PDB-9c5h: Trypanosoma cruzi beta-3-HBDH structure in complex with NADPH and...

ID or keywords:

Entry

Database: PDB / ID: 9c5h

Title

Trypanosoma cruzi beta-3-HBDH structure in complex with NADPH and malonate

Components

Hydroxybutyrate dehydrogenase

Keywords

OXIDOREDUCTASE / Trypanosoma cruzi / NADPH / malonate / beta-3-Hydroxybutyrate dehydrogenase

Function / homology

Function and homology information

3-hydroxybutyrate dehydrogenase activity / monocarboxylic acid metabolic process / 3-oxoacyl-[acyl-carrier-protein] reductase / lipid metabolic process
Similarity search - Function

Biological species

Trypanosoma cruzi (eukaryote)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.59 Å

Authors

Hashimoto, H. / Debler, E.W.

Funding support

United States, 1items

Citation

Journal: To Be Published
Title: Trypanosoma cruzi D-3-hydroxybutyrate dehydrogenase (HBDH) is NADP-dependent enzyme.
Authors: Hashimoto, H. / Debler, E.W.

History

Deposition	Jun 6, 2024	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 27, 2025	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	9c5h.cif.gz	660.8 KB	Display	PDBx/mmCIF format
PDB format	pdb9c5h.ent.gz	503 KB	Display	PDB format
PDBx/mmJSON format	9c5h.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9c5h_validation.pdf.gz	2.7 MB	Display	wwPDB validaton report
Full document	9c5h_full_validation.pdf.gz	2.7 MB	Display
Data in XML	9c5h_validation.xml.gz	56.8 KB	Display
Data in CIF	9c5h_validation.cif.gz	75.9 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/c5/9c5h ftp://data.pdbj.org/pub/pdb/validation_reports/c5/9c5h	HTTPS FTP

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Related structure data

Related structure data	9c5iC 9c5jC 9c5kC 9c5lC 9c5mC 9c5nC 9c5oC C: citing same article (ref.)
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	#188 - Aug 2015 Tetrahydrobiopterin Biosynthesis similarity (3) #90 - Jun 2007 Fatty Acid Synthase similarity (3) #216 - Dec 2017 Biodegradable Plastic similarity (3) #77 - May 2006 Glucose Oxidase similarity (2) #34 - Oct 2002 Dihydrofolate Reductase similarity (1) #57 - Sep 2004 Catalase similarity (1)

Deposited unit

A: Hydroxybutyrate dehydrogenase

B: Hydroxybutyrate dehydrogenase

C: Hydroxybutyrate dehydrogenase

D: Hydroxybutyrate dehydrogenase

hetero molecules

119 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)	120.575, 81.525, 121.324
Angle α, β, γ (deg.)	90.000, 107.400, 90.000
Int Tables number	5
Space group name H-M	C121
Space group name Hall	C2y
Symmetry operation	#1: x,y,z #2: -x,y,-z #3: x+1/2,y+1/2,z #4: -x+1/2,y+1/2,-z

Components on special symmetry positions

ID	Model	Components
1	1	C-420- HOH
2	1	D-541- HOH

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Protein , 1 types, 4 molecules ABCD

#1: Protein	Hydroxybutyrate dehydrogenase Mass: 28617.025 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Details: genomic DNA / Source: (gene. exp.) Trypanosoma cruzi (eukaryote) / Strain: Sylvio X10/1 / Gene: C4B63_13g310 / Plasmid: pED624 / Details (production host): His-3C-TcHBDH / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): RIL-codon plus / References: UniProt: A0A2V2VPF1

#1: Protein

Hydroxybutyrate dehydrogenase

Mass: 28617.025 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Details: genomic DNA / Source: (gene. exp.)

