PDB-10qv: Crystal Structure of NQO1 Complexed with S-Warfarin

ID or keywords:

Entry

Database: PDB / ID: 10qv

Title

Crystal Structure of NQO1 Complexed with S-Warfarin

Components

NAD(P)H dehydrogenase [quinone] 1

Keywords

FLAVOPROTEIN / Cytoplasmic flavoprotein / antioxidant

Function / homology

Function and homology information

ubiquinone metabolic process / vitamin E metabolic process / NAD(P)H dehydrogenase (quinone) / NADPH dehydrogenase (quinone) activity / cytochrome-b5 reductase activity, acting on NAD(P)H / vitamin K metabolic process / NADH dehydrogenase (quinone) (non-electrogenic) activity / NAD(P)H dehydrogenase (quinone) activity / NFE2L2 regulating anti-oxidant/detoxification enzymes / Regulation of ornithine decarboxylase (ODC) ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.9 Å

Authors

Corrigan, M.C. / Vargas, A.L. / Moran, G.R. / Liu, D.

Funding support

United States, 1items

Citation

Journal: Arch.Biochem.Biophys. / Year: 2026
Title: Structural and kinetic analysis of human NQO1: Evidence for therapeutic inhibition by racemic warfarin.
Authors: Alt, T.B. / Corrigan, M.C. / Krawczykowski, K.J. / Smith, C.O. / Vargas, A.L. / Liu, D. / Moran, G.R.

History

Deposition	Feb 2, 2026	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jul 8, 2026	Provider: repository / Type: Initial release
Revision 1.1	Jul 15, 2026	Group: Database references / Category: citation / Item: _citation.journal_volume / _citation.title

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	10qv.cif.gz	569.4 KB	Display	PDBx/mmCIF format
PDB format	pdb10qv.ent.gz	388.8 KB	Display	PDB format
PDBx/mmJSON format	10qv.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/0q/10qv ftp://data.pdbj.org/pub/pdb/validation_reports/0q/10qv	HTTPS FTP

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Related structure data

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	#172 - Apr 2014 RecA and Rad51 similarity (1)

Deposited unit

A: NAD(P)H dehydrogenase [quinone] 1

B: NAD(P)H dehydrogenase [quinone] 1

C: NAD(P)H dehydrogenase [quinone] 1

D: NAD(P)H dehydrogenase [quinone] 1

hetero molecules

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

1

A: NAD(P)H dehydrogenase [quinone] 1

D: NAD(P)H dehydrogenase [quinone] 1

hetero molecules

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

2

B: NAD(P)H dehydrogenase [quinone] 1

C: NAD(P)H dehydrogenase [quinone] 1

hetero molecules

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

Unit cell

Length a, b, c (Å)	60.582, 105.587, 197.102
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

#1: Protein	NAD(P)H dehydrogenase [quinone] 1 / Azoreductase / DT-diaphorase / DTD / Menadione reductase / NAD(P)H:quinone oxidoreductase 1 / ...Azoreductase / DT-diaphorase / DTD / Menadione reductase / NAD(P)H:quinone oxidoreductase 1 / Phylloquinone reductase / Quinone reductase 1 / QR1 Mass: 33078.969 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: NQO1, DIA4, NMOR1 / Production host: Escherichia coli (E. coli) References: UniProt: P15559, NAD(P)H dehydrogenase (quinone)
#2: Chemical	ChemComp-FAD / FLAVIN-ADENINE DINUCLEOTIDE Mass: 785.550 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₂₇H₃₃N₉O₁₅P₂ / Comment: FAD*YM
#3: Chemical	ChemComp-SWF / S-WARFARIN Mass: 308.328 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₉H₁₆O₄ / Feature type: SUBJECT OF INVESTIGATION
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 931 / Source method: isolated from a natural source / Formula: H₂O
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: 2.38 Å³/Da / Density % sol: 48.37 %
Crystal grow	Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 20% PEG 3350, 200 mM potassium sodium tartrate pH 7.5

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Data collection

Diffraction	Mean temperature: 298 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å
Detector	Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Dec 6, 2025
Radiation	Monochromator: C(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97872 Å / Relative weight: 1
Reflection	Resolution: 1.897→98.551 Å / Num. obs: 77320 / % possible obs: 95 % / Redundancy: 13.9 % / B_iso Wilson estimate: 26.56 Å² / CC_1/2: 0.978 / Net I/σ(I): 9.3
Reflection shell	Resolution: 1.897→5.776 Å / Num. unique obs: 3867 / CC_1/2: 0.273

