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- PDB-8fy2: E3:PROTAC:target ternary complex structure (VCB/WH244/BCL-2) -

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Basic information

Entry
Database: PDB / ID: 8fy2
TitleE3:PROTAC:target ternary complex structure (VCB/WH244/BCL-2)
Components
  • Apoptosis regulator Bcl-2
  • Elongin-B
  • Elongin-C
  • von Hippel-Lindau disease tumor suppressor
KeywordsTRANSCRIPTION / ternary complex / degrader
Function / homology
Function and homology information


channel inhibitor activity / negative regulation of cellular pH reduction / negative regulation of retinal cell programmed cell death / pigment granule organization / CD8-positive, alpha-beta T cell lineage commitment / BAD-BCL-2 complex / positive regulation of skeletal muscle fiber development / regulation of glycoprotein biosynthetic process / positive regulation of melanocyte differentiation / melanin metabolic process ...channel inhibitor activity / negative regulation of cellular pH reduction / negative regulation of retinal cell programmed cell death / pigment granule organization / CD8-positive, alpha-beta T cell lineage commitment / BAD-BCL-2 complex / positive regulation of skeletal muscle fiber development / regulation of glycoprotein biosynthetic process / positive regulation of melanocyte differentiation / melanin metabolic process / myeloid cell apoptotic process / cochlear nucleus development / osteoblast proliferation / mesenchymal cell development / retinal cell programmed cell death / positive regulation of neuron maturation / negative regulation of osteoblast proliferation / gland morphogenesis / renal system process / regulation of cellular response to hypoxia / regulation of cell-matrix adhesion / The NLRP1 inflammasome / dendritic cell apoptotic process / ear development / negative regulation of calcium ion transport into cytosol / stem cell development / lymphoid progenitor cell differentiation / T cell apoptotic process / melanocyte differentiation / negative regulation of myeloid cell apoptotic process / negative regulation of epithelial cell apoptotic process / RHOBTB3 ATPase cycle / negative regulation of receptor signaling pathway via JAK-STAT / BH3-only proteins associate with and inactivate anti-apoptotic BCL-2 members / negative regulation of dendritic cell apoptotic process / negative regulation of T cell apoptotic process / B cell apoptotic process / glomerulus development / regulation of nitrogen utilization / positive regulation of multicellular organism growth / metanephros development / Regulation of MITF-M-dependent genes involved in apoptosis / neuron maturation / focal adhesion assembly / target-directed miRNA degradation / transcription elongation factor activity / negative regulation of motor neuron apoptotic process / VCB complex / elongin complex / regulation of viral genome replication / oocyte development / endoplasmic reticulum calcium ion homeostasis / regulation of mitochondrial membrane permeability / Replication of the SARS-CoV-1 genome / response to UV-B / calcium ion transport into cytosol / response to iron ion / negative regulation of ossification / motor neuron apoptotic process / negative regulation of mitochondrial depolarization / axon regeneration / Cul5-RING ubiquitin ligase complex / epithelial cell apoptotic process / smooth muscle cell migration / NFE2L2 regulating tumorigenic genes / intrinsic apoptotic signaling pathway in response to oxidative stress / intracellular membraneless organelle / Cul2-RING ubiquitin ligase complex / organ growth / negative regulation of B cell apoptotic process / hair follicle morphogenesis / branching involved in ureteric bud morphogenesis / digestive tract morphogenesis / negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediator / B cell lineage commitment / positive regulation of smooth muscle cell migration / SUMOylation of ubiquitinylation proteins / negative regulation of G1/S transition of mitotic cell cycle / pore complex / negative regulation of intrinsic apoptotic signaling pathway / T cell homeostasis / negative regulation of transcription elongation by RNA polymerase II / BH3 domain binding / B cell homeostasis / humoral immune response / B cell proliferation / negative regulation of apoptotic signaling pathway / Pausing and recovery of Tat-mediated HIV elongation / Tat-mediated HIV elongation arrest and recovery / negative regulation of anoikis / regulation of calcium ion transport / extrinsic apoptotic signaling pathway via death domain receptors / HIV elongation arrest and recovery / Pausing and recovery of HIV elongation / intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stress / negative regulation of extrinsic apoptotic signaling pathway in absence of ligand / Activation of BAD and translocation to mitochondria / Estrogen-dependent nuclear events downstream of ESR-membrane signaling / hematopoietic stem cell differentiation / behavioral fear response
