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- PDB-8fy0: E3:PROTAC:target ternary complex structure (VCB/753b/BCL-xL) -

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Basic information

Entry
Database: PDB / ID: 8fy0
TitleE3:PROTAC:target ternary complex structure (VCB/753b/BCL-xL)
Components
  • Bcl-2-like protein 1
  • Elongin-B
  • Elongin-C
  • von Hippel-Lindau disease tumor suppressor
KeywordsTRANSCRIPTION / ternary complex / degrader
Function / homology
Function and homology information


apoptotic process in bone marrow cell / regulation of cellular response to hypoxia / SARS-CoV-1-mediated effects on programmed cell death / The NLRP1 inflammasome / dendritic cell apoptotic process / dendritic cell proliferation / positive regulation of mononuclear cell proliferation / RHOBTB3 ATPase cycle / negative regulation of receptor signaling pathway via JAK-STAT / transcription elongation factor activity ...apoptotic process in bone marrow cell / regulation of cellular response to hypoxia / SARS-CoV-1-mediated effects on programmed cell death / The NLRP1 inflammasome / dendritic cell apoptotic process / dendritic cell proliferation / positive regulation of mononuclear cell proliferation / RHOBTB3 ATPase cycle / negative regulation of receptor signaling pathway via JAK-STAT / transcription elongation factor activity / BH3-only proteins associate with and inactivate anti-apoptotic BCL-2 members / negative regulation of intrinsic apoptotic signaling pathway in response to DNA damage / negative regulation of execution phase of apoptosis / negative regulation of dendritic cell apoptotic process / target-directed miRNA degradation / negative regulation of mitochondrial outer membrane permeabilization involved in apoptotic signaling pathway / elongin complex / VCB complex / fertilization / regulation of mitochondrial membrane permeability / negative regulation of protein localization to plasma membrane / regulation of growth / Replication of the SARS-CoV-1 genome / Cul5-RING ubiquitin ligase complex / Bcl-2 family protein complex / Cul2-RING ubiquitin ligase complex / intracellular non-membrane-bounded organelle / NFE2L2 regulating tumorigenic genes / response to cycloheximide / SUMOylation of ubiquitinylation proteins / cellular response to alkaloid / STAT5 activation downstream of FLT3 ITD mutants / hepatocyte apoptotic process / negative regulation of reproductive process / negative regulation of developmental process / negative regulation of release of cytochrome c from mitochondria / negative regulation of transcription elongation by RNA polymerase II / BH3 domain binding / germ cell development / apoptotic mitochondrial changes / Pausing and recovery of Tat-mediated HIV elongation / Tat-mediated HIV elongation arrest and recovery / HIV elongation arrest and recovery / Pausing and recovery of HIV elongation / negative regulation of anoikis / ubiquitin-like ligase-substrate adaptor activity / negative regulation of extrinsic apoptotic signaling pathway in absence of ligand / Tat-mediated elongation of the HIV-1 transcript / ectopic germ cell programmed cell death / Formation of HIV-1 elongation complex containing HIV-1 Tat / Formation of HIV elongation complex in the absence of HIV Tat / negative regulation of endoplasmic reticulum stress-induced intrinsic apoptotic signaling pathway / negative regulation of signal transduction / RNA Polymerase II Transcription Elongation / Formation of RNA Pol II elongation complex / negative regulation of intrinsic apoptotic signaling pathway / negative regulation of extrinsic apoptotic signaling pathway via death domain receptors / ovarian follicle development / extrinsic apoptotic signaling pathway in absence of ligand / negative regulation of TORC1 signaling / RNA Polymerase II Pre-transcription Events / negative regulation of autophagy / transcription corepressor binding / release of cytochrome c from mitochondria / regulation of mitochondrial membrane potential / regulation of cytokinesis / epithelial cell proliferation / response to cytokine / transcription elongation by RNA polymerase II / positive regulation of cell differentiation / TP53 Regulates Transcription of DNA Repair Genes / transcription initiation at RNA polymerase II promoter / cellular response to amino acid stimulus / Vif-mediated degradation of APOBEC3G / Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha / cell morphogenesis / Inactivation of CSF3 (G-CSF) signaling / Evasion by RSV of host interferon responses / cellular response to gamma radiation / synaptic vesicle membrane / Regulation of expression of SLITs and ROBOs / endocytosis / RAS processing / ubiquitin-protein transferase activity / transcription corepressor activity / male gonad development / intrinsic apoptotic signaling pathway in response to DNA damage / Antigen processing: Ubiquitination & Proteasome degradation / positive regulation of proteasomal ubiquitin-dependent protein catabolic process / protein-macromolecule adaptor activity / Neddylation / Replication of the SARS-CoV-2 genome / cellular response to hypoxia / ubiquitin-dependent protein catabolic process / spermatogenesis / regulation of gene expression / protein-containing complex assembly / nuclear membrane / proteasome-mediated ubiquitin-dependent protein catabolic process / Interleukin-4 and Interleukin-13 signaling
Similarity search - Function
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-X / Apoptosis regulator, Bcl-2/ BclX ...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-X / 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 B / Elongin-C / S-phase kinase-associated protein 1-like / SKP1 component, POZ domain / Skp1 family, tetramerisation domain / Found in Skp1 protein family / Apoptosis regulator, Bcl-2, BH3 motif, conserved site / Apoptosis regulator, Bcl-2 family BH3 motif signature. / 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 (B-Cell lymphoma); contains BH1, BH2 regions / Bcl-2 family / Bcl-2, Bcl-2 homology region 1-3 / Bcl2-like / 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
CACODYLIC ACID / : / von Hippel-Lindau disease tumor suppressor / Bcl-2-like protein 1 / Elongin-C / Elongin-B
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.94 Å
AuthorsOlsen, S.K. / Nayak, D. / Lv, D. / Yuan, Y. / Zhang, P. / Hu, W. / Lv, Z. / Sung, P. / Hromas, R. / Zheng, G. / Zhou, D.
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: Bcl-2-like protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)72,7648
Polymers70,8014
Non-polymers1,9634
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)47.620, 118.877, 170.109
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