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Processing

Software

Name	Version	Classification
PHENIX	1.21.2_5419	refinement
autoPROC		data reduction
autoPROC		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.9→72.05 Å / SU ML: 0.2258 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 24.5361
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2288	3887	5.03 %
R_work	0.1785	73433	-
obs	0.181	77320	76.68 %

Solvent computation

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

Displacement parameters

B_iso mean: 36.55 Å²

Refinement step

Cycle: LAST / Resolution: 1.9→72.05 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8679	0	235	931	9845

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0026	9166
X-RAY DIFFRACTION	f_angle_d	0.5413	12427
X-RAY DIFFRACTION	f_chiral_restr	0.0425	1303
X-RAY DIFFRACTION	f_plane_restr	0.0041	1548
X-RAY DIFFRACTION	f_dihedral_angle_d	17.1834	3467

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 (%)
1.9-1.92	0.7515	1	0.3466	51	X-RAY DIFFRACTION	1.49
1.92-1.94	0.3825	10	0.3621	168	X-RAY DIFFRACTION	5
1.94-1.97	0.2584	14	0.3239	322	X-RAY DIFFRACTION	9.58
1.97-2	0.3117	37	0.3084	512	X-RAY DIFFRACTION	15.35
2-2.03	0.3168	34	0.2943	787	X-RAY DIFFRACTION	23.19
2.03-2.06	0.3309	80	0.2931	1394	X-RAY DIFFRACTION	41.69
2.06-2.09	0.3151	94	0.2916	1866	X-RAY DIFFRACTION	54.28
2.09-2.12	0.3347	111	0.2754	2013	X-RAY DIFFRACTION	60.22
2.12-2.16	0.351	115	0.2633	2380	X-RAY DIFFRACTION	69.52
2.16-2.2	0.3171	136	0.2545	2646	X-RAY DIFFRACTION	78.52
2.2-2.24	0.3175	161	0.2476	3006	X-RAY DIFFRACTION	87.73
2.24-2.29	0.2947	159	0.2394	3144	X-RAY DIFFRACTION	93.76
2.29-2.34	0.2849	176	0.2242	3392	X-RAY DIFFRACTION	98.86
2.34-2.39	0.2869	179	0.2185	3371	X-RAY DIFFRACTION	99.8
2.39-2.45	0.2906	183	0.2202	3375	X-RAY DIFFRACTION	100
2.45-2.52	0.27	174	0.2099	3450	X-RAY DIFFRACTION	100
2.52-2.59	0.261	172	0.209	3402	X-RAY DIFFRACTION	100
2.59-2.67	0.2618	176	0.2028	3401	X-RAY DIFFRACTION	99.94
2.67-2.77	0.2604	186	0.1908	3439	X-RAY DIFFRACTION	100
2.77-2.88	0.2549	174	0.1867	3408	X-RAY DIFFRACTION	100
2.88-3.01	0.2408	184	0.1868	3432	X-RAY DIFFRACTION	100
3.01-3.17	0.2099	163	0.1834	3455	X-RAY DIFFRACTION	100
3.17-3.37	0.2268	182	0.1688	3435	X-RAY DIFFRACTION	100
3.37-3.63	0.1805	177	0.1472	3449	X-RAY DIFFRACTION	100
3.63-3.99	0.1834	214	0.1348	3441	X-RAY DIFFRACTION	100
3.99-4.57	0.1737	184	0.1234	3496	X-RAY DIFFRACTION	100
4.57-5.76	0.1909	202	0.1354	3518	X-RAY DIFFRACTION	100
5.76-72.05	0.2002	209	0.1632	3680	X-RAY DIFFRACTION	99.69

