PDB-9h31: T2R-TTL-PROTAC4 complex

ID or keywords:

Entry

Database: PDB / ID: 9h31

Title

T2R-TTL-PROTAC4 complex

Components

Stathmin-4
Tubulin alpha-1B chain
Tubulin beta-2B chain
Tubulin--tyrosine ligase

Keywords

CELL CYCLE / TUBULIN FOLD / CYTOSKELETON / MICROTUBULE

Function / homology

Function and homology information

positive regulation of axon guidance / microtubule depolymerization / regulation of microtubule polymerization or depolymerization / microtubule-based process / cytoplasmic microtubule / cellular response to interleukin-4 / tubulin binding / structural constituent of cytoskeleton / microtubule cytoskeleton organization / neuron migration ...
Similarity search - Function

Biological species

Rattus norvegicus (Norway rat)

Gallus gallus (chicken)

Bos taurus (domestic cattle)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

FOURIER SYNTHESIS / Resolution: 2.2 Å

Authors

Maiocchi, A. / Abel, A.-C. / Steinmetz, M.O. / Passarella, D. / Prota, A.E.

Funding support

European Union,

Switzerland, 2items

Citation

Journal: To Be Published
Title: Effective tubulin degradation by rationally designed Proteolysis Targeting Chimeras
Authors: Maiocchi, A. / Abel, A.-C. / Basellini, M. / Perez Pena, H. / Boiarska, Z. / Ferrandi, E. / Kozicka, Z. / Fasano, V. / Pieraccini, S. / Cappelletti, G. / Steinmetz, M.O. / Prota, A.E. / Passarella, D.

History

Deposition	Oct 15, 2024	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Oct 29, 2025	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	9h31.cif.gz	1 MB	Display	PDBx/mmCIF format
PDB format	pdb9h31.ent.gz		Display	PDB format
PDBx/mmJSON format	9h31.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9h31_validation.pdf.gz	2.2 MB	Display	wwPDB validaton report
Full document	9h31_full_validation.pdf.gz	2.3 MB	Display
Data in XML	9h31_validation.xml.gz	96.8 KB	Display
Data in CIF	9h31_validation.cif.gz	121.5 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/h3/9h31 ftp://data.pdbj.org/pub/pdb/validation_reports/h3/9h31	HTTPS FTP

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Related structure data

Related structure data	9h30C 9h32C 9h33C 9h34C 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	#175 - Jul 2014 Microtubules similarity (28) #176 - Aug 2014 Dynein similarity (19) #241 - Jan 2020 Twenty Years of Molecules similarity (19) #118 - Oct 2009 Sodium-Potassium Pump similarity (1) #168 - Dec 2013 DNA Helicase similarity (1) #195 - Mar 2016 RAF Protein Kinases similarity (1)

Deposited unit

A: Tubulin alpha-1B chain

B: Tubulin beta-2B chain

C: Tubulin alpha-1B chain

D: Tubulin beta-2B chain

E: Stathmin-4

F: Tubulin--tyrosine ligase

hetero molecules

266 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author

Unit cell

Length a, b, c (Å)	104.500, 156.570, 181.320
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 , 4 types, 6 molecules ACBDEF

#1: Protein	Tubulin alpha-1B chain / Alpha-tubulin ubiquitous / Tubulin K-alpha-1 / Tubulin alpha-ubiquitous chain Mass: 50204.445 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Bos taurus (domestic cattle) / Organ: brain / References: UniProt: P81947
#2: Protein	Tubulin beta-2B chain Mass: 49999.887 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Bos taurus (domestic cattle) / Organ: brain / References: UniProt: Q6B856
#3: Protein	Stathmin-4 / Stathmin-like protein B3 / RB3 Mass: 16844.162 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Rattus norvegicus (Norway rat) / Gene: Stmn4 / Production host: Escherichia coli (E. coli) / References: UniProt: P63043
#4: Protein	Tubulin--tyrosine ligase Mass: 44378.496 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Gallus gallus (chicken) / Gene: TTL / Production host: Escherichia coli (E. coli) / References: tubulin-tyrosine ligase

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Non-polymers , 8 types, 404 molecules

