PDB-8cbv: HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Co...

ID or keywords:

Entry

Database: PDB / ID: 8cbv

Title

HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT916

Components

Integrase

Keywords

VIRAL PROTEIN /

Integrase /

HIV / ALLINI / Allosteric Inhibitor / Inhibitor /

Retrovirus / INLAI / NCINI /

MINI / LEDGIN / Mutabilis / MUT916

Function / homology

Function and homology information

HIV-1 retropepsin /

: /

retroviral ribonuclease H /

exoribonuclease H /

: /

exoribonuclease H activity / host multivesicular body / DNA integration /

RNA-directed DNA polymerase / viral genome integration into host DNA ...
Similarity search - Function

Reverse transcriptase connection / Reverse transcriptase connection domain / Reverse transcriptase thumb / Reverse transcriptase thumb domain / Integrase Zinc binding domain / Zinc finger integrase-type profile. / Integrase-like, N-terminal / Integrase DNA binding domain /

Integrase, C-terminal domain superfamily, retroviral /

Integrase, N-terminal zinc-binding domain ...
Similarity search - Domain/homology

Biological species

Human immunodeficiency virus 1

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.82 Å

Authors

Singer, M.R. / Pye, V.E. / Yu, Z. / Cherepanov, P.

Funding support

United Kingdom, 4items

Organization	Grant number	Country
Cancer Research UK	FC001061	United Kingdom
Medical Research Council (MRC, United Kingdom)	FC001061	United Kingdom
Wellcome Trust	FC001061	United Kingdom
The Francis Crick Institute	FC001061	United Kingdom

Citation

Journal: Antimicrob.Agents Chemother. / Year: 2023
Title: Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Authors: Bonnard, D. / Le Rouzic, E. / Singer, M.R. / Yu, Z. / Le Strat, F. / Batisse, C. / Batisse, J. / Amadori, C. / Chasset, S. / Pye, V.E. / Emiliani, S. / Ledoussal, B. / Ruff, M. / Moreau, F. ...

History

Deposition	Jan 25, 2023	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Jun 7, 2023	Provider: repository / Type: Initial release
Revision 1.1	Jun 14, 2023	Group: Structure summary / Category: struct / struct_keywords / Item: _struct.title / _struct_keywords.text
Revision 1.2	Jun 21, 2023	Group: Database references / Category: citation / citation_author Item: _citation.page_first / _citation.page_last ..._citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.3	Jul 26, 2023	Group: Database references / Category: citation / Item: _citation.journal_volume

Structure viewer	Molecule: MolmilJmol/JSmol

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/cb/8cbv ftp://data.pdbj.org/pub/pdb/validation_reports/cb/8cbv	HTTPS FTP

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Related structure data

Related structure data	8bv2C 8cbrC 8cbsC 8cbtC 8cbuC 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	#163 - Jul 2013 HIV Capsid similarity (3) #135 - Mar 2011 Integrase similarity (1)

Deposited unit

A: Integrase

B: Integrase

C: Integrase

D: Integrase

hetero molecules

105 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)	53.275, 65.083, 70.588
Angle α, β, γ (deg.)	90.000, 101.641, 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

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Protein , 1 types, 4 molecules ABCD

#1: Protein	Integrase / / IN Mass: 25904.537 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Details: The construct is of HIV-1 integrase with the following domain swap: The C-Terminal Domain of HIV-1 integrase (from residues 220 to 288) is followed by the Catalytic Core Domain of HIV-1 ...Details: The construct is of HIV-1 integrase with the following domain swap: The C-Terminal Domain of HIV-1 integrase (from residues 220 to 288) is followed by the Catalytic Core Domain of HIV-1 integrase (from residues 50 to 212). In addition, there are the following mutations: F185K and W243E. The residue numbers are correct in the structure. Because the linker is not defined in the electron density map, we do not know for sure which CTD is linked to which CCD in the lattice formation. We have therefore kept each domain as a separate chain. There are 2 copies of CTD and CCD in the asymmetric unit. We cannot determine how they are connected in the crystal lattice.,The construct is of HIV-1 integrase with the following domain swap: The C-Terminal Domain of HIV-1 integrase (from residues 220 to 288) is followed by the Catalytic Core Domain of HIV-1 integrase (from residues 50 to 212). In addition, there are the following mutations: F185K and W243E. The residue numbers are correct in the structure. Because the linker is not defined in the electron density map, we do not know for sure which CTD is linked to which CCD in the lattice formation. We have therefore kept each domain as a separate chain. There are 2 copies of CTD and CCD in the asymmetric unit. We cannot determine how they are connected in the crystal lattice. Source: (gene. exp.) Human immunodeficiency virus 1 / Gene: gag-pol / Production host: Escherichia coli BL21(DE3) (bacteria) References: UniProt: P12497, Transferases; Transferring phosphorus-containing groups; Nucleotidyltransferases, Hydrolases; Acting on ester bonds

#1: Protein

Integrase /

/ IN

Mass: 25904.537 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Details: The construct is of HIV-1 integrase with the following domain swap: The C-Terminal Domain of HIV-1 integrase (from residues 220 to 288) is followed by the Catalytic Core Domain of HIV-1 ...
Source: (gene. exp.)