Similarity search - Function
Apoptosis regulator, Bcl-2 / von Hippel-Lindau disease tumour suppressor, beta/alpha domain / von Hippel-Lindau disease tumour suppressor, alpha domain / von Hippel-Lindau disease tumour suppressor, beta domain / VHL superfamily / von Hippel-Lindau disease tumour suppressor, alpha domain superfamily / von Hippel-Lindau disease tumour suppressor, beta domain superfamily / VHL beta domain / VHL box domain / Apoptosis regulator, Bcl-2/ BclX ...Apoptosis regulator, Bcl-2 / von Hippel-Lindau disease tumour suppressor, beta/alpha domain / von Hippel-Lindau disease tumour suppressor, alpha domain / von Hippel-Lindau disease tumour suppressor, beta domain / VHL superfamily / von Hippel-Lindau disease tumour suppressor, alpha domain superfamily / von Hippel-Lindau disease tumour suppressor, beta domain superfamily / VHL beta domain / VHL box domain / Apoptosis regulator, Bcl-2/ BclX / Apoptosis regulator, Bcl-2, BH4 motif, conserved site / Apoptosis regulator, Bcl-2 family BH4 motif signature. / Apoptosis regulator, Bcl-2 protein, BH4 / Bcl-2 homology region 4 / Apoptosis regulator, Bcl-2 family BH4 motif profile. / BH4 Bcl-2 homology region 4 / Elongin-C / Elongin B / Apoptosis regulator, Bcl-2, BH3 motif, conserved site / Apoptosis regulator, Bcl-2 family BH3 motif signature. / S-phase kinase-associated protein 1-like / SKP1 component, POZ domain / Skp1 family, tetramerisation domain / Found in Skp1 protein family / Apoptosis regulator, Bcl-2, BH1 motif, conserved site / Apoptosis regulator, Bcl-2 family BH1 motif signature. / Apoptosis regulator, Bcl-2, BH2 motif, conserved site / Apoptosis regulator, Bcl-2 family BH2 motif signature. / Bcl-2 family / BCL (B-Cell lymphoma); contains BH1, BH2 regions / Bcl2-like / Bcl-2, Bcl-2 homology region 1-3 / Apoptosis regulator proteins, Bcl-2 family / BCL2-like apoptosis inhibitors family profile. / Bcl-2-like superfamily / SKP1/BTB/POZ domain superfamily / Ubiquitin family / Ubiquitin homologues / Ubiquitin domain profile. / Ubiquitin-like domain / Ubiquitin-like domain superfamily
Similarity search - Domain/homology
: / Apoptosis regulator Bcl-2 / von Hippel-Lindau disease tumor suppressor / Elongin-C / Elongin-B
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.98 Å
AuthorsNayak, D. / Lv, D. / Yuan, Y. / Zhang, P. / Hu, W. / Ruben, E. / Lv, Z. / Sung, P. / Hromas, R. / Zheng, G. ...Nayak, D. / Lv, D. / Yuan, Y. / Zhang, P. / Hu, W. / Ruben, E. / Lv, Z. / Sung, P. / Hromas, R. / Zheng, G. / Zhou, D. / Olsen, S.K.
Funding support United States, 6items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R01 GM115568 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R01 GM128731 United States
Cancer Prevention and Research Institute of Texas (CPRIT)RR200030 United States
National Institutes of Health/National Cancer Institute (NIH/NCI)R01 CA242003 United States
National Institutes of Health/National Cancer Institute (NIH/NCI)R01 CA241191 United States
National Institutes of Health/National Institute on Aging (NIH/NIA)R01 AG063801 United States
CitationJournal: Nat Commun / Year: 2024
Title: Development and crystal structures of a potent second-generation dual degrader of BCL-2 and BCL-xL.
Authors: Nayak, D. / Lv, D. / Yuan, Y. / Zhang, P. / Hu, W. / Nayak, A. / Ruben, E.A. / Lv, Z. / Sung, P. / Hromas, R. / Zheng, G. / Zhou, D. / Olsen, S.K.
History
DepositionJan 25, 2023Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 10, 2024Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: von Hippel-Lindau disease tumor suppressor
B: Elongin-B
C: Elongin-C
D: Apoptosis regulator Bcl-2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)69,4205
Polymers67,7394
Non-polymers1,6821
Water00
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)47.278, 102.604, 167.362
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
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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Components