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Protein , 4 types, 4 molecules ABCD

#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: 13179.780 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: 10914.498 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 Bcl-2-like protein 1 / Bcl2-L-1 / Apoptosis regulator Bcl-X


Mass: 25977.510 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: BCL2L1, BCL2L, BCLX / Production host: Escherichia coli (E. coli) / References: UniProt: Q07817

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Non-polymers , 3 types, 4 molecules

#5: Chemical ChemComp-CAD / CACODYLIC ACID / HYDROXYDIMETHYLARSINE OXIDE


Mass: 137.997 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C2H7AsO2
#6: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O3
#7: Chemical ChemComp-YF8 / N-[8-(4-{[(1R,3R,4S)-4-(4-chlorophenyl)-1-methyl-3-{[4-(4-{[4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonyl]carbamoyl}phenyl)piperazin-1-yl]methyl}cyclohexyl]methyl}piperazin-1-yl)-8-oxooctanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-{(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}-L-prolinamide


Mass: 1640.478 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C82H104ClF3N11O11S4 / Feature type: SUBJECT OF INVESTIGATION

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Details

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: 3.41 Å3/Da / Density % sol: 63.91 %
Crystal growTemperature: 291 K / Method: vapor diffusion
Details: 0.1 M Sodium Cacodylate pH 5.5, 0.2 M Sodium chloride, 6-8% PEG 8000 and 4% tert-Butanediol

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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: Sep 23, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979 Å / Relative weight: 1
ReflectionResolution: 2.94→170 Å / Num. obs: 21196 / % possible obs: 99.3 % / Redundancy: 5.5 % / Biso Wilson estimate: 65.94 Å2 / CC1/2: 0.99 / Net I/σ(I): 7.6
Reflection shellResolution: 2.94→3.12 Å / Num. unique obs: 3282 / CC1/2: 0.6