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	1.69594556579	0.476998828685	1.05083200447	3.99588323787	0.135102188123	3.58642151727	-0.0707638851684	0.165148035828	-0.427304875893	-0.470846874964	-0.0941941624033	-0.601838755008	0.182173163213	0.485095976806	0.114737371711	0.224650901855	0.0617504981249	0.0803057570462	0.290365085072	-0.119287786887	0.353413013806	-14.512719715	-5.82955509338	-36.5087751017
2	2.15978480638	0.3579420133	-0.398804505897	1.47066953568	-0.293114421294	1.61416499439	0.0890229502677	-0.233337660716	-0.482008725912	0.162613122291	-0.152947506377	-0.53271026709	0.177102503067	0.501451160865	0.0371226097079	0.215424333155	0.0498130961714	-0.0742322177016	0.328161160826	0.0269211036411	0.440696162136	-10.655054867	-5.39233593684	-22.7225482043
3	2.20866868217	0.0191213283619	-0.0513112212997	1.59694199748	-0.123243188563	1.222560467	0.0393357561644	-0.0381884978992	-0.163816383448	0.167386548487	0.0224266154979	-0.406336522603	0.0871959728109	0.187978466132	-0.0433909237344	0.101181910447	0.0347478580995	-0.01730721495	0.150172428599	-0.0173580281432	0.190386693472	-18.3581488022	0.0296733267716	-25.9756855101
4	1.50891191913	0.258403833232	-0.205987948343	1.68507427869	-0.0359685243939	1.36674071998	-0.0458780443552	0.333840327035	-0.188562087982	-0.243484222645	0.0840399013657	-0.0887825259284	0.108636469502	0.0446583867083	-0.0353086805539	0.113282926763	0.0178576027481	0.0244417542309	0.210096511848	-0.0521720063708	0.135310187151	-27.3270595033	1.16348887836	-36.6984086679
5	2.43150116919	0.270639878886	0.581023189965	2.39770899263	-0.307711113435	1.36792064885	0.008908981029	-0.422197773434	0.525887492181	0.406767761156	-0.238536321999	0.155826749087	-0.390196505905	-0.49814838926	0.0966690006345	0.190479908213	0.0181245360662	0.0136870330591	0.223376534133	-0.0974129236116	0.324495632266	-30.8007087649	19.4485238205	-19.5960906851
6	2.09397899495	-0.463987998546	-0.282715062323	2.25216171732	1.63225421856	3.7583219383	0.124225808734	0.254111067291	0.41981161418	-0.206372304017	-0.125205989966	-0.0497668941758	-0.48660227789	-0.377875876977	-0.0229587925329	0.12930992003	0.0236002186592	0.0233514719594	0.252940597993	0.0331672021845	0.202913877748	-35.2075137463	12.633779202	-29.2057907475
7	2.46860270299	-0.233420197315	0.528391955321	2.81736959057	-0.0773044128931	3.41320163129	-0.0221930010846	0.246498855207	-0.0683628167844	-0.520472184313	0.0702522187043	-0.201310781437	0.273251784933	0.0987987165458	-0.0473444862939	0.261933846772	0.0112865634346	0.0139295273364	0.154540084388	-0.0111474384002	0.1589767609	-6.84213184651	23.8310509326	-45.6976030822
8	1.742677011	0.194012263784	-0.250207000385	1.21850991567	-0.0771671366333	1.78254404893	-0.0292367248757	0.0276667105448	-0.226453914932	-0.177446616065	0.00191458576368	-0.272088980384	0.0545253771281	0.00056313687557	0.0732511812305	0.171296276138	0.0253971388497	0.0124813186081	0.139959318693	-0.0329651829187	0.172041004078	-5.83008083845	21.3241990634	-32.7388767145
9	2.84126225823	-1.38819279887	-1.05776329638	4.56090781563	1.92447817822	0.900726635165	-0.370308806373	-0.45058936432	0.0690262220148	0.983010659192	0.201450201375	-0.18114540355	0.374491166787	0.559788749306	0.164671287629	0.321575784565	0.0791158983492	-0.0777445131006	0.334216697917	0.00287344029097	0.2149752499	1.74373442388	22.6083739089	-13.6330150002
10	1.30457232761	-0.137726313835	-0.198258125529	1.96874576312	-0.16495254755	2.33036105919	0.105590408421	-0.048076262969	-0.00976904706192	-0.000117717863904	0.0117544582624	-0.234710321524	-0.105272921562	0.344024782096	-0.0919171095166	0.175609281231	-0.0197926561284	0.0313603297703	0.160070475066	-0.0258617513545	0.187522943717	-0.0494703547224	29.8884637948	-32.0291287746
11	1.21901388205	0.45108725199	0.519694052461	1.66744260013	0.0549855674585	2.26290995518	0.00996564483525	0.165057324716	0.127580499441	-0.324873271099	0.0751575071795	-0.0266988349512	-0.328084858967	0.107779337394	-0.078283442919	0.264340236816	-0.0173768798502	0.0507422392074	0.172968466772	0.0385132601035	0.147605958563	-6.25083857746	38.759639463	-44.9609080731