#5: Chemical	ChemComp-GTP / GUANOSINE-5'-TRIPHOSPHATE Mass: 523.180 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₁₀H₁₆N₅O₁₄P₃ / Comment: GTP, energy-carrying molecule*YM
#6: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Mg
#7: Chemical	ChemComp-CA / CALCIUM ION Mass: 40.078 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Ca
#8: Chemical	ChemComp-GDP / GUANOSINE-5'-DIPHOSPHATE Type: RNA linking / Mass: 443.201 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₁₀H₁₅N₅O₁₁P₂ / Comment: GDP, energy-carrying molecule*YM
#9: Chemical	ChemComp-MES / 2-(N-MORPHOLINO)-ETHANESULFONIC ACID Mass: 195.237 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₆H₁₃NO₄S / Comment: pH buffer*YM
#10: Chemical	ChemComp-A1ISE / N-[5-(1-{2-[4-({[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl]oxy}carbonyl)phenyl]ethyl}-1H-1,2,3-triazol-4-yl)pentanoyl]-3-methyl-D-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide Mass: 1276.928 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₆₆H₈₂ClN₉O₁₃S
#11: Chemical	ChemComp-ACP / PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER / ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE Mass: 505.208 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₁₁H₁₈N₅O₁₂P₃ / Comment: AMP-PCP, energy-carrying molecule analogue*YM
#12: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 388 / 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: 2.83 Å³/Da / Density % sol: 56.61 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion / pH: 6.5 Details: 4% PEG 4K, 14% glycerol, 30 mM MgCl2, 30 mM CaCl2, 0.1 M MES/Imidazole, 5 mM L-tyrosine

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1.00003 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Apr 21, 2023
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.00003 Å / Relative weight: 1
Reflection	Resolution: 2.2→49.62 Å / Num. obs: 150978 / % possible obs: 99.97 % / Redundancy: 122.6 % / B_iso Wilson estimate: 65.78 Å² / CC_1/2: 1 / R_merge(I) obs: 0.1105 / R_pim(I) all: 0.01004 / R_rim(I) all: 0.1109 / Net I/σ(I): 35.49
Reflection shell	Resolution: 2.2→2.22 Å / R_merge(I) obs: 5.697 / Mean I/σ(I) obs: 1.1 / Num. unique obs: 4965 / CC_1/2: 0.601 / R_pim(I) all: 0.5023 / R_rim(I) all: 5.719

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Processing

Software

Name	Version	Classification
PHENIX	1.21.1_5286	refinement
XDS		data reduction
XSCALE		data scaling
PHENIX		phasing

Refinement

Method to determine structure:

FOURIER SYNTHESIS / Resolution: 2.2→49.62 Å / SU ML: 0.2889 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 25.5211
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2272	7549	5 %
R_work	0.2035	143418	-
obs	0.2047	150967	99.98 %

Solvent computation

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

Displacement parameters

B_iso mean: 87.28 Å²

Refinement step

Cycle: LAST / Resolution: 2.2→49.62 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	17373	0	262	388	18023

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0015	18037
X-RAY DIFFRACTION	f_angle_d	0.4409	24459
X-RAY DIFFRACTION	f_chiral_restr	0.0418	2660
X-RAY DIFFRACTION	f_plane_restr	0.0025	3163
X-RAY DIFFRACTION	f_dihedral_angle_d	11.1991	6686