Trypanosoma cruzi (eukaryote) / Strain: Sylvio X10/1 / Gene: C4B63_13g310 / Plasmid: pED624 / Details (production host): His-3C-TcHBDH / Production host:

Escherichia coli BL21(DE3) (bacteria) / Strain (production host): RIL-codon plus / References: UniProt: A0A2V2VPF1

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Non-polymers , 5 types, 871 molecules

#2: Chemical	ChemComp-NDP / NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Mass: 745.421 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂₁H₃₀N₇O₁₇P₃ / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	ChemComp-MLI / MALONATE ION Mass: 102.046 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₃H₂O₄ / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C₂H₆O₂
#5: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER Mass: 106.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 852 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	Y
Has protein modification	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: 2.49 Å³/Da / Density % sol: 50.51 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5.6 Details: 0.1 M Sodium Citrate, pH 5.6, 2% Tacsimate, pH 5.0, 16% PEG 3350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.0332 Å
Detector	Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Nov 13, 2022
Radiation	Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.0332 Å / Relative weight: 1
Reflection	Resolution: 1.59→29.66 Å / Num. obs: 149409 / % possible obs: 99.1 % / Redundancy: 6.6 % / B_iso Wilson estimate: 24.87 Å² / CC_1/2: 0.993 / R_merge(I) obs: 0.09 / Net I/σ(I): 21.4
Reflection shell	Resolution: 1.59→1.65 Å / Redundancy: 5.5 % / R_merge(I) obs: 1.329 / Mean I/σ(I) obs: 1.41 / Num. unique obs: 14345 / CC_1/2: 0.64 / % possible all: 95.6

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Processing

Software

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

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.59→29.66 Å / SU ML: 0.1964 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 20.554
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.1658	1990	1.34 %	random
R_work	0.1446	147036	-	-
obs	0.1449	149026	98.65 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 35.47 Å²

Refinement step

Cycle: LAST / Resolution: 1.59→29.66 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	7759	0	267	853	8879

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0081	8196
X-RAY DIFFRACTION	f_angle_d	1.0189	11132
X-RAY DIFFRACTION	f_chiral_restr	0.0549	1302
X-RAY DIFFRACTION	f_plane_restr	0.0081	1419
X-RAY DIFFRACTION	f_dihedral_angle_d	13.4351	2933

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 (%)
1.59-1.63	0.3377	130	0.3216	9657	X-RAY DIFFRACTION	91.3
1.63-1.67	0.2951	139	0.2734	10272	X-RAY DIFFRACTION	97.14
1.67-1.72	0.2739	140	0.2362	10440	X-RAY DIFFRACTION	98.13
1.72-1.78	0.2329	142	0.2023	10449	X-RAY DIFFRACTION	98.39
1.78-1.84	0.2062	142	0.1864	10468	X-RAY DIFFRACTION	98.89
1.84-1.91	0.2127	141	0.1864	10519	X-RAY DIFFRACTION	98.93
1.91-2	0.2173	142	0.156	10502	X-RAY DIFFRACTION	99.23
2-2.11	0.1495	144	0.1478	10575	X-RAY DIFFRACTION	99.56
2.11-2.24	0.189	143	0.1379	10625	X-RAY DIFFRACTION	99.72
2.24-2.41	0.155	144	0.1345	10614	X-RAY DIFFRACTION	99.81
2.41-2.65	0.1841	145	0.1331	10652	X-RAY DIFFRACTION	99.94
2.65-3.04	0.1846	146	0.1379	10721	X-RAY DIFFRACTION	99.99
3.04-3.82	0.1518	145	0.1326	10692	X-RAY DIFFRACTION	100
3.82-29.66	0.1196	147	0.1259	10850	X-RAY DIFFRACTION	99.94