12	1.37551402404	-0.206343693668	0.354546576867	2.08487350417	0.128992903607	2.52340556836	0.0179469925956	-0.507710690678	0.164137026784	0.160153451948	-0.0717811292202	-0.426924570859	-0.49971451892	0.325692149059	0.102232270848	0.355805274856	-0.203426372074	0.0354031252859	0.517528272157	-0.0325120353889	0.419530917805	11.3276899126	46.5996057442	-28.7704758976
13	0.624665199512	-0.414588183636	-0.229536383398	1.79042430987	-0.738013911306	1.31596831007	-0.140979005466	-0.0155821362877	0.822270115442	-0.0576951731618	-0.235493185805	-0.668459209667	-1.31539376355	1.19244326845	0.417036210487	0.78548030355	-0.36358217312	0.112996019457	0.559109244469	-0.0212551427171	0.736931262632	10.0661031554	57.2956323092	-33.2225588643
14	0.67414729954	-0.274873408496	0.632050662429	2.50368845672	-0.237860565866	0.739223034108	0.0520533702562	0.245965215356	0.417459830874	-0.688153934213	-0.15557359511	-0.761222435666	-0.718866649216	0.430935467829	0.157047033834	0.69911340234	-0.257613521369	0.214105552389	0.130939773599	0.155680309649	0.263825315102	1.88851009335	51.3031275348	-40.6257380529
15	2.43970868878	1.11323001735	-0.0223589867732	3.07928263944	-0.240996031771	3.08097860886	-0.126197561562	-0.156428418812	0.183840973408	0.275003409727	0.087700434888	0.425809406629	-0.40942352589	-0.274027988665	0.0544403404117	0.228135370764	0.0446856195617	0.002099452874	0.180733116664	-0.0322658773956	0.15833150624	-19.3794695993	38.5634426933	-11.5029598134
16	2.18153548305	-0.270577149265	0.127552241207	2.30442998404	0.0037260739635	2.13611643304	0.104496608179	-0.248695168966	0.0474340152704	0.384708995079	-0.0606371965359	0.0988264079545	-0.165209039929	-0.286513138211	0.0130238149386	0.186763582131	-0.0034516041182	0.0466750082815	0.219173529052	0.0171616278824	0.154986114219	-20.6796492389	35.8385618577	-13.8299116534
17	2.68255348859	-0.0868011064632	-1.28591884622	1.40174800907	-0.350551239727	2.10126194921	-0.177366412672	0.822542737905	-0.158265443459	-0.30296918664	-0.131840637176	0.61206632873	0.126228075736	-1.08086720412	0.194948905109	0.228897910469	0.025560225015	-0.0646148738041	0.610348759661	-0.0633648946232	0.36691508808	-31.3117363588	28.3153774234	-36.8628595848
18	0.176607512739	-0.227290427778	-0.0493396696529	2.53736896859	0.55262475219	1.36978203892	-0.0296533835396	-0.134477722605	0.0449616508412	-0.00116941310282	0.0285697760869	0.20337894531	-0.249317296902	-0.144761284824	0.00210097638754	0.203789994048	0.054570161527	0.0103057530137	0.192767438754	-0.00967576535651	0.119640581643	-19.8078052861	37.009086918	-21.8101210702
19	2.82969399372	1.3486862491	-0.995364423487	1.89480925436	0.631064183825	1.50713210257	-0.164658132658	0.443558100755	0.463406859258	-0.288103940537	0.166466766876	0.332319733202	-0.557141673639	-0.669603880933	0.0210472677588	0.396675418586	0.128450480896	-0.0264607065914	0.369509364848	0.04030759785	0.280577001831	-27.9357161549	46.0650574369	-31.5294558505
20	1.20954087226	0.0323383897539	-0.103865967915	1.50319092368	0.698428525313	2.33458689915	-0.0483812075985	-0.0146442823443	0.327878245952	-0.0263278090008	0.124979905212	-0.189553755883	-0.690396557247	0.228687439152	-0.0976815919207	0.365660823919	-0.0370865948201	0.0360543620507	0.146135119943	-0.0238981399491	0.210271512895	-7.85586867625	47.7270815157	-21.404405062
21	3.28679110192	-1.06466249811	0.689901263057	2.21129938476	-0.448483286046	1.79933719106	-0.139211887975	-0.508089109839	0.571270700212	0.833160651201	0.256531220833	-0.195865523216	-0.805726623765	-0.10387477824	-0.0725802419009	0.588292499354	0.0276282041498	0.0497825288063	0.220182341335	-0.0539976295735	0.280975795983	-13.7143707855	49.9511476655	-5.87446037921