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 (%)
2.2-2.22	0.3168	248	0.3147	4714	X-RAY DIFFRACTION	99.82
2.22-2.25	0.3472	248	0.3193	4712	X-RAY DIFFRACTION	99.94
2.25-2.28	0.3186	250	0.3132	4744	X-RAY DIFFRACTION	99.94
2.28-2.31	0.2917	249	0.3023	4730	X-RAY DIFFRACTION	99.98
2.31-2.34	0.3044	250	0.2898	4751	X-RAY DIFFRACTION	100
2.34-2.37	0.295	250	0.2856	4734	X-RAY DIFFRACTION	99.98
2.37-2.4	0.3315	248	0.3075	4727	X-RAY DIFFRACTION	100
2.4-2.44	0.3179	249	0.3137	4731	X-RAY DIFFRACTION	100
2.44-2.48	0.3094	251	0.2846	4756	X-RAY DIFFRACTION	100
2.48-2.52	0.319	249	0.2786	4730	X-RAY DIFFRACTION	99.98
2.52-2.56	0.2937	250	0.2628	4764	X-RAY DIFFRACTION	100
2.56-2.61	0.2671	250	0.2468	4748	X-RAY DIFFRACTION	99.98
2.61-2.66	0.2554	250	0.2476	4736	X-RAY DIFFRACTION	99.98
2.66-2.71	0.2735	249	0.245	4729	X-RAY DIFFRACTION	100
2.71-2.77	0.2812	250	0.2514	4762	X-RAY DIFFRACTION	100
2.77-2.84	0.2687	252	0.251	4790	X-RAY DIFFRACTION	99.98
2.84-2.91	0.2814	251	0.2607	4754	X-RAY DIFFRACTION	100
2.91-2.99	0.2898	250	0.2694	4750	X-RAY DIFFRACTION	100
2.99-3.07	0.2951	253	0.2549	4806	X-RAY DIFFRACTION	100
3.07-3.17	0.2799	249	0.238	4738	X-RAY DIFFRACTION	100
3.17-3.29	0.2626	251	0.233	4764	X-RAY DIFFRACTION	100
3.29-3.42	0.2369	252	0.2256	4789	X-RAY DIFFRACTION	99.98
3.42-3.57	0.2491	253	0.2103	4805	X-RAY DIFFRACTION	100
3.57-3.76	0.2095	253	0.2043	4809	X-RAY DIFFRACTION	100
3.76-4	0.2032	252	0.1848	4796	X-RAY DIFFRACTION	100
4-4.31	0.2088	254	0.1745	4826	X-RAY DIFFRACTION	100
4.31-4.74	0.1847	255	0.1582	4840	X-RAY DIFFRACTION	100
4.74-5.42	0.1922	256	0.173	4871	X-RAY DIFFRACTION	100
5.42-6.83	0.2285	259	0.199	4907	X-RAY DIFFRACTION	100
6.83-49.62	0.1898	268	0.1672	5105	X-RAY DIFFRACTION	99.85