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	2.76315658645	-1.23940019483	0.483164042926	3.26808254417	-0.390099112249	2.63662907925	0.00784249024361	0.294700053627	0.075445572949	-0.162144136561	0.0282932564721	0.0895927350906	-0.271154600892	0.0218852161739	-0.0694888527992	0.395926336464	-0.0870586527261	-0.00695195823445	0.279795988857	0.0305507210349	0.171635548784	-33.0220133332	16.7774721096	11.1712966997
2	6.89411148281	-3.05653514131	1.89924474921	2.25137313341	-1.12767568932	2.16900724362	0.0450959918685	0.336144458984	-0.118816839194	-0.250239653646	-0.0503474023884	0.00446123151164	-0.233173313836	0.0103891656884	-0.00528905967747	0.503358490065	-0.126802983737	0.00875918824158	0.351387974393	0.0604596930425	0.247000933985	-30.3634387279	20.5405630559	7.84814149672
3	7.31184177905	-4.93507243131	-1.38425031784	7.32064998553	1.19658230748	1.73012029209	-0.241830533441	0.319895296275	0.70377391277	0.370212441558	0.0531123630887	-0.601588004861	-0.776003866291	0.353349860786	-0.0149882993212	0.62614056436	-0.218543505959	-0.0448941645647	0.383858009396	0.072607978594	0.338130729967	-21.957140459	25.5991596047	16.8982996621
4	2.68249988091	-2.59846960618	-0.675340456597	3.88410190794	0.598745402716	1.39121186281	-0.0262467337875	0.17331390478	0.0251610247278	-0.193292857778	-0.0202977597796	-0.243886108779	-0.202569987899	0.283114217878	0.158173224624	0.369891121955	-0.126396723684	0.0449624112002	0.393602402962	0.00567925597796	0.254892833339	-20.1577981547	6.40701048349	14.8569498788
5	1.94806595082	-1.1487958012	-0.688813290732	2.53562272885	0.784486429263	2.49838029834	0.0609119840142	0.252015587912	0.171358469368	-0.225041803253	-0.0951281468965	-0.332259158725	-0.532969792532	0.283907104051	-0.0402164485426	0.442647171911	-0.173804177704	0.00291697674421	0.350399994171	0.0349658619487	0.288142117075	-18.7134376367	13.3642475514	22.0991311743
6	0.800213645911	-0.294916435388	-0.026828262081	1.23165866093	-0.0933709813037	1.54000678928	-0.0383577199983	0.149769888686	-0.0312838708381	-0.116619812737	0.0366086676279	-0.0767035465075	-0.200544865341	0.168727939648	0.0232715146264	0.297143470688	-0.104652233821	0.0157649889876	0.266200460979	-0.014042542077	0.207758022079	-26.4154427716	4.32988338591	22.9125568899
7	7.10417227836	-5.10104238018	-5.4627965059	6.46177524185	5.61070813966	5.70924388485	0.225680348849	0.235035166315	0.0483314317171	-0.942477409836	0.229152248152	-0.340478908173	-0.541977121381	0.733713043313	-0.430877868631	0.536777791825	-0.106493115173	0.042601072862	0.526647383746	-0.06938320937	0.23337039385	-22.9655904315	-5.22774615938	0.909379672403
8	4.0815042872	-0.473552081433	-5.4338107934	6.28667491052	-2.87283089998	9.41355540326	0.0620002648524	0.0685633225616	-0.32717229889	-0.242336766092	-0.380474585002	0.221622593353	0.0557495751865	-0.593630300288	0.307466884774	0.460111938757	-0.0038069993417	-0.0259929867644	0.459015258472	-0.13089028619	0.276212084354	-28.7652365867	-11.9556925276	0.744715449099
9	0.71789954952	-0.41210752152	0.152758877992	3.42271599491	0.988417984022	2.1530703546	-0.0131452523418	0.145030199834	-0.0301295391106	-0.221384210554	0.0559348731817	0.0496691570026	-0.105599237618	-0.0524456025314	-0.0496733400718	0.240498502322	-0.0839991637766	0.0143784835161	0.277142445902	-0.0137460262121	0.182976819088	-35.9078126945	0.55221026278	19.2277833143
10	5.32848732187	0.32580066544	-0.985927130315	2.67015743063	0.330598663888	4.93104246883	-0.045771027467	-0.0756534954085	0.120490533015	-0.0660752527997	0.0236747297367	0.473584810563	-0.217569344387	-0.0496146615604	-0.00969913015178	0.169613197176	0.0321773421886	-0.0307104349763	0.28458834574	0.0533937498104	0.36567415941	-58.7220876705	0.48456009857	30.5054161532
