PDB-8fiu: Potent long-acting inhibitors targeting HIV-1 capsid based on a v...

ID or keywords:

Entry

Database: PDB / ID: 8fiu

Title

Potent long-acting inhibitors targeting HIV-1 capsid based on a versatile quinazolin-4-one scaffold

Components

HIV-1 capsid

Keywords

ANTIVIRAL-PROTEIN/INHIBITOR / HIV-1 / Capsid / Ligand complex / ANTIVIRAL PROTEIN / ANTIVIRAL-PROTEIN-INHIBITOR complex

Function / homology

Function and homology information

viral process / viral nucleocapsid / host cell cytoplasm / host cell nucleus / structural molecule activity / virion membrane / RNA binding / zinc ion binding / ATP binding / cytoplasm
Similarity search - Function

Biological species

Human immunodeficiency virus 1

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.56 Å

Authors

Nolte, R.T.

Funding support

1items

Citation

Journal: J.Med.Chem. / Year: 2023
Title: Potent Long-Acting Inhibitors Targeting the HIV-1 Capsid Based on a Versatile Quinazolin-4-one Scaffold.
Authors: Gillis, E.P. / Parcella, K. / Bowsher, M. / Cook, J.H. / Iwuagwu, C. / Naidu, B.N. / Patel, M. / Peese, K. / Huang, H. / Valera, L. / Wang, C. / Kieltyka, K. / Parker, D.D. / Simmermacher, J. ...

History

Deposition	Dec 16, 2022	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Feb 15, 2023	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8fiu.cif.gz	488 KB	Display	PDBx/mmCIF format
PDB format	pdb8fiu.ent.gz	339.5 KB	Display	PDB format
PDBx/mmJSON format	8fiu.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	8fiu_validation.pdf.gz	1.4 MB	Display	wwPDB validaton report
Full document	8fiu_full_validation.pdf.gz	1.4 MB	Display
Data in XML	8fiu_validation.xml.gz	36.8 KB	Display
Data in CIF	8fiu_validation.cif.gz	55.3 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/fi/8fiu ftp://data.pdbj.org/pub/pdb/validation_reports/fi/8fiu	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	#163 - Jul 2013 HIV Capsid similarity (2)

Deposited unit

A: HIV-1 capsid

B: HIV-1 capsid

C: HIV-1 capsid

hetero molecules

80 kDa, 3 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: HIV-1 capsid

B: HIV-1 capsid

hetero molecules

A: HIV-1 capsid

B: HIV-1 capsid

hetero molecules

A: HIV-1 capsid

B: HIV-1 capsid

hetero molecules

defined by author&software
160 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

C: HIV-1 capsid

hetero molecules

x 6

defined by author&software
160 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1
crystal symmetry operation	2_645	-y+1,x-y-1,z	1
crystal symmetry operation	3_765	-x+y+2,-x+1,z	1
crystal symmetry operation	4_755	-x+2,-y,z	1
crystal symmetry operation	5_665	y+1,-x+y+1,z	1
crystal symmetry operation	6_545	x-y,x-1,z	1

Unit cell

Length a, b, c (Å)	156.197, 156.197, 56.224
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	168
Space group name H-M	P6
Space group name Hall	P6
Symmetry operation	#1: x,y,z #2: x-y,x,z #3: y,-x+y,z #4: -y,x-y,z #5: -x+y,-x,z #6: -x,-y,z