#1: Protein von Hippel-Lindau disease tumor suppressor / Protein G7 / pVHL


Mass: 20729.531 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: VHL / Production host: Escherichia coli (E. coli) / References: UniProt: P40337
#2: Protein Elongin-B / EloB / Elongin 18 kDa subunit / RNA polymerase II transcription factor SIII subunit B / SIII p18 / ...EloB / Elongin 18 kDa subunit / RNA polymerase II transcription factor SIII subunit B / SIII p18 / Transcription elongation factor B polypeptide 2


Mass: 13147.781 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ELOB, TCEB2 / Production host: Escherichia coli (E. coli) / References: UniProt: Q15370
#3: Protein Elongin-C / EloC / Elongin 15 kDa subunit / RNA polymerase II transcription factor SIII subunit C / SIII p15 / ...EloC / Elongin 15 kDa subunit / RNA polymerase II transcription factor SIII subunit C / SIII p15 / Transcription elongation factor B polypeptide 1


Mass: 10843.420 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ELOC, TCEB1 / Production host: Escherichia coli (E. coli) / References: UniProt: Q15369
#4: Protein Apoptosis regulator Bcl-2


Mass: 23017.896 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: BCL2 / Production host: Escherichia coli (E. coli) / References: UniProt: P10415
#5: Chemical ChemComp-YFH / N-({4-[2-(4-{[(4R)-4'-chloro-4-methyl-6-{[4-(4-{[4-{[(2R)-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}-2,3,4,5-tetrahydro[1,1'-biphenyl]-4-yl]methyl}piperazin-1-yl)-2-oxoethyl]piperazin-1-yl}acetyl)-3-methyl-L-valyl-(4S)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide


Mass: 1681.511 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C83H105ClF3N13O11S4 / Feature type: SUBJECT OF INVESTIGATION
Has ligand of interestY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.98 Å3/Da / Density % sol: 58.66 %
Crystal growTemperature: 291 K / Method: vapor diffusion
Details: 0.1 M Tris-Cl pH 8.7, 18% PEG 8000, 0.2 M MgCl2 and 3% 1,6-Hexanediol

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Data collection

DiffractionMean temperature: 108 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.979 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Jul 24, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979 Å / Relative weight: 1
ReflectionResolution: 2.98→167.5 Å / Num. obs: 17444 / % possible obs: 100 % / Redundancy: 8.2 % / Biso Wilson estimate: 92.16 Å2 / CC1/2: 0.99 / Rmerge(I) obs: 0.199 / Net I/σ(I): 11.5
Reflection shellResolution: 2.98→3.14 Å / Rmerge(I) obs: 2.21 / Num. unique obs: 2476