11	5.48565501434	-5.56860644287	2.30551432923	9.33616689554	-3.61994188459	3.09300820932	0.0273947445026	-0.101466987561	0.0377261067641	0.0458457468512	-0.018446910498	0.489378262017	-0.146373865009	-0.0433354970244	-0.0295592424956	0.180088768586	-0.000676126094315	0.019364345899	0.331998769326	0.0297102267976	0.409189635998	-63.8924448802	-1.03312994768	32.4699743776
12	2.8052431251	-1.76703981904	2.87394362865	4.03732616265	-3.19145939288	5.51757970537	0.110365851395	0.0934723771811	-0.471243464566	-0.502005715153	0.355012283938	0.779881926422	0.587532247545	-0.550857384984	-0.431701102105	0.295016579135	-0.0942814356216	-0.0190580796639	0.463076337368	0.064475797295	0.585249055029	-63.8503582345	-13.5930863892	28.0689737014
13	1.73070950274	-0.668383309937	1.85115040323	1.34501640647	-0.903315290887	3.67129979258	-0.147179664553	-0.237879074375	-0.0863034639931	0.0601160092569	0.195535683855	0.186398811092	-0.191128808606	-0.446128474951	-0.0151876058027	0.199856206009	-0.014064996658	0.0385711726684	0.338880522547	0.0362357406381	0.308900200563	-48.6575387456	-9.77018368972	39.4354244071
14	1.4758562462	0.0931123517464	0.650390174866	1.33687388836	-0.0435335344022	2.66728404906	-0.0380925344843	-0.00644553654553	-0.1161928447	-0.0774733226581	0.154753965875	0.208562837134	-0.0576924442968	-0.22053616732	-0.118636247556	0.173140863136	-0.0246306616554	0.00131071295071	0.250993847252	0.0123473882485	0.269837875846	-45.4986052291	-10.829998601	31.7669261375
15	8.60028267785	1.93314476772	4.66792706525	3.57985900601	3.29114397266	9.35722233696	0.0107349845031	-1.07019560184	-0.00426366101675	1.49508031292	-0.281779967764	0.982351799586	-0.106659674768	-0.763349553134	0.192179880365	0.750978420031	0.111024994292	0.184811442899	0.612900702521	-0.00365657178532	0.459549042635	-45.2324744703	1.54403828843	53.5789452489
16	6.33490374753	-0.485857405263	-0.907753889929	3.37707099471	4.10812050677	5.00448286801	0.103659840782	-1.21233768852	0.819700587374	0.898260415924	-0.320237478177	0.290566367226	-1.30233851021	-0.0797941991629	-0.0482422653662	0.964985055607	0.0699073893153	0.041299279641	0.548754046083	-0.135226699587	0.380063038565	-39.9747788941	8.39265222464	53.7283345794
17	2.14611125224	0.0302658665538	0.787049721871	1.83269262153	-0.0136332123832	1.79897501926	-0.110249121666	0.0324029040821	0.0302814819527	0.0289099065673	0.13055706502	0.135197350414	-0.207166324814	-0.104552473655	-0.0297731165431	0.261984674213	-0.0337916198227	0.0235240989495	0.218904969437	0.0205599870206	0.206722564047	-40.4324877366	2.85548835818	30.8431911908
18	0.391480441523	-0.770285754102	-0.868672928614	3.11060769427	-0.0168394778412	4.88908753008	0.0529173434785	0.0162290889147	-0.51956312557	-0.207396747744	0.0386680964263	-0.197122561435	0.327458520067	0.0588014505203	-0.0857667350787	0.231034689411	0.0196431749535	-0.0397532166819	0.179009356535	-0.0181396260435	0.510481743132	-23.5543842836	-35.6878726552	43.6313725778
19	5.78193160974	-1.17109327312	0.271416438997	3.26490295396	-0.255236217525	2.00006264307	0.0135115022432	0.049388022008	-0.885364436861	-0.154224923178	0.015280637132	-0.0585801675377	0.380430924445	0.0494742058448	-0.0213335217225	0.285602971722	-0.0279074767362	-0.0340856112887	0.230598923373	0.0151019207019	0.536926780373	-26.5714133447	-40.0162555796	45.6520572737
20	2.03079890852	-1.89979949209	1.74926631329	3.75982612684	0.163197617285	4.2857165008	-0.161859434544	-0.765685446751	-0.650036805328	0.394662264637	0.215104021799	0.249921757248	0.00794774421469	-0.4551736043	-0.0898524273732	0.273211167556	-0.0461372496607	0.00788189627433	0.368339554039	0.112752969084	0.465514578101	-34.1574003927	-34.0354451373	54.4093517902
21	1.20641639401	-0.00023202765917	0.779375794379	0.943312376764	-0.252063534811	1.67461670352	0.0522395393267	-0.019019933255	-0.27687941312	-0.0429079763478	0.0913476092851	0.0211856414297	0.133705970843	-0.0592549296448	-0.156642656693	0.18624840879	-0.0280299060724	-0.00483446465281	0.207661478909	-0.0142717260306	0.304154116388	-33.3987394758	-22.3609850437	39.7342014956