Components on special symmetry positions

ID	Model	Components
1	1	B-583- HOH

#1: Protein	HIV-1 capsid Mass: 25592.469 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Human immunodeficiency virus 1 / Gene: gag / Production host: Escherichia coli (E. coli) / References: UniProt: B6DRA0
#2: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C₂H₆O₂
#3: Chemical	ChemComp-Y05 / N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide Mass: 918.306 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C₄₁H₃₈ClF₆N₉O₅S / Feature type: SUBJECT OF INVESTIGATION
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 861 / Source method: isolated from a natural source / Formula: H₂O
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: 2.58 Å³/Da / Density % sol: 52.3 %
Crystal grow	Temperature: 294 K / Method: vapor diffusion, sitting drop / pH: 9 / Details: 100 mM bicine, pH 9.0 and 14% (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: 22-ID / Wavelength: 1 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jul 18, 2018
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 1.56→35.18 Å / Num. obs: 111350 / % possible obs: 87.51 % / Redundancy: 14.1 % / B_iso Wilson estimate: 25.68 Å² / CC_1/2: 0.998 / CC star: 0.999 / R_merge(I) obs: 0.09385 / R_pim(I) all: 0.0258 / Net I/σ(I): 13.23
Reflection shell	Resolution: 1.561→1.616 Å / Redundancy: 14.5 % / Num. unique obs: 2499 / CC_1/2: 0.51 / R_pim(I) all: 0.6367 / % possible all: 22.59

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Processing

Software

Name	Version	Classification
PHENIX	1.20.1_4487	refinement
PHENIX	1.20.1_4487	refinement
autoPROC		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.56→35.18 Å / SU ML: 0.1679 / Cross valid method: FREE R-VALUE / σ(F): 0.01 / Phase error: 23.3239
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.1942	1866	1.91 %
R_work	0.1608	95604	-
obs	0.1615	97470	87.52 %

Solvent computation

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

Displacement parameters

B_iso mean: 37.02 Å²

Refinement step

Cycle: LAST / Resolution: 1.56→35.18 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	5010	0	217	861	6088

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0167	5428
X-RAY DIFFRACTION	f_angle_d	1.4049	7435
X-RAY DIFFRACTION	f_chiral_restr	0.0676	823
X-RAY DIFFRACTION	f_plane_restr	0.0122	941
X-RAY DIFFRACTION	f_dihedral_angle_d	13.9988	2033

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 (%)
1.56-1.6	0.2483	30	0.2275	1301	X-RAY DIFFRACTION
1.6-1.65	0.2902	115	0.2187	5141	X-RAY DIFFRACTION	61.69
1.65-1.7	0.2434	122	0.2132	7137	X-RAY DIFFRACTION	85.04
1.7-1.76	0.2469	148	0.2253	7490	X-RAY DIFFRACTION	89.77
1.76-1.83	0.258	157	0.2032	7833	X-RAY DIFFRACTION	94.01
1.83-1.92	0.2086	147	0.1821	8021	X-RAY DIFFRACTION	95.53
1.92-2.02	0.2035	168	0.1689	8202	X-RAY DIFFRACTION	97.86
2.02-2.15	0.1807	164	0.1676	8263	X-RAY DIFFRACTION	98.76
2.15-2.31	0.1903	166	0.1492	8302	X-RAY DIFFRACTION	99.12
2.31-2.54	0.173	151	0.1561	8404	X-RAY DIFFRACTION	99.7
2.54-2.91	0.198	149	0.156	8443	X-RAY DIFFRACTION	99.71
2.91-3.67	0.1882	162	0.1551	8438	X-RAY DIFFRACTION	99.94
3.67-35.18	0.1885	187	0.152	8629	X-RAY DIFFRACTION	99.86