Human immunodeficiency virus 1 / Gene: gag-pol / Production host:

Escherichia coli BL21(DE3) (bacteria)
References: UniProt: P12497,

Transferases; Transferring phosphorus-containing groups; Nucleotidyltransferases,

Hydrolases; Acting on ester bonds

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Non-polymers , 6 types, 209 molecules

#2: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol Mass: 62.068 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C₂H₆O₂
#3: Chemical	ChemComp-PEG / DI(HYDROXYETHYL)ETHER / Diethylene glycol Mass: 106.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₄H₁₀O₃
#4: Chemical	ChemComp-U5S / (2~{S})-2-[3-cyclopropyl-2-(8-fluoranyl-5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid Mass: 410.478 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₂₅H₂₇FO₄ / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
#6: Chemical	ChemComp-CL / CHLORIDE ION / Chloride Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#7: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 193 / 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 grow	Temperature: 294 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: PEG 8000, ethylene glycol, magnesium chloride, calcium chloride, imidazole, MES

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.9795 Å
Detector	Type: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: May 20, 2022
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.9795 Å / Relative weight: 1
Reflection	Resolution: 1.82→65.08 Å / Num. obs: 42542 / % possible obs: 100 % / Redundancy: 46.32 % / B_iso Wilson estimate: 39.33 Å² / CC_1/2: 0.999 / R_pim(I) all: 0.023 / Net I/σ(I): 19.9
Reflection shell	Resolution: 1.82→1.85 Å / Redundancy: 43 % / Mean I/σ(I) obs: 0.6 / Num. unique obs: 2137 / CC_1/2: 0.939 / R_pim(I) all: 0.303 / % possible all: 100

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Processing

Software

Name	Version	Classification
PHENIX	dev_4840	refinement
DIALS		data reduction
DIALS		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.82→38.11 Å / SU ML: 0.2221 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 22.7993
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2297	2093	4.93 %
R_work	0.1865	40383	-
obs	0.1886	42476	99.9 %

Solvent computation

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

Displacement parameters

B_iso mean: 48.51 Å²

Refinement step

Cycle: LAST / Resolution: 1.82→38.11 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	3055	0	110	193	3358

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0061	3295
X-RAY DIFFRACTION	f_angle_d	0.8346	4445
X-RAY DIFFRACTION	f_chiral_restr	0.0539	491
X-RAY DIFFRACTION	f_plane_restr	0.0056	550
X-RAY DIFFRACTION	f_dihedral_angle_d	13.5404	1209

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 (%)
1.82-1.86	0.3282	150	0.3061	2646	X-RAY DIFFRACTION	98.83
1.86-1.91	0.298	117	0.2796	2722	X-RAY DIFFRACTION	100
1.91-1.96	0.325	149	0.2662	2652	X-RAY DIFFRACTION	99.96
1.96-2.02	0.2561	144	0.2297	2656	X-RAY DIFFRACTION	100
2.02-2.08	0.2345	153	0.203	2664	X-RAY DIFFRACTION	100
2.08-2.16	0.2241	148	0.1772	2683	X-RAY DIFFRACTION	99.93
2.16-2.24	0.2273	140	0.1773	2689	X-RAY DIFFRACTION	99.96
2.24-2.35	0.2106	123	0.1853	2700	X-RAY DIFFRACTION	100
2.35-2.47	0.2265	125	0.188	2683	X-RAY DIFFRACTION	100
2.47-2.62	0.2198	136	0.1898	2712	X-RAY DIFFRACTION	100
2.62-2.83	0.2282	155	0.1868	2682	X-RAY DIFFRACTION	100
2.83-3.11	0.2091	142	0.184	2707	X-RAY DIFFRACTION	100
3.11-3.56	0.2109	126	0.183	2703	X-RAY DIFFRACTION	100
3.56-4.49	0.2261	135	0.1645	2720	X-RAY DIFFRACTION	100
4.49-38.11	0.2402	150	0.1891	2764	X-RAY DIFFRACTION	99.79