22	8.69488708597	1.42291779732	4.50900491929	6.14854822249	2.38504916104	4.04595281295	-0.0839609858249	0.604903391708	-1.14478977587	-0.56218734539	0.305966617674	0.451891430005	0.822230358243	-0.640158752251	-0.158228601231	0.652902971613	-0.134692251254	-0.0347295765785	0.5005973291	-0.196062475493	0.701853196405	-34.5705507142	-34.4082202499	19.2362961551
23	1.00935303471	0.942470379832	1.98462125724	7.91082291102	5.45318228839	5.79295475254	-0.196380288159	0.973602107043	-0.782285980732	-0.605149340497	0.444369303408	-0.641235770209	1.37182860536	0.424607022186	-0.42137907208	0.801484638227	-0.0552199834896	0.0199670327665	0.699200476797	-0.30555346197	0.589345484894	-28.422080762	-32.4854895581	13.407682914
24	1.41558507666	-0.376544480088	-0.00940564611877	1.51012058863	-0.095715876941	3.22780702249	0.0232894021366	0.211735198793	-0.270865248515	-0.143876831014	0.0459590104285	-0.14690454087	0.139939045263	0.236419045789	-0.085065581987	0.180702864512	-0.031446071918	0.0230872772003	0.250594073973	-0.0715557852215	0.337843692342	-20.6100338165	-21.284181758	32.6024977224
25	3.99742202214	2.0996758017	-0.246730843082	2.00233239376	-0.651120525189	2.24750920891	-0.0175169026583	-0.0402574700018	-0.163065222076	0.163096547502	-0.152584713241	-0.752605848676	-0.114263147423	0.55594900455	0.0505230130035	0.217813308706	-0.0577874222086	-0.0155529046226	0.556670648365	-0.0038561932793	0.548348630501	2.46808642882	-11.2128787153	36.6681388133
26	4.21305278142	-0.5601098332	1.51243635319	4.07377310611	-1.51196754142	2.41865819014	-0.00170095898662	0.0871065546514	-0.266401338515	0.1052309084	-0.154446189383	-0.729264935342	-0.181283540011	0.872204081406	0.15713791959	0.253813792718	-0.115442506091	0.00594378446983	0.698911706493	-0.0170785026799	0.638031367326	7.65730288611	-9.23127533789	36.1907593836
27	3.09352352612	-2.68220308742	0.255843959533	6.17311463515	-0.211635229207	1.39861709604	0.0499309814821	0.830806877447	-0.337368660081	-0.757962860642	-0.299920464908	-0.692697322503	-0.11823722638	0.557898050388	0.252639354982	0.322295426281	-0.17182343308	0.148733266299	0.953965655262	-0.0495038223803	0.627714252564	7.24839768594	-7.5217665501	22.9118388917
28	1.00027533589	-0.0575182629262	0.190116848942	1.32678264136	0.0243195721521	1.25359718408	-0.0662221726476	0.207347387987	-0.0452953595171	-0.0942434886299	0.0194248984731	-0.375935954787	-0.171566140716	0.403778602202	0.0437219450576	0.213069107731	-0.114210863179	0.0395728996965	0.393572107569	-0.0273403280251	0.305913008345	-10.2929751983	-3.99205980813	28.3932482058
29	8.14812962382	-6.69715656454	-6.29970524698	6.07873744921	5.2186912181	5.59446695784	-0.182344786315	-0.00274729629351	1.00724602858	-0.000584694575799	0.493289311414	-1.13864362142	-1.22006965637	0.804077514859	-0.299567780379	0.59743270927	-0.149493512862	-0.159411323482	0.422541776804	-0.0144370699529	0.483112875124	-10.3907564214	9.0333148742	48.2645746353
30	8.51121496865	1.3219431039	-1.40058827856	1.01100818931	2.10023294114	6.95763026046	0.384318392408	-0.618630568799	0.0696815406702	1.20155986521	0.119166062245	-0.548265774169	0.513835565981	0.2076120196	-0.344983428105	0.730389264598	-0.0622502927122	-0.157884333981	0.353936496073	-0.0168748450344	0.344840749516	-15.5238717207	6.13420120801	54.5323403798
31	1.87014427031	-0.244313637385	0.06765532265	1.45133098274	0.293475648184	2.43416417275	-0.0819060699465	0.0607310353627	-0.208481247319	0.0820943961864	0.0600202826408	-0.209276408147	-0.0373128040772	0.270898611024	0.008105670481	0.217574711275	-0.0631147482445	-0.00660865541266	0.290428327746	-0.0234736156496	0.322866317481	-15.8450250434	-11.8017666756	39.5517072145