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	2.72486199956	0.692002502042	-0.299645673009	2.06433356044	1.05729079547	1.73016783986	-0.0359021105008	-0.457563621797	0.0759924494024	0.953156017589	-0.305239574864	-0.816733464814	-0.568466220781	0.737526903473	0.303958334027	0.406091762868	-0.0607819575527	-0.157950408546	0.386832585476	-0.00181873545828	0.400914794074	69.9970112016	35.5052975546	18.640614678
2	0.947553527878	-1.19768856973	-1.18131997779	3.73626979664	2.66288209178	5.75809373021	0.0339188667913	-0.170558964865	0.122962980212	-0.0827880844787	0.147970883577	-0.0747845712729	-0.331933061132	0.33582377286	-0.290559175603	0.218482553642	-0.045030977477	0.00173784602064	0.284336714062	0.00755167346477	0.378484955435	71.0677810701	33.4171002375	-3.2478622975
3	0.953454414713	0.272984268953	-0.488907249624	0.525021668054	-0.128973037514	0.25896064874	-0.0134291121659	-0.0169858286138	0.0733730861402	-0.0313339696583	0.041555956993	-0.0592055211505	0.0676872077553	0.0547374487359	-0.0361079048115	0.219725026389	-0.010504967154	-0.00683989693837	0.238935421836	-0.0108810664377	0.29772235708	68.1324118447	26.8787979454	1.37625365503
4	1.53140415827	0.446602158752	-0.656935372946	1.0067161979	-0.957147254585	4.47398490181	-0.163554034768	-0.00050125973866	-0.288459541828	-0.0631942078975	-0.123122382346	-0.173664463257	0.692980817912	0.119606615521	0.142337558845	0.301775218781	-0.0397285600867	0.0341695725328	0.223353697308	-0.0147774485899	0.314438399471	58.2340371105	14.8305649592	3.76794389012
5	0.764391970173	0.0268959521336	-0.486190149605	2.43006476226	0.235328560033	1.51894667712	-0.0304474890201	-0.566492818098	-0.066891481347	0.733788474188	-0.0128171522736	0.346147751016	0.331042474691	-0.13988592966	0.0494233653698	0.401166794001	-0.0386207338842	0.0604456617656	0.374293042968	-0.00466302257621	0.295735277591	56.2693699884	21.9823444667	20.5596004372
6	3.33742121499	-0.827612434863	-2.89300690147	1.23352055661	1.20604056687	4.65244636624	-0.131882489159	0.267972499869	-0.410211031572	0.0429367560631	-0.116406793803	-0.0592631199393	0.396045552686	-0.134857264302	0.194560294332	0.227745442032	-0.00685635103791	0.0413911792448	0.227611904967	-0.0310918765785	0.309063859521	66.5531309706	17.2532733161	1.79051680895
7	4.51253805087	-0.26891105633	-1.41035645285	1.17541424738	0.29200493035	3.19105414707	0.261940055432	0.42221385404	0.116778473536	-0.167439035793	-0.239913204174	0.300149899955	-0.096803656703	-0.262168724251	0.091105374495	0.399909399171	-0.00870196383428	0.0528500299952	0.359119321266	-0.0260577862153	0.313479337381	82.3054029774	10.1157169049	-19.3776978377
8	2.65347581348	-0.170518093571	-1.50304100914	1.67998986771	0.534435480837	4.21771248387	-0.105921036132	0.142399493908	0.0218634828524	-0.113563931237	-0.147329517363	0.1819410491	0.0501667508229	-0.0505719731875	0.255949355125	0.292402701898	-0.00786512747623	0.0195380454952	0.231298892132	-0.00815133717298	0.275754300282	85.1828771421	13.7043746589	-12.8128921098
9	7.67791731845	-3.56068788233	-0.934391000221	3.9014988902	0.317483759532	0.15526860428	0.0906045837567	-1.42618083694	-0.0161524909444	-0.0151153848561	0.105451033109	0.147749351906	0.0456671607474	0.316710277732	-0.162461585641	0.458881832053	-0.06017686839	0.0106944717598	0.463447467849	0.00530293319242	0.363273585058	80.6413183019	4.67069880983	-5.03555110286
10	3.40107237924	-0.554421717718	-0.147790518752	2.88556762971	0.416980330309	4.33836160709	0.160437901056	0.630239070828	-0.929013752014	0.308414524412	0.227091634726	-0.557500041898	1.46869926518	1.15581665789	-0.155046176627	0.567333884924	0.146981705491	0.0404259979415	0.512924830099	-0.128202844369	0.392993144893	94.1600986944	3.2170473309	-18.1710606075