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	0.287052746862	-0.0470862084345	0.397703842432	0.866513156742	-0.51911359654	0.602503883019	-0.188818109306	0.885085440508	0.395973354526	0.266324078188	-0.111421156128	-0.0232979175069	0.0659512105904	-0.939791218435	-4.69272697438E-5	0.473634914291	-0.0237829104184	-0.023295332699	0.63325586642	-0.0369989444979	0.437427927872	39.3761351702	-25.0059157969	29.3382157219
2	2.13375448079	0.232564325226	0.925580332135	0.034524101037	0.186588676093	0.403216354822	-0.105397504851	-1.63914489196	0.856049400897	0.0728150258056	-0.596244468882	0.11042684432	-0.953540388799	-1.27594198725	-0.122357593562	0.75405060089	0.173440746426	-0.0452662581082	0.645382883718	-0.164037192865	0.488333027195	42.9620232784	-14.4245675701	35.9871330828
3	0.685134856814	-0.773498113046	1.06197209483	0.406358462527	-0.907400332967	0.715155522496	-0.276311600797	-0.290222152971	0.0579878959148	0.378146573641	0.0103394796747	-0.0332764965575	0.0216557568083	-0.776104595005	-0.000586281745718	0.470508338649	-0.0207829784308	0.0024386436643	0.750077542886	-0.0187203149463	0.348463275094	40.2600896439	-20.1400520946	33.1648391602
4	0.422304246268	0.630509073357	0.310791290225	0.840973313671	-0.169818705507	0.531470244839	0.0888777339898	-0.0303092313074	0.156296890341	-0.227854376581	-0.144491833238	0.211238343884	-0.437458112258	-0.0472279741795	0.000697114608515	0.36602271397	0.0666353440814	-0.0289135063152	0.331293816351	-0.0601281512133	0.500726853122	14.8760939921	-5.45359248118	9.63115044068
5	0.481302171518	-0.296589345672	-0.144132185764	0.4800529293	-0.686200343408	0.779368510729	-0.0164242735658	-0.174562602656	-0.107947649789	-0.0582237945755	-0.0663305308245	0.0489100039846	-0.120107312255	0.0617464691124	-0.00013483889525	0.315529155014	-0.000638754276042	0.0175923585067	0.303910684482	-0.00666961374834	0.355744758091	21.4385002153	-9.26966777544	10.8025946637
6	0.350358854338	-0.0665139636001	0.257060668587	1.44281616396	-0.128848309251	0.341547247616	-0.164204318338	0.0800233001038	-0.466446565855	-0.215094857216	-0.0754776153386	-0.402485686803	0.0599559771722	0.164732541994	-9.53324505595E-5	0.348549239751	0.0168135144831	-0.0362895543958	0.291547350151	0.0038332336423	0.363040049706	17.4689755539	-16.2501407836	4.31376969557
7	0.24553162999	0.248744917133	0.173774875976	0.0822832344911	0.0432276392331	0.211528453135	0.0984107785614	0.207376426119	0.553582598487	0.321752541186	-0.12353571376	0.710957193209	-0.701973220107	-0.398075541343	0.00163514934649	0.369397924371	0.0592971335254	-0.0219215069167	0.441953395627	-0.00817391850426	0.557507154289	7.5755564641	-10.497268199	7.98449096262
8	0.835795618062	-0.344617492902	0.185718281392	0.443199219177	-0.0398292335036	0.943533883967	-0.181389309358	0.250872058106	0.332279556966	-0.67276021889	0.124548754011	0.190464978682	-0.324757049049	-0.308754937134	-0.000644650780994	0.425093644142	0.0577820533632	-0.0601358185349	0.335202559678	0.0160454907494	0.419643735317	14.7306333359	-9.55074910674	-2.99178918614
9	0.980134683065	0.706733481792	-0.717865309309	1.33038420398	-1.03033881019	1.04652197393	-0.356762061007	1.21802435474	0.501807028994	-0.926844901112	0.371031915239	0.171732142864	-0.159823935939	-0.652483138489	0.0673396097295	0.341428240079	0.191520605075	-0.0121802616895	0.248789286786	0.090603748775	0.55414789125	9.03492550784	-3.210032125	3.25956897736
10	2.26578700443	0.733701626809	0.11141551205	1.07521103112	-0.192008045079	3.08254691076	-0.0238134647658	-0.0878987058762	0.347378296706	0.0434661019938	-0.0388808826765	-0.0936326568433	-0.478329214644	0.281098969313	-9.10422653047E-5	0.367220814664	-0.0333197329743	-0.00931177010533	0.359387914197	-0.0227627709593	0.356021114938	25.9732937448	-8.17604017629	19.8847051039
11	0.291840405532	-0.29241909363	0.24521851222	0.944324047269	-0.273714046765	0.0815950249968	0.490949986023	-0.40339420164	0.0373320512718	0.632955267212	0.0605457991536	0.44448695704	-0.0240229515079	-0.60469207996	0.000505035108237	0.421320415641	-0.0144388975618	0.124254584138	0.530054829543	-0.0504764178696	0.43924363627	6.67961498537	-10.9886692637	23.93046427
12	0.135685664382	0.209163335056	-0.018501461992	0.00193486752426	-0.081720018448	0.340801835054	-0.112081381248	0.33672789405	0.546018651453	-0.111623115566	0.275791552479	1.04076474541	-0.556552254153	-0.665939293278	-0.00199834913103	0.47425674699	-0.0334895751634	-0.109968100404	0.812433735022	0.0521170958047	0.499790811429	6.95686240755	-16.8817729511	-12.3838142791