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 5 through 47 )	A	A	5 - 47	1 - 43
2	2	chain 'A' and (resid 48 through 71 )	A	A	48 - 71	44 - 67
3	3	chain 'A' and (resid 72 through 85 )	A	A	72 - 85	68 - 81
4	4	chain 'A' and (resid 86 through 108 )	A	A	86 - 108	82 - 104
5	5	chain 'A' and (resid 109 through 137 )	A	A	109 - 137	105 - 133
6	6	chain 'A' and (resid 138 through 195 )	A	A	138 - 195	134 - 191
7	7	chain 'A' and (resid 196 through 209 )	A	A	196 - 209	192 - 205
8	8	chain 'A' and (resid 210 through 223 )	A	A	210 - 223	206 - 219
9	9	chain 'A' and (resid 224 through 266 )	A	A	224 - 266	220 - 262
10	10	chain 'B' and (resid 5 through 47 )	B	B	5 - 47	1 - 43
11	11	chain 'B' and (resid 48 through 71 )	B	B	48 - 71	44 - 67
12	12	chain 'B' and (resid 72 through 85 )	B	B	72 - 85	68 - 81
13	13	chain 'B' and (resid 86 through 108 )	B	B	86 - 108	82 - 104
14	14	chain 'B' and (resid 109 through 195 )	B	B	109 - 195	105 - 191
15	15	chain 'B' and (resid 196 through 209 )	B	B	196 - 209	192 - 205
16	16	chain 'B' and (resid 210 through 223 )	B	B	210 - 223	206 - 219
17	17	chain 'B' and (resid 224 through 266 )	B	B	224 - 266	220 - 262
18	18	chain 'C' and (resid 5 through 47 )	C	H	5 - 47	1 - 43
19	19	chain 'C' and (resid 48 through 71 )	C	H	48 - 71	44 - 67
20	20	chain 'C' and (resid 72 through 85 )	C	H	72 - 85	68 - 81
21	21	chain 'C' and (resid 86 through 195 )	C	H	86 - 195	82 - 191
22	22	chain 'C' and (resid 196 through 209 )	C	H	196 - 209	192 - 205
23	23	chain 'C' and (resid 210 through 223 )	C	H	210 - 223	206 - 219
24	24	chain 'C' and (resid 224 through 266 )	C	H	224 - 266	220 - 262
25	25	chain 'D' and (resid 6 through 47 )	D	M	6 - 47	1 - 42
26	26	chain 'D' and (resid 48 through 71 )	D	M	48 - 71	43 - 66
27	27	chain 'D' and (resid 72 through 85 )	D	M	72 - 85	67 - 80
28	28	chain 'D' and (resid 86 through 195 )	D	M	86 - 195	81 - 190
29	29	chain 'D' and (resid 196 through 209 )	D	M	196 - 209	191 - 204
30	30	chain 'D' and (resid 210 through 223 )	D	M	210 - 223	205 - 218
31	31	chain 'D' and (resid 224 through 266 )	D	M	224 - 266	219 - 261

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