22	0.264111468598	0.214803543272	0.019785412802	0.459931654752	-0.489258235588	0.893097621565	-0.0814889133452	0.141618834473	0.320445356201	-0.285175612129	0.083968185165	0.307555334443	-0.434589210386	-0.422696435463	-0.0656677953135	0.736214519163	0.172787210106	0.0616523262346	0.226935334306	0.131974166905	0.403893704254	-20.7140967776	56.0333773283	-37.6289726415
23	0.653639889567	0.388027772373	-0.691642061622	1.34242549744	0.23812346538	1.47956432006	0.360924041737	0.915701777035	0.601298328704	-0.605798575342	-0.312514322211	-0.23725059917	-0.685461275455	0.269929877229	0.0322717352349	0.941109312293	-0.034873884898	0.156827280842	0.320692353619	0.208120625143	0.629711674553	-11.990098683	63.9364764935	-39.5243839743
24	2.19940013616	0.925560626823	0.162917461527	1.53309932779	-0.837804155832	2.15597738552	0.0760852218346	0.0639359985639	1.08475158624	0.0830955698312	0.0813881213804	0.385430599594	-0.849985649404	0.0731171433493	-0.0301028655289	0.926547737824	-0.153688554921	0.0838235708713	0.00235276255897	0.0289063437756	0.419228346736	-8.36401049751	59.1580624389	-28.1487467374
25	2.72158748467	0.105485809087	-0.181844846867	2.03401425424	0.329708384063	2.96710372592	0.18503309628	-0.607150363049	-0.919785421832	0.469743995282	-0.193567779561	-0.213700388426	0.54713297682	0.0924680583331	0.105267424162	0.533275531679	-0.0834746387522	-0.13934539723	0.301936415982	0.207599726766	0.448273504344	-29.2081234783	-17.0163736801	-6.47868045425
26	3.15335053218	1.71774757367	0.313423873467	2.41342645486	0.149161991504	1.06908367104	-0.352710146507	0.657923699724	-1.22635399564	-0.693081265512	0.0935566330662	-0.0632740541959	0.970236219006	-0.105606974963	-0.0905290924584	0.741195174687	-0.0730698493908	-0.0783568471769	-0.00737465982714	-0.258549110531	0.788698779575	-29.0172814242	-27.6165176983	-31.8059379248
27	1.34950065866	-0.431513273575	0.0648789203239	0.742070809976	-0.29154159855	1.41975542946	0.329661740561	-0.175470147284	-0.49574767274	0.120275370723	-0.244171824484	-0.0574227232367	0.690081566402	-0.245592367542	-0.0394426986784	0.394846017246	-0.105501407702	-0.0363471017158	0.203006725845	0.0509013844569	0.314532287108	-34.7228581252	-16.2283183105	-18.1115075678
28	1.13895213264	-0.133233078501	0.358717448247	2.36388553197	-0.271320204097	1.27164753855	0.191418292795	-0.447295194399	-0.107629266449	0.431189077151	-0.230628225366	-0.0720143522096	0.132616726026	-0.151907206402	0.0461577932342	0.189906125523	-0.0724036206652	0.00472130258882	0.279417476113	0.0173165941742	0.147264475798	-34.590883296	-0.290953460819	-12.1943133291
29	3.89678789516	-0.329856865421	1.32602258335	1.25157673041	0.676568442213	0.959012488971	-0.299313303234	-1.14997033333	-0.0640263397114	0.680930334948	0.0347855932479	0.064581878412	-0.0515770913375	-0.501090696472	0.0984646035237	0.741111252716	-0.21102179799	-0.117545941364	0.674984451424	0.206651962965	0.285738567678	-37.7843304103	-6.07591060371	3.30438800279
30	0.651949255826	-0.715238146885	0.712426210771	1.58730670571	-1.30118822808	4.0202847591	0.367214932756	-0.229969733748	-0.2210143844	-0.00504384403129	-0.226783892121	0.347738108483	0.371973094715	-0.455222780407	-0.0428657882658	0.170506524969	-0.108882838103	0.00746649194673	0.343194158896	0.00312200023937	0.278930701111	-49.391162429	-6.18128583702	-27.8613229264
31	0.730379488017	-0.0106072137967	-0.870338061714	3.57920837487	0.394651838469	1.0755108545	-0.364683633745	0.294643277816	0.0490518116617	-0.836585649897	-0.0935558406479	0.671719499437	-0.12980129634	-0.475896816959	0.43103248408	0.284069531558	0.0350633999844	-0.123118290907	0.466411638288	-0.0678107297285	0.485152686535	-53.4780939269	5.79168685427	-27.8000135101
32	0.78225486814	-0.217973977293	0.346767252721	3.14878499101	0.608309062663	0.855497054368	-0.0730437894856	-0.274280422431	0.0583883081262	0.269758463326	-0.231313120248	0.663089667847	0.0931318159895	-0.834388912957	0.161928361375	0.141289067352	-0.0357830438737	0.0625843688855	0.354551785152	-0.0615392567794	0.257687477201	-45.6389940297	4.61028093012	-17.9024180259