13	0.214143126116	0.136957149158	0.0532846127827	0.182621693981	-0.174799613834	0.231047617591	0.0598454493922	0.88574477288	-0.00410077910157	-1.0566014046	-0.273685503311	-0.334572532497	-1.44349416723	1.14602583865	0.00120970622908	0.705850860373	-0.222753906989	0.0311910928066	0.914875936753	-0.0282018047017	0.537690298014	19.1264875183	-13.3879958591	-15.5582808729
14	1.44658972542	-0.0741670412239	-0.375588439048	0.0645134201024	-0.216555994614	0.464849848017	-0.410050687711	-0.334489674161	0.265446987315	-0.688258249818	0.118324406839	-0.0437794343231	0.559536663806	-0.494083556539	-0.00138843759923	0.563856772116	-0.0799977538995	-0.083331846259	0.579326500666	0.0276387819999	0.398797882316	7.49462793096	-17.735035886	-21.3568776668
15	1.45409566239	-0.93747732311	0.670369179957	0.297479463462	-0.723018550526	1.11563031061	-0.299513922199	0.0683343261861	-0.304159864741	-0.286220570031	0.00169090704227	0.118533645343	0.895481513234	0.270688841303	-0.00674796723493	0.507654519769	-0.0587992733825	-0.0454193537857	0.513393205037	0.0133886587851	0.399027047041	10.5610251249	-19.6181976262	-14.5700514182
16	0.514095320009	0.307405127732	0.696249414768	-0.138332115381	0.315474807994	0.771911337629	-0.233555929338	-0.74987203875	-0.515300441275	0.141277413083	0.294129242088	-0.05521620776	0.6012433506	0.524954390179	-0.000223972961323	0.48203783723	-0.00967751061947	0.0605153564065	0.363997380272	0.0347343705694	0.469099942937	17.4302953642	-32.1214836429	16.7161662397
17	1.22551463473	0.627620752032	-0.176116187949	0.580532220898	0.151190473351	0.40453677768	0.178460509803	-0.131203160141	-0.183985108789	-0.056254757749	-0.08675771526	0.00184332623069	-0.0485838124836	0.143335187223	-8.13512370177E-6	0.338463508391	0.000366430623792	0.0471890015705	0.239372592271	0.0375283129921	0.333799871483	19.6902612323	-28.9317291135	11.310392302
18	0.312770445429	0.0662597798956	0.339294183871	1.09325348604	-0.24570144748	0.452164083728	0.323283053006	0.356291543885	0.0970955051383	-0.304774485469	-0.176062636313	-0.12039344626	0.390176032514	0.0462853807353	-5.59354781794E-5	0.381765008698	0.0291188291798	-0.0151075176351	0.362405986443	0.0170327912192	0.299139601861	24.4509247639	-22.2520841745	17.3547501497
19	0.308551811196	0.0552116418041	0.0566716688946	0.076274072282	-0.0152452281618	-0.0597169454433	-0.199353560123	-0.219450837967	0.0503852563665	0.484900857887	0.268055195051	0.0983080297144	0.0535590389922	-0.295939126674	3.79430652528E-5	0.486116282616	-0.0358250544161	0.0378795278679	0.438286715344	0.079254059578	0.37715508261	16.173987103	-27.4266582977	24.5993554784
20	0.40517847554	0.282690045069	0.144099959272	0.711606634337	-0.620256052007	1.17444778797	-0.0910116689048	-0.578414855706	-0.371241372333	0.353842231457	0.124523029977	-0.231123228505	0.477358753285	0.37889752553	-0.000199398873948	0.424445904385	0.0706992051315	0.0145441805612	0.427304792741	0.0616172716877	0.376475725493	28.4073023405	-29.0816233607	23.9526546101
21	5.2449792847	1.72193379605	-0.659564749533	2.4064014015	0.808396778098	0.674788734392	-0.258399778474	-1.07955321875	0.0465539433735	-0.0425423826263	-0.149948048034	0.103668344102	0.924789796587	1.62286062189	-0.222019534478	0.545285040565	0.151737289483	-0.00367270745521	0.528851599408	0.124914150898	0.269509295373	21.321828109	-32.1587582588	27.3239445801
22	2.17619693049	-1.06051147717	-0.301540348258	1.7023470378	1.19889210946	0.91989167921	-0.010507690596	0.0664838212649	-0.366222883883	-0.0957842597293	-0.025768625675	0.250694027	0.182874912022	-0.0632033668334	0.00039686720314	0.362880030283	-0.0269945890132	-0.0093467075448	0.304800786378	-0.0268260730395	0.391617515829	13.7585667185	-30.0793718111	3.04033195329
23	0.121932094018	0.217310544322	0.201390473831	0.413287885371	-0.102447436486	4.00889675627	0.175620615571	0.456632911219	0.113467257896	0.17779482009	-0.497612413972	1.89608328059	-1.4378658069	-0.8319853283	0.000795743323594	0.385982429443	-0.105289368414	0.0254106006861	0.597000921534	-0.106722277858	0.807166368347	-1.51314454538	-26.9540516217	10.7055369183
24	0.297865469494	0.0205100904879	-0.196766007911	0.18057026082	-0.249705975036	0.345742400675	0.0812987271651	-0.306906841268	-0.243571078193	0.154796921292	-0.46828309133	0.238147440902	0.174273739637	-0.831408203532	-0.000366183931672	0.319591577831	-0.0230551754682	0.0671712519093	0.636900917613	-0.00290238127445	0.467522901607	3.07711969707	-20.8757717958	23.6065845486