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	3.08943463198	-0.807642798894	-0.699062173682	5.62747547849	-0.124751847548	1.88431999183	0.00193114229211	-0.0525424126149	0.48038016295	-0.523695354709	0.270152999853	-0.433284397403	-1.17279747865	0.476083007108	-0.25329898789	1.0262232631	-0.163633252896	0.134657973795	0.712431099437	-0.13987127948	0.598989304238	28.8867438794	96.8959874291	54.2016871971
2	1.89682188193	0.67677102397	0.984076894558	6.82658808538	1.47089319537	4.48502028987	-0.116233685276	0.386345587577	0.257048559362	-1.66318572888	0.159633731553	-0.137206257206	-1.23729390727	0.33117334744	-0.0684794729015	0.997977295083	-0.147202014851	0.0992210206834	0.813995267943	-0.171874961558	0.735741474989	28.1362118551	86.6734831242	42.6957292494
3	3.41410448573	1.17929008572	0.728393146322	5.76561965738	2.05169274716	3.55884037029	-0.00584551548409	0.439626608848	0.0505470015799	-0.459522122645	0.483807723908	-1.08868129353	-0.627301948939	0.946656427861	-0.583010303115	0.597578687852	-0.139581154486	0.1279222987	0.853625465474	-0.311966193794	0.760998790284	38.4543113641	80.5498835385	52.4448345289
4	2.0986212702	0.314016178246	-0.80138868086	6.34762093001	1.21128194994	3.30444434861	0.174686592753	-0.00969162253897	0.0355835599163	0.584011042611	0.184981085067	-0.300608795088	0.203960549554	0.728654319523	-0.292803181452	0.616516955559	0.0438226292401	0.000921620202445	0.646614543069	-0.19077492767	0.539587359156	29.7123553048	73.1638165523	58.9072369777
5	3.41090148611	-0.316805967767	0.911260954496	4.38963912737	1.11048123669	5.58783427343	0.184310375913	-0.0228534852103	0.0940731550592	0.27100698099	-0.0202876686505	0.0247308075879	-0.394713526911	0.0789664043322	-0.101545934045	0.534246232494	0.0298162418851	0.099575746297	0.450877627348	-0.104564380848	0.470371755715	19.8788472866	84.9245901766	63.3516577222
6	2.69458902737	0.600004675227	0.279526422881	4.5281953643	1.47775976764	6.69935401018	0.0656226512598	-0.424536938357	0.169732839938	0.628395078346	-0.073657459687	0.705899070474	-0.136905594678	-0.620787667869	-0.0126129718	0.621015505411	-0.0236157280669	0.138464580495	0.526949107855	-0.140319858775	0.566699483742	13.8478624023	83.5214026349	70.9526138662
7	2.60136040385	-0.118164356111	0.737970682482	4.93807320111	0.918323434467	1.66154438737	-0.0438180854197	-0.407367997517	0.252408515156	1.02636118544	0.13141793242	0.30590197818	-0.18490214355	0.000344003734074	-0.0368384012697	0.812790924404	0.0256969937732	0.133759906379	0.623517870701	-0.16863455555	0.649942291364	17.3742050083	87.5344297423	76.8797018355
8	1.65556951192	0.330894855637	1.11749073016	5.33386624497	3.12681804447	6.29558858078	0.159296635244	-0.0322963357128	-0.26202353404	0.698400257416	0.229862834473	-0.312352100534	0.875628636695	0.940776993332	-0.383865552431	0.616503387502	0.10035203808	-0.0788393514721	0.584098159473	-0.144389053968	0.633005612076	27.3575464077	60.586371016	57.6765929279
9	4.04550674447	-0.293794789465	0.454825955088	7.801757609	4.71309065412	9.7071237992	-0.0800965333815	-0.500985126483	-0.267740540225	1.78735472112	0.472008497335	-0.428907798751	1.28783775498	1.23602377749	-0.532234363371	0.945042515911	0.20436310382	-0.164991218156	0.675080676462	-0.185905667219	0.76621304378	31.8886286609	62.9742765958	69.5042422119
10	5.41573220691	-2.04411777026	-0.343547166175	6.96082165383	1.21964102919	5.73128015965	0.0857119618799	0.341003058813	0.797759499944	-0.553161070864	-0.0924150474242	0.192196994874	-1.12237213539	-0.396826300294	0.00215189539188	0.66186482079	0.0401979953162	0.0576304784176	0.592529806332	0.0100054464552	0.694320680582	16.1119054722	69.5855613313	19.430475727
11	2.13435858992	-0.388125680021	-0.318145692066	3.94657788265	1.32885550087	4.12385359544	0.0318198729256	0.133461337104	0.148474019592	-0.0480545755163	-0.0441369849824	0.02958372954	-0.174704562736	-0.0392750920041	0.0131273124247	0.371253190053	0.0266710392757	0.0217145297951	0.507115686726	-0.109049848553	0.492676286249	20.3076398956	53.6713131866	23.4395989347
12	4.01508852376	-1.31585931801	0.913729181788	3.47184208843	-0.0394589471552	4.32834723226	-0.128168838463	-0.349597116086	0.17910156727	0.245813050904	-0.0722908505239	0.539298821716	-0.0507732725594	-0.978431520618	0.181542576602	0.531226079852	0.000647427387332	0.0469512902952	0.720068911525	-0.235761343663	0.606052232979	8.45395098691	61.1737301438	42.0747616958
13	0.613772502492	-1.01144283012	0.811636544665	5.51904813141	1.43157271553	3.87366888992	-0.194993197815	-0.346328392894	-0.114045061321	1.02015925348	0.24427054199	0.042583370802	0.807061780056	0.259333139278	0.0134269160885	0.45856605154	-0.0634001254514	0.0166318616095	0.566539003698	-0.0710245763558	0.514105874286	20.8503782023	39.7438288711	32.1340248605
14	1.89467881797	-0.921371510425	0.179602028614	3.82174702567	-0.130425588283	2.3272712388	-0.0402831366544	0.248093825782	0.178454697494	-0.33382874438	0.0848306358312	-0.208200764612	-0.144871123407	0.228371473083	-0.0459000959741	0.437437494013	-0.0877125868706	0.0497649680872	0.578440863014	-0.0510521785892	0.476576179879	20.2180416871	32.6919807213	-11.9090111822