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 16 )	A	A	1 - 16	1 - 16
2	2	chain 'A' and (resid 17 through 81 )	A	A	17 - 81	17 - 81
3	3	chain 'A' and (resid 82 through 155 )	A	A	82 - 155	82 - 155
4	4	chain 'A' and (resid 156 through 216 )	A	A	156 - 216	156 - 216
5	5	chain 'A' and (resid 217 through 256 )	A	A	217 - 256	217 - 256
6	6	chain 'A' and (resid 257 through 273 )	A	A	257 - 273	257 - 273
7	7	chain 'B' and (resid 2 through 31 )	B	D	2 - 31	1 - 30
8	8	chain 'B' and (resid 32 through 54 )	B	D	32 - 54	31 - 53
9	9	chain 'B' and (resid 55 through 81 )	B	D	55 - 81	54 - 80
10	10	chain 'B' and (resid 82 through 147 )	B	D	82 - 147	81 - 146
11	11	chain 'B' and (resid 148 through 216 )	B	D	148 - 216	147 - 215
12	12	chain 'B' and (resid 217 through 239 )	B	D	217 - 239	216 - 238
13	13	chain 'B' and (resid 240 through 257 )	B	D	240 - 257	239 - 256
14	14	chain 'B' and (resid 258 through 273 )	B	D	258 - 273	257 - 272
15	15	chain 'C' and (resid 1 through 16 )	C	F	1 - 16	1 - 16
16	16	chain 'C' and (resid 17 through 54 )	C	F	17 - 54	17 - 54
17	17	chain 'C' and (resid 55 through 81 )	C	F	55 - 81	55 - 81
18	18	chain 'C' and (resid 82 through 119 )	C	F	82 - 119	82 - 119
19	19	chain 'C' and (resid 120 through 140 )	C	F	120 - 140	120 - 140
20	20	chain 'C' and (resid 141 through 196 )	C	F	141 - 196	141 - 196
21	21	chain 'C' and (resid 197 through 216 )	C	F	197 - 216	197 - 216
22	22	chain 'C' and (resid 217 through 239 )	C	F	217 - 239	217 - 239
23	23	chain 'C' and (resid 240 through 257 )	C	F	240 - 257	240 - 257
24	24	chain 'C' and (resid 258 through 273 )	C	F	258 - 273	258 - 273
25	25	chain 'D' and (resid 1 through 54 )	D	H	1 - 54	1 - 54
26	26	chain 'D' and (resid 55 through 81 )	D	H	55 - 81	55 - 81
27	27	chain 'D' and (resid 82 through 140 )	D	H	82 - 140	82 - 140
28	28	chain 'D' and (resid 141 through 196 )	D	H	141 - 196	141 - 196
29	29	chain 'D' and (resid 197 through 216 )	D	H	197 - 216	197 - 216
30	30	chain 'D' and (resid 217 through 239 )	D	H	217 - 239	217 - 239
31	31	chain 'D' and (resid 240 through 255 )	D	H	240 - 255	240 - 255
32	32	chain 'D' and (resid 256 through 273 )	D	H	256 - 273	256 - 273

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