11	7.08046472376	-1.51593855063	2.68739224263	5.54294481384	2.83055194459	3.29587903555	-0.27676711123	0.159703733028	0.614134110595	0.761141793947	0.199302426512	-0.511331644853	0.732465045726	1.42538293155	0.0477851280024	0.461096525146	0.165540635206	0.0720676083531	0.436977638087	0.0072357136747	0.371669184748	98.1393273232	8.95180509927	-10.323331106
12	3.03401821766	-0.691071010541	-0.170585841372	2.94715019404	-1.49232771448	0.824976501324	-0.55005370725	-0.94049270207	0.663890819307	0.751272556091	0.0692529629371	-0.0883235006736	-1.11255062211	-0.467160535639	0.338652676881	0.387613660947	0.0228561395398	-0.0596909329133	0.38248735569	-0.123029555555	0.393628714761	82.5477744366	33.3990796623	17.9656091683
13	4.22877365697	-0.854722747656	-2.69178861036	0.92421234954	1.07906469592	5.09673822163	0.164517004465	-0.169666920056	0.336295945367	0.0959084088737	-0.0601227081793	0.0871351697409	-0.434994096792	-0.112795665651	-0.125379285296	0.231792398899	0.00481142530024	0.00824456112472	0.214443871363	0.00828817367947	0.352589916935	84.5869934332	33.0465271157	-3.21589730762
14	0.893572807826	0.240286957657	-0.354970589325	1.30309070293	0.103066395568	1.97073871124	-0.029922961038	-0.0963506185246	-0.0384364002564	0.0196858037064	-0.0264343566585	-0.0206502607104	0.205146310465	0.146560916553	0.0656844309931	0.193916152661	0.0307546219291	0.0162953520192	0.207913358876	0.0065250497735	0.257803872227	91.1311341498	20.7518599618	2.63703487787
15	1.98511246989	-0.742296084678	-0.930896343212	0.604178408821	-0.284125729071	2.56340700764	-0.09194677602	-0.395663355414	-0.0923220273568	0.373281290151	0.0115624666248	0.120000563759	0.274871956045	0.205264424339	0.108984745763	0.399146828376	0.0280462312625	0.0331179496635	0.358118907318	0.0468255798355	0.268749530286	86.8211875191	15.0789939111	20.739357684
16	2.23104038271	1.6461962108	-2.50880074225	2.19893951332	-1.98003778187	6.0480529821	-0.147228221993	-0.0311751517686	-0.0255526229839	-0.16528236073	0.0130952069657	-0.24757732855	0.431392578946	0.252112152619	0.0496251549922	0.194669347853	0.0406722881991	0.0174994835107	0.214133093049	0.0296065154061	0.284676839134	96.3529044877	21.0789431277	2.33447219245
17	3.24927344525	0.744195118322	-1.54010060909	1.89447575572	1.04314677799	3.5556820072	-0.261816999075	0.261214291522	-0.354072106244	-0.403977654417	0.158249870503	0.093564701368	-0.0408941076953	-0.576698453103	0.169622416197	0.311103422302	0.0296868293433	0.0373513251553	0.31057500861	0.0178284150819	0.25474047578	110.519501737	30.9223104832	-19.3236747483
18	2.80703681125	0.357488856491	-1.3460939973	2.39639925957	-0.170038369067	3.85367679354	0.0302804563089	0.176701919721	-0.0561825117577	-0.214398328007	-0.195699784706	0.102695734821	-0.0809792621926	-0.0836320938224	0.149488498359	0.220458592846	0.0562352690164	-0.00563785612274	0.278911926471	0.000315083880979	0.246313140272	108.599179918	34.8359400483	-12.6359552415
19	3.67418747361	1.48612142996	-1.12512240171	1.92052459577	1.15721614553	2.15213233379	0.0422869840171	-0.621484834168	-0.649949430626	0.568141918883	0.212010879174	-0.0717033085938	0.170497486422	-0.229218879256	-0.511955826062	0.329996831549	0.0865587311838	0.0189332658075	0.36269343276	0.110698277118	0.312335237679	116.345694373	30.2473538722	-11.3630533163
20	5.71739747349	1.58654277302	0.0241676369352	7.10192853408	2.41102758172	4.92638425373	0.134726976282	0.699085353649	0.08681832044	-0.511580963732	0.281456712953	-1.49333738784	0.0368997379552	0.682818508839	-0.349958763904	0.373613093087	-0.0451059237579	0.122288871432	0.41607336157	-0.0568231988557	0.46296409043	124.02861792	40.1096944951	-18.807034971