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.98→83.68 Å / SU ML: 0.5468 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 32.222
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2786 1728 9.99 %
Rwork0.2294 15577 -
obs0.2344 17305 99.44 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 96.21 Å2
Refinement stepCycle: LAST / Resolution: 2.98→83.68 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3907 0 115 0 4022
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00224131
X-RAY DIFFRACTIONf_angle_d0.52055620
X-RAY DIFFRACTIONf_chiral_restr0.0387601
X-RAY DIFFRACTIONf_plane_restr0.0036718
X-RAY DIFFRACTIONf_dihedral_angle_d15.19391543
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.98-3.060.53691350.54361218X-RAY DIFFRACTION96.16
3.06-3.160.4181430.42621289X-RAY DIFFRACTION99.17
3.16-3.280.40021380.33871243X-RAY DIFFRACTION99.71
3.28-3.410.32131450.29921305X-RAY DIFFRACTION99.66
3.41-3.560.34911410.28891271X-RAY DIFFRACTION99.86
3.56-3.750.33021420.28511276X-RAY DIFFRACTION100
3.75-3.990.35711440.27351303X-RAY DIFFRACTION99.79
3.99-4.290.29241460.19641306X-RAY DIFFRACTION99.52
4.29-4.720.25431430.17181301X-RAY DIFFRACTION99.86
4.73-5.410.19361460.18621309X-RAY DIFFRACTION99.93
5.41-6.810.26141480.22431342X-RAY DIFFRACTION100
6.81-83.680.2191570.17741414X-RAY DIFFRACTION99.56
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°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)
10.3111677321430.4446492964380.3741768277320.4977394589730.4931896006060.3614049262080.387970509658-0.1621319724840.06355723745510.15107937160.06448249860420.657714750918-0.1781077190250.383664428365-6.3860878426E-60.619417012696-0.02242902074870.009310090031680.5575043568070.1171374237430.6408553499467.06492379068-13.8032513637-17.6042195869
21.033619703390.979135634917-0.4688587607060.543186251318-0.4861636269080.0686404517902-0.2330593876840.222802989443-0.256892080570.09967211848290.02381123895780.103040923720.1821914237940.149765281854-7.2410868579E-60.6373440857440.02868959228050.01493097423680.8578006660920.06673621099960.532353106599.75741111442-16.4084739754-25.3240920548
30.2016870373750.322020859883-0.2595103414940.464230461757-0.4854743005470.366354970570.142509736592-0.179219364561-0.0995444985898-0.071804614248-0.323959807165-0.450830672892-0.8611192270030.83665434344-6.62304775021E-50.746999304238-0.0912893165164-0.02057453280380.977418795752-0.01711046789750.9067183456314.611916-10.0508289536-24.0429175291
40.205076942956-0.3488954062370.465006241743-0.173940722764-0.3939631516410.9488474126540.356313687097-0.385633876607-0.25621369832-0.373519092858-0.1932229510480.549488122034-0.5837585988430.817995501450.002866291541220.684881050855-0.06538649470650.0143105073720.6315556625030.1512837128990.97567871057820.2444700959-9.37513832973-31.59131682
50.1133202155370.01987418553930.06748770310440.403846629789-0.1958861162430.173233120629-0.01162081200850.238081132169-0.248901120558-0.4163826876760.275162480839-0.475328858032-0.07646978885750.06872239159115.05109717884E-50.7809177646090.0937464413343-0.07859453399780.825783542890.07102659029221.0163039251936.3730478789-24.3497864233-35.168195678
60.14886398298-0.2379791125620.004292910870080.8508819528780.6663889520750.694662815181-0.131542105093-0.812046633097-0.306694300373-0.339345923574-0.2065612911540.228619782386-0.9347158296690.964999198221-0.0166498270520.412765484629-0.0898946376603-0.1263513417751.074842014950.1160397026660.6114779921524.3580740207-15.3030110538-14.7872442732
70.4662316872220.1453998541360.02010460835430.406215886866-0.3984871930830.443025018585-0.199169840497-0.1265563031420.695950705649-0.5632427469620.340452721925-0.187592127821-0.164460750841-0.2173737369690.002239663312130.680255354121-0.08107774461730.06506042001150.4658357213970.001025603321440.64800062929832.669651468610.5294711936-46.7989174603
80.5991165563360.4513254321090.1613902299220.3896405788480.1674273212170.06910611092080.1949479306240.7043912855130.3483424507870.02011962187160.203561645212-0.07144043380640.1731734897840.04802324871590.0001014420849040.6617265351810.094383093941-0.06589606180990.5763160741710.01138886495930.74751828587638.268571584620.2351948437-49.9924527974