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 222 through 239 )	A	A	222 - 239	1 - 16
2	2	chain 'A' and (resid 240 through 247 )	A	A	240 - 247	17 - 24
3	3	chain 'A' and (resid 248 through 273 )	A	A	248 - 273	25 - 50
4	4	chain 'B' and (resid 55 through 68 )	B	B	55 - 68	1 - 14
5	5	chain 'B' and (resid 69 through 93 )	B	B	69 - 93	15 - 39
6	6	chain 'B' and (resid 94 through 107 )	B	B	94 - 107	40 - 53
7	7	chain 'B' and (resid 108 through 114 )	B	B	108 - 114	54 - 60
8	8	chain 'B' and (resid 115 through 133 )	B	B	115 - 133	61 - 79
9	9	chain 'B' and (resid 134 through 149 )	B	B	134 - 149	80 - 88
10	10	chain 'B' and (resid 150 through 185 )	B	B	150 - 185	89 - 124
11	11	chain 'B' and (resid 186 through 208 )	B	B	186 - 208	125 - 144
12	12	chain 'C' and (resid 221 through 227 )	C	I	221 - 227	1 - 7
13	13	chain 'C' and (resid 228 through 239 )	C	I	228 - 239	8 - 17
14	14	chain 'C' and (resid 240 through 255 )	C	I	240 - 255	18 - 33
15	15	chain 'C' and (resid 256 through 273 )	C	I	256 - 273	34 - 51
16	16	chain 'D' and (resid 56 through 68 )	D	K	56 - 68	1 - 13
17	17	chain 'D' and (resid 69 through 93 )	D	K	69 - 93	14 - 38
18	18	chain 'D' and (resid 94 through 107 )	D	K	94 - 107	39 - 52
19	19	chain 'D' and (resid 108 through 114 )	D	K	108 - 114	53 - 59
20	20	chain 'D' and (resid 115 through 133 )	D	K	115 - 133	60 - 78
21	21	chain 'D' and (resid 134 through 149 )	D	K	134 - 149	79 - 85
22	22	chain 'D' and (resid 150 through 185 )	D	K	150 - 185	86 - 121
23	23	chain 'D' and (resid 186 through 195 )	D	K	186 - 195	122 - 127
24	24	chain 'D' and (resid 196 through 211 )	D	K	196 - 211	128 - 143

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