21	5.73486240245	2.40092862009	-2.17865739316	4.17434343929	1.50066991427	7.91513680944	0.187595511833	-0.748180445019	0.266767024672	-0.103748578812	-0.0580031247277	-0.0707725274154	-0.408080384947	0.0806549490921	-0.207293568764	0.274615351934	-0.0115746911213	0.057636247607	0.297654717637	0.0590023846178	0.326921549014	119.3497076	44.3700519059	-10.7476229385
22	1.93716362028	0.789042120445	0.38916566754	1.17822108594	0.846953028471	1.71088475904	0.0485198076949	-0.160270501276	-0.216421798199	0.0615736066597	-0.0088300851176	-0.132597297849	0.058149057082	0.0589817855249	-0.0599574461397	0.201284863013	0.0171770877579	-0.00524014738517	0.173300376561	0.0503620823864	0.2305856341	142.606441527	7.38909913812	-24.5308630483
23	1.23953384272	-0.5190856484	-0.178403254218	1.29527335365	0.214537733989	1.39638031812	0.00974451873407	-0.0171365045855	-0.0368026811555	0.0276042941285	-0.0441850247541	0.0492658870227	-0.138253521084	-0.224043931765	0.0548895506277	0.193030673087	0.0274426867196	-0.000180181215172	0.214877308159	0.0126288158446	0.193672142758	132.038773914	19.4938328234	-26.9658046013
24	1.49318328892	0.0049219020707	0.672389294555	0.210597952008	-0.592921181299	1.35112885406	-0.218821259053	-0.64857631904	0.290613425914	0.235597335485	0.00299835742504	-0.0166219375994	-1.00550415319	-0.690784178021	0.256721628031	0.446943984824	0.120112151562	-0.0445633903664	0.439666587539	-0.0775288074562	0.237280791823	130.905830743	26.3197428181	-7.6017812329
25	3.29320121635	-0.0773037747128	0.829841431843	4.22031626859	-0.297775240616	3.45993157375	-0.022510856208	-0.527990629841	-0.0669593589865	0.486824729335	0.101988885669	-0.153477623838	0.111573206866	-0.1663238811	-0.0818053910354	0.267299685195	0.0109266916748	-0.00389388816961	0.299410473663	0.00503024666804	0.195065083854	137.932309637	18.6012445453	-10.2738479101
26	0.907497343427	0.566079537468	0.905535838197	3.73534790675	3.17569852153	5.92739429454	-0.0205317470818	-0.0180954336065	-0.0093900748094	-0.310683549906	-0.185782571693	0.219178188515	-0.164220924792	-0.383484896232	0.109036687618	0.17576945194	0.0157321445812	-0.00890767366351	0.21166042531	0.00312203602157	0.222715946388	128.803221601	12.6245928096	-27.7092862859
27	1.63399820537	0.745376616491	1.01950348082	3.11113177111	1.07635442788	3.87110776688	-0.13296418555	0.352972320563	0.278934319996	-0.361911761408	-0.000379830243334	0.0972828151057	-0.388709656301	-0.0677029400332	0.109308266042	0.240457063641	0.00511368419728	-0.0389916565736	0.311800866952	0.0450202076031	0.201999874683	122.940169491	-4.39751080533	-45.6420311572
28	1.09542761058	-0.322460186081	-0.544230906516	2.40001242782	-1.29288202807	1.13960855968	0.376239077543	-0.678827728862	0.752109480898	1.90390123346	-0.308094582534	0.906031946577	-0.150738339871	-1.00624597668	-0.215473032787	0.72036651475	-0.0335463987546	0.0869452939711	0.565975849956	-0.109671535996	0.400248800289	115.5023963	-2.50185063136	-37.0610813425
29	1.6084240521	0.437918214944	0.407167367298	5.56648342641	-3.97385748783	3.55464636027	-0.0485428887693	0.184357603026	-0.507564338055	-0.609844181569	0.614351344524	0.962121346182	0.882116975073	-0.723991148612	-0.378337141531	0.334434030475	-0.114333477743	-0.128907335689	0.530014159655	0.0134163467885	0.335258376103	114.098618411	-15.4324517155	-48.8838841132
30	2.24207151248	0.807941053295	1.17608640732	3.50294475843	-0.0515121013819	4.5447196294	0.0621780539384	-0.404349849063	-0.212429994594	0.109356252408	-0.23325833706	0.227470755769	0.379011382879	-0.621118009673	0.111155540557	0.310246949404	-0.0646931704224	-0.0195647646308	0.345930480094	-0.0312168253541	0.266416309974	119.549096795	-18.6417755245	-40.2824740114