90.6080992207060.2618670608370.456836474850.89918657496-0.297944908441.614597345580.2262045162640.6902600191870.228843013326-0.2585822985031.235410662370.529769922693-0.38867702295-1.148845144240.6015347393890.747089486861-0.212503730748-0.02119159417440.7445411306060.216270689890.87245010493727.493460067316.0973001654-56.8268613551
100.08552786159050.09729136704870.01411382197350.104619248358-0.03852795027130.0289101362670.09455198800840.107082774270.648429185805-0.536975482868-0.246493522966-0.296787385817-0.717280495083-0.4980373538441.7858331898E-50.51530373901-0.068914000667-0.02877008093850.919739550983-0.01461379950290.61340960579824.22729822764.79165783281-47.0291144018
110.09897489049990.1184402276070.11000304130.0401765382808-0.05275316208850.115021357197-0.07614287374670.723035891651-0.513990991404-0.44008051139-0.220521304305-0.6861095792150.9109497398970.8139141100020.0001088616627660.647710822008-0.00916011329853-0.1196022460331.044542956330.009459196026180.55920291563837.365854759411.9132384535-53.7513424156
120.02575231937580.0325853477112-0.02096354386860.0250390190553-0.03145658572440.06680992571820.00725784195632-0.1692393853030.708729331489-0.3679864952060.0365743616821-0.3673607792190.3563365261520.6656985396270.001082375229471.006776215390.0132847790883-0.01378043646260.970549647671-0.08533069699480.93814806438947.804677903222.1677396768-61.5986207623
13-0.00888643186759-0.006788665711420.01227500958690.0288501039697-0.08378879021160.1108228739730.2683788410460.5377344795940.2913185096260.166427603226-0.332252494167-1.98760033427-0.8612937796370.0920357737529-7.14130100535E-50.9436456620140.1769030968430.2236548740520.7493155098970.1031504204760.71899965088942.361644038913.6775691793-60.9943814517
140.08804385545040.193380513443-0.01470091462510.138079423126-0.1773173316520.1718446356610.107207765703-0.436254391886-0.921644418835-0.778535985456-0.7791338765270.1059903799910.2577213709741.12202768082-0.005719273741110.9136063433140.1447092221010.2301721398330.7076312329580.04787355013690.75968992696241.0482035733-7.37650121856-53.3627403489
150.42063195572-0.168894560236-0.5868102895740.3963821891550.6432346879371.308939266970.763242760792-0.4024552057140.0471582288989-0.3260274289680.985780895394-0.264555130986-0.2792127810740.2871431761740.03905384616821.10363568508-0.0445955496147-0.1350427336690.5327130337770.05410837568810.95357497627633.8380532903-24.2911950485-49.0449740495
160.5724277073190.05562665898920.2491701497490.4761144196290.0439559834920.0266113027491-0.157202223160.38240739052-0.387669425294-0.419553568449-0.07055279988190.0474098975349-0.05578529240510.101173770973-7.0707970296E-60.590573792699-0.003206869372210.002175678791950.7328981116420.1515091140230.53732358865543.22953712014.40968200458-37.2449597881
170.3188565321480.4341891537980.10060060490.5741672442170.1660688556070.0313978463404-0.3416630653140.384692883498-0.314989329658-0.4546873230360.273977825905-0.2689976854490.135087381740.694397548790.01173635001290.559734061530.08713906391980.01098908389131.041026484120.3272611455570.74832052286949.3679484091-0.372190996152-39.0219874698
180.3344482897950.3837139710210.4915633512580.571522655990.2077014554270.6736134150270.667803812522-0.02905370321750.282912719675-0.388814654946-0.4727079909450.183224588337-0.770319219139-0.2316947077820.0001126503217220.7243439751860.1215989447890.1476559257160.8766026571490.08554580163260.64308311007629.561066792-1.56314385492-38.0789834009
191.287108776350.125671937981-1.110993426290.0603335110146-0.1399148491920.942094966452-0.704109106303-1.424788193210.483368741036-0.466812218345-0.2860907695410.172399233284-0.9463194315660.970094872309-0.02808030297010.5526419242450.06438040145030.042162938270.4881392232950.1898618823130.63455355989339.3641523538-10.931882459-38.6860078193
200.54752756259-0.08794300475610.08941376557260.0204957357817-0.0203680810588-0.05756341411270.4393771912560.0825946973198-0.4122241648310.753449244751.00391346931-0.550019891670.142066091769-0.4271993724940.8743518442491.2631577433-0.06790498700550.240009031240.9537837963530.2008768452990.93671834816-13.1145577192-48.0003087176-7.78766726127