15	1.60396936941	-0.937030218013	0.481492926549	1.62325461075	1.02137746701	3.55055829512	0.044787849424	-0.15229819406	0.0825217045309	0.153705057337	-0.205721992859	0.446547504346	0.14105032556	-0.695088305211	0.147432445261	0.33830465001	-0.078494499647	0.0602329988296	0.494774482372	-0.0624464293798	0.502108357806	2.68954530745	29.834214706	2.50668882486
16	4.59662024771	-1.78377308412	3.56794461694	2.77917271236	-1.50357579356	6.11661074867	0.0610321331524	-0.337036436741	0.175546651621	-0.217971134484	-0.00406233728726	0.294631999081	0.207472805586	-0.43383417376	0.0426982201083	0.539890780737	-0.0832986004505	0.0679154495864	0.578126006601	-0.129042199864	0.620279513826	2.2261549468	34.0484977931	6.07339343749
17	1.7580596935	-1.085386701	-0.381750598252	3.08905871579	1.97455108957	2.56426820358	-0.0785648062793	-0.0861091776698	0.00629974239487	0.439799062442	0.251027652633	-0.315917798963	0.567949968261	0.349972302007	-0.16158994401	0.550694186389	-0.0176556835018	-0.00823352388844	0.430475441964	-0.0744476981854	0.521154945863	20.012623939	13.0642573873	2.62871645618
18	4.1928536434	-1.38002983282	0.268483029236	4.95649140028	-0.217005595798	3.1489252702	-0.134931986017	0.71236381356	0.102756821279	-0.703103301916	0.234919077247	0.147485637913	0.018355737608	-0.520050984151	-0.164164385058	0.856157912019	-0.106499472542	0.0162101298941	1.10724854004	-0.0351912321604	0.536641151008	15.0699790618	11.519636455	-41.3596420736
19	2.8475751012	-0.692604444531	0.0289527084134	4.35658571052	-0.61789332085	2.39031018154	-0.22113345346	1.12004010066	-0.270644403283	-1.12751920239	0.381153563477	-0.458889308924	0.413025966158	0.306194459995	-0.0843664837319	0.994951321786	-0.145118427082	0.236128533782	1.16325672349	-0.281873547666	0.662296901804	28.7952055959	1.38529232566	-42.7892743484
20	4.95751201794	0.106884849986	-1.18453644101	1.56166323534	-1.51526502645	1.62586106969	-0.345491935887	0.504707369289	-0.682336118226	-0.429876951499	0.349745576746	-0.104159774265	0.739155916298	-0.024547603265	0.0257357928943	1.0163573554	-0.115611310522	0.112701479808	0.892622710974	-0.257362274654	0.689309909903	21.7279316935	-9.05376056081	-32.0546849317
21	2.55879247595	-0.414305420451	-0.513625312538	2.57453525424	0.0901887556779	2.95048376326	-0.15274275705	0.564732610486	-0.548685201637	-0.384613576107	0.123140557385	0.316564307211	0.555550620866	-0.458946493025	0.0471206652061	0.725098594338	-0.159119858518	0.0178514999688	0.741371154847	-0.196197635913	0.56427211424	9.10066779522	-2.8523304833	-24.6156800674
22	5.59850426861	-0.956600050613	-2.7224345566	0.951940729404	-0.576599429754	4.12700401954	-0.245876821312	0.337337921777	-0.765349435545	-0.0148744020432	-0.00252035827367	-0.0512503614766	0.87558563731	0.369557605448	0.242558226079	1.1780904351	0.0457453914359	0.166635449932	0.732729872144	-0.26172787373	1.01197940373	30.3899426071	-16.8928510602	-24.1716580708
23	3.36802544283	-2.80375495622	0.348930858858	7.17956360529	1.26439906864	1.79781575572	-0.274336182855	-0.491230906294	0.129829215326	1.35640509667	0.449659257559	-0.621957227043	0.0774376323948	0.528462586947	-0.107563761188	1.23019940523	-0.116748684769	-0.0353607271877	1.0483699423	-0.256610722912	0.911782544812	27.3481694705	91.9187861912	82.3114896026
24	0.549189283571	-0.782773299554	-1.18430243288	2.2828163951	2.23609616675	3.41435935478	-0.0526204778	-0.0942255180162	-0.00982630376366	0.431813095811	0.564132772591	-0.62513534747	0.616645558432	0.882173708672	-0.458106254308	0.55732850755	0.121416801498	0.024049005304	0.945228977289	-0.24371076732	0.878714723843	42.9797630725	27.4622018838	4.17129302242
25	4.306073624	-0.0531719004628	-3.19921305554	3.45548098551	-0.434393395912	7.06217235415	-0.331872396481	0.445559935446	-0.875201134976	-0.211114064108	0.170167605123	-0.0361039835711	1.8950193848	-0.463201098309	0.207215819456	1.08718249254	-0.119464234669	0.0873210699504	0.624481897432	-0.154409124205	0.743227059378	6.09362922714	54.0671322651	69.9636858588
26	5.02505253245	0.44081201883	-0.330852717824	2.57351188101	-0.946649589931	4.80483883313	-0.0795317420161	-1.04570579282	-0.80025620024	0.724002418924	-0.37615193256	-0.922198606683	0.472935446532	1.57452818942	0.429492658281	1.04611415297	0.15258828156	-0.0976771380679	1.2256971908	0.200992391292	0.96432228044	15.5068028453	57.1510635812	105.432947029
27	1.30196844396	0.641125641432	-1.4036736929	3.21419533342	-0.873914743192	3.67929238925	-0.517963287847	-0.333722189155	-1.02738035736	0.582074656829	0.24374396397	-0.0928464163849	1.53440296557	0.20328703701	0.370232827454	1.53466228417	0.0784167543896	0.239120590611	0.768127150486	0.166668223596	1.1371405038	-2.62001639895	46.99816688	99.196829077
28	3.43225128511	0.0214821520252	-3.22593139867	0.892006839808	-0.448565441811	8.52890256379	-0.287046653425	-0.183848339268	-0.66374489066	0.152514295747	0.37628949748	0.0197676606494	0.929355512783	-0.0680209895273	-0.0126470747175	0.95660983845	0.0395911372021	0.0823416444742	0.543852833191	0.03598105189	0.741130550725	0.544754055207	58.8576429132	89.7154332505
29	4.92517251288	-0.523847509474	-4.44654028486	0.85476213486	-1.54249413904	2.01319713898	0.00846848747225	0.284365129449	0.0915689531966	0.122969304546	0.286468925705	0.171246614692	0.118585498452	-0.948450981242	-0.269032149099	0.976380488012	-0.109270099274	0.112945727958	0.936765392065	0.00350112388454	0.929680974149	-7.18711853363	62.9393308644	79.7314610514

