	B	H	31 - 75	31 - 75
7	7	chain 'B' and (resid 76 through 166 )	B	H	76 - 166	76 - 166
8	8	chain 'B' and (resid 167 through 219 )	B	H	167 - 219	167 - 219
9	9	chain 'B' and (resid 220 through 337 )	B	H	220 - 337	220 - 337
10	10	chain 'B' and (resid 338 through 456 )	B	H	338 - 456	338 - 456
11	11	chain 'B' and (resid 457 through 539 )	B	H	457 - 539	457 - 539
12	12	chain 'C' and (resid 1 through 166 )	C	N	1 - 166	1 - 166
13	13	chain 'C' and (resid 167 through 219 )	C	N	167 - 219	167 - 219
14	14	chain 'C' and (resid 220 through 314 )	C	N	220 - 314	220 - 314
15	15	chain 'C' and (resid 315 through 359 )	C	N	315 - 359	315 - 359
16	16	chain 'C' and (resid 360 through 539 )	C	N	360 - 539	360 - 539
17	17	chain 'D' and (resid 1 through 75 )	D	T	1 - 75	1 - 75
18	18	chain 'D' and (resid 76 through 166 )	D	T	76 - 166	76 - 166
19	19	chain 'D' and (resid 167 through 219 )	D	T	167 - 219	167 - 219
20	20	chain 'D' and (resid 220 through 280 )	D	T	220 - 280	220 - 280
21	21	chain 'D' and (resid 281 through 337 )	D	T	281 - 337	281 - 337
22	22	chain 'D' and (resid 338 through 467 )	D	T	338 - 467	338 - 467
23	23	chain 'D' and (resid 468 through 539 )	D	T	468 - 539	468 - 539

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