210.342332511241-0.147393270824-0.4300315086270.1914427499360.1786011593170.213257714574-0.115591740658-1.1122541303-0.08303479495170.114070656320.5176395663040.329024354059-0.281141095406-0.1392608180720.00274229832271.15427201863-0.1239515567760.1138761840220.8941003005470.2160689815321.0486125679-14.0370844783-46.7326603657-2.21161213742
221.028613248160.07466719626850.419873795061-0.0117246021549-0.009598339324590.0514023469072-0.946983807198-1.200770847210.60755178324-0.1036228965170.60367717029-0.2029583106010.3948624595350.00732867056408-0.02322487079031.179361852490.1922516427360.04298201075711.036819541540.0701268143040.614295005841-2.14538974337-46.053373691-10.1724770144
230.288049559085-0.1565959728860.1528135103250.0626626195955-0.1336580359520.06314774485680.07095146653331.50136807103-0.519979443353-0.08134879859830.1675532037520.525982974261-0.2584219245490.2325533929010.003465655980840.8352103318420.05905257148970.08311984958730.509860447559-0.003804576859480.681165860684-6.66488015315-28.0196048262-9.01644966736
240.544197655373-0.1096649303-0.212880585003-0.004907591878310.0352678353205-0.0886986674489-0.4611533842041.38928472446-0.677151679463-0.5720568570110.2336390650161.128998732060.237118430483-0.1353578557480.003973313423630.8764385464520.034710696218-0.07370212394280.7241084835870.01818416920350.7629365232-15.7600681574-32.1193415303-18.6189978031
250.0747830764325-0.1419750219870.05972148119311.44521280246-0.3623524585790.07331440634760.1296195041970.0564115767907-0.203138065795-0.0893731053715-0.2116979838140.4907058689640.075043622207-1.201609296291.07602464195E-50.883164346527-0.2591971403490.1008350094231.043186092770.0297656654560.755670460717-15.9210151116-38.0977198512-10.6434192269
260.7184187899230.5288945414391.031098009220.4787758852330.7939332809591.535056275060.2759446841080.706890807436-1.08763903908-0.2889655007940.725234085196-1.373035388280.7303129471010.5640679441120.3747290951160.998900593407-0.5815260160150.3109696724191.42918470635-0.3793570002241.22789834264-12.6668853621-49.1820154206-25.9763672876
270.1055278589890.02188340920710.01301084222320.3240567698880.2543567704490.226129232003-0.0176499911719-0.194287527697-0.6461506858460.240522559681-0.123247451023-0.03478408812231.023408245930.07996131054080.02597192398061.671182569880.232980408450.2186076071050.5577695187220.1740826648711.02023926858-2.81932810143-52.2422840556-18.5413525345
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 60 through 79 )AA60 - 791 - 20
22chain 'A' and (resid 80 through 121 )AA80 - 12121 - 62
33chain 'A' and (resid 122 through 141 )AA122 - 14163 - 82
44chain 'A' and (resid 142 through 169 )AA142 - 16983 - 110
55chain 'A' and (resid 170 through 193 )AA170 - 193111 - 134
66chain 'A' and (resid 194 through 208 )AA194 - 208135 - 149
77chain 'B' and (resid 1 through 23 )BB1 - 231 - 23
88chain 'B' and (resid 24 through 45 )BB24 - 4524 - 45
99chain 'B' and (resid 46 through 60 )BB46 - 6046 - 60
1010chain 'B' and (resid 61 through 72 )BB61 - 7261 - 72
1111chain 'B' and (resid 73 through 79 )BB73 - 7973 - 79
1212chain 'B' and (resid 80 through 84 )BB80 - 8480 - 84
1313chain 'B' and (resid 85 through 89 )BB85 - 8985 - 89
1414chain 'B' and (resid 90 through 99 )BB90 - 9990 - 99
1515chain 'B' and (resid 100 through 105 )BB100 - 105100 - 105
1616chain 'C' and (resid 17 through 45 )CC17 - 451 - 29
1717chain 'C' and (resid 46 through 66 )CC46 - 6630 - 39
1818chain 'C' and (resid 67 through 96 )CC67 - 9640 - 69
1919chain 'C' and (resid 97 through 112 )CC97 - 11270 - 85
2020chain 'D' and (resid 8 through 25 )DD8 - 251 - 18
2121chain 'D' and (resid 26 through 90 )DD26 - 9019 - 28
2222chain 'D' and (resid 91 through 107 )DD91 - 10729 - 45
2323chain 'D' and (resid 108 through 122 )DD108 - 12246 - 60
2424chain 'D' and (resid 123 through 143 )DD123 - 14361 - 81
2525chain 'D' and (resid 144 through 184 )DD144 - 18482 - 122
2626chain 'D' and (resid 185 through 193 )DD185 - 193123 - 131
2727chain 'D' and (resid 194 through 203 )DD194 - 203132 - 141

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