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 71 )	A	A	1 - 71	1 - 71
2	2	chain 'A' and (resid 72 through 102 )	A	A	72 - 102	72 - 102
3	3	chain 'A' and (resid 103 through 160 )	A	A	103 - 160	103 - 160
4	4	chain 'A' and (resid 161 through 197 )	A	A	161 - 197	161 - 197
5	5	chain 'A' and (resid 198 through 259 )	A	A	198 - 259	198 - 259
6	6	chain 'A' and (resid 260 through 306 )	A	A	260 - 306	260 - 306
7	7	chain 'A' and (resid 307 through 381 )	A	A	307 - 381	307 - 381
8	8	chain 'A' and (resid 382 through 414 )	A	A	382 - 414	382 - 414
9	9	chain 'A' and (resid 415 through 438 )	A	A	415 - 438	415 - 438
10	10	chain 'B' and (resid 1 through 88 )	B	F	1 - 88	1 - 86
11	11	chain 'B' and (resid 89 through 238 )	B	F	89 - 238	87 - 236
12	12	chain 'B' and (resid 239 through 372 )	B	F	239 - 372	237 - 358
13	13	chain 'B' and (resid 373 through 437 )	B	F	373 - 437	359 - 423
14	14	chain 'C' and (resid 1 through 199 )	C	K	1 - 199	1 - 199
15	15	chain 'C' and (resid 200 through 338 )	C	K	200 - 338	200 - 338
16	16	chain 'C' and (resid 339 through 372 )	C	K	339 - 372	339 - 372
17	17	chain 'C' and (resid 373 through 440 )	C	K	373 - 440	373 - 440
18	18	chain 'D' and (resid 1 through 59 )	D	O	1 - 59	1 - 57
19	19	chain 'D' and (resid 60 through 160 )	D	O	60 - 160	58 - 158
20	20	chain 'D' and (resid 161 through 214 )	D	O	161 - 214	159 - 212
21	21	chain 'D' and (resid 215 through 401 )	D	O	215 - 401	213 - 386
22	22	chain 'D' and (resid 402 through 441 )	D	O	402 - 441	387 - 426
23	23	chain 'E' and (resid 6 through 46 )	E	S	6 - 46	1 - 26
24	24	chain 'E' and (resid 47 through 143 )	E	S	47 - 143	27 - 123
25	25	chain 'F' and (resid 1 through 66 )	F	T	1 - 66	1 - 66
26	26	chain 'F' and (resid 67 through 198 )	F	T	67 - 198	67 - 174
27	27	chain 'F' and (resid 199 through 283 )	F	T	199 - 283	175 - 256
28	28	chain 'F' and (resid 284 through 353 )	F	T	284 - 353	257 - 326
29	29	chain 'F' and (resid 354 through 382 )	F	T	354 - 382	327 - 345

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