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 30 )	A	A	17 - 30	17 - 30
3	3	chain 'A' and (resid 31 through 62 )	A	A	31 - 62	31 - 62
4	4	chain 'A' and (resid 63 through 83 )	A	A	63 - 83	63 - 83
5	5	chain 'A' and (resid 84 through 125 )	A	A	84 - 125	84 - 125
6	6	chain 'A' and (resid 126 through 145 )	A	A	126 - 145	126 - 145
7	7	chain 'A' and (resid 146 through 160 )	A	A	146 - 160	146 - 160
8	8	chain 'A' and (resid 161 through 174 )	A	A	161 - 174	161 - 174
9	9	chain 'A' and (resid 175 through 189 )	A	A	175 - 189	175 - 189
10	10	chain 'A' and (resid 190 through 205 )	A	A	190 - 205	190 - 205
11	11	chain 'A' and (resid 206 through 219 )	A	A	206 - 219	206 - 219
12	12	chain 'B' and (resid 1 through 16 )	B	B	1 - 16	1 - 16
13	13	chain 'B' and (resid 17 through 30 )	B	B	17 - 30	17 - 30
14	14	chain 'B' and (resid 31 through 83 )	B	B	31 - 83	31 - 83
15	15	chain 'B' and (resid 84 through 125 )	B	B	84 - 125	84 - 125
16	16	chain 'B' and (resid 126 through 145 )	B	B	126 - 145	126 - 145
17	17	chain 'B' and (resid 146 through 160 )	B	B	146 - 160	146 - 160
18	18	chain 'B' and (resid 161 through 175 )	B	B	161 - 175	161 - 175
19	19	chain 'B' and (resid 176 through 195 )	B	B	176 - 195	176 - 190
20	20	chain 'B' and (resid 196 through 205 )	B	B	196 - 205	191 - 200
21	21	chain 'B' and (resid 206 through 219 )	B	B	206 - 219	201 - 214
22	22	chain 'C' and (resid 1 through 48 )	C	C	1 - 48	1 - 48
23	23	chain 'C' and (resid 49 through 83 )	C	C	49 - 83	49 - 83
24	24	chain 'C' and (resid 84 through 104 )	C	C	84 - 104	84 - 104
25	25	chain 'C' and (resid 105 through 125 )	C	C	105 - 125	105 - 125
26	26	chain 'C' and (resid 126 through 145 )	C	C	126 - 145	126 - 145
27	27	chain 'C' and (resid 146 through 174 )	C	C	146 - 174	146 - 174
28	28	chain 'C' and (resid 175 through 192 )	C	C	175 - 192	175 - 192
29	29	chain 'C' and (resid 193 through 205 )	C	C	193 - 205	193 - 205
30	30	chain 'C' and (resid 206 through 219 )	C	C	206 - 219	206 - 219

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