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6DC6

6dc6


Resolution: 2.94→69.17 Å / SU ML: 0.3825 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 24.3223
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2407 1998 9.46 %
Rwork0.195 19132 -
obs0.1993 21130 99.15 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 65.56 Å2
Refinement stepCycle: LAST / Resolution: 2.94→69.17 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3903 0 128 0 4031
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00384136
X-RAY DIFFRACTIONf_angle_d0.64055616
X-RAY DIFFRACTIONf_chiral_restr0.0406604
X-RAY DIFFRACTIONf_plane_restr0.0049716
X-RAY DIFFRACTIONf_dihedral_angle_d15.16351538
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.94-3.020.33211300.28651251X-RAY DIFFRACTION93.06
3.02-3.10.35351410.2791355X-RAY DIFFRACTION99.8
3.1-3.190.32561430.28691372X-RAY DIFFRACTION99.8
3.19-3.290.33191380.26631317X-RAY DIFFRACTION99.45
3.29-3.410.27481440.24061371X-RAY DIFFRACTION99.87
3.41-3.550.30771400.21921345X-RAY DIFFRACTION99.93
3.55-3.710.2581420.21251358X-RAY DIFFRACTION99.14
3.71-3.90.25621410.20391351X-RAY DIFFRACTION99.53
3.9-4.150.22141410.18031364X-RAY DIFFRACTION99.93
4.15-4.470.19481430.1591364X-RAY DIFFRACTION99.8
4.47-4.920.1961460.14831386X-RAY DIFFRACTION99.35
4.92-5.630.21791450.17321394X-RAY DIFFRACTION99.81
5.63-7.090.25271480.20671416X-RAY DIFFRACTION99.87
7.09-69.170.19231560.1611488X-RAY DIFFRACTION98.74
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)
13.777547537071.808518107341.438917925388.073945024822.419292733565.82646586053-0.385699791975-0.362816856329-0.1015181585541.681814723720.717350853672-0.5454982650130.0417558269111.07434304708-0.2955360345330.7921868035530.0396753440164-0.04903018827240.6040513634780.01791022224060.30366453046641.531283230710.2777692855-15.7433329912
22.480372284630.6591270934540.6647682781731.60153776162-0.1440504309081.99092280892-0.15652170647-0.0272283383956-0.008603440429640.1318220375240.188460481615-0.1566852521320.05254034948790.142591788184-0.06306291368620.4098544716160.0341403285021-0.06761898413110.509914582894-0.09090928285150.47766335186940.20796355825.4264759865-30.1995971315
32.146827358241.097270652710.2195477467472.32745020978-1.095954770952.696123427460.0436684828568-0.527042676782-0.4358844448540.4698755092370.1434676230250.181882291493-0.1122621958020.0236428157678-0.1218748645360.5085460001920.0207510054053-0.06630028045930.528871294465-0.03164878536610.62266563903338.3959712599-1.48932335055-27.5792843283
41.933257643790.04346779349380.2295259511762.63071514554-0.9142585923622.66200092122-0.317444880224-0.04998549124060.868962914888-0.324153789564-0.1216596592-0.358765515405-0.2314822617310.0804882381840.4312867908070.454979171264-0.016119963297-0.1236413722470.520433756238-0.05535675570120.61409112129417.75245088386.27894118047-40.9703405046
53.143265565271.33473862704-0.2632008717342.96807313479-0.248297263934.772940578650.9017640004690.5098835182180.766247489547-0.5130275217180.1190100088580.711250555437-0.507066640016-0.133254566254-1.043884721660.577569545990.00768631641239-0.110018108190.65130827313-0.02524504897230.9107497676218.1687875427310.7133121813-38.8579132302
61.518756263380.6173024174790.3076329887371.64389285970.9683207335880.552297113309-0.193622222985-0.233188723242-0.0691473482847-0.05880679166860.0497790271670.325233671303-0.479555100493-0.4049128541160.1202525531450.6529451536450.07348133978030.02643977985080.868725152775-0.1329309361861.0648499727623.8799259758.68876838671-22.4776890568
72.537043022440.0503017019437-0.2907067415452.641516392421.15663912512.06754648566-0.1998279390510.0736628154037-0.2798992829780.1095839618060.280078514227-0.4228956845760.3256903609410.00635081988187-0.07711744606040.5197030630340.00506683951149-0.04769736655460.485772313575-0.01746345259240.52468207137514.4655176509-28.1911106048-48.1898253111
86.90601958921.389175730852.343750629293.179524084981.568853694595.856901812420.5791054465240.569528436221-0.629156125251-0.3998609360080.193251148391-0.7846083562350.2311135736650.999205812438-0.6879720756590.6777533681290.0570217101992-0.03930085475740.670205316266-0.1116713431530.78985330748622.5347751629-29.9630233479-55.9949623105
91.69488915389-0.08918921681670.4081383978672.741432711431.043322815253.03954973714-0.0575834827693-0.299097134738-0.0363372794663-0.36714871562-0.0597718800208-0.2382726949060.161224556195-0.2864411835240.06254880132810.514287955452-0.05032799362690.04396231945260.512931405277-0.01907638342880.51180421691814.9043726597-24.6023305673-53.8744715124
102.312757968022.04545451272-0.00676863498486.934346942940.7352250499231.74676552567-0.3675203655940.5024016949680.383337384831-1.01214054768-0.03103671928710.31839382681-0.772918030508-0.2677706734170.2471630910490.7249402331940.0754934175109-0.1481406435180.7509354567220.03418096707280.55723306397810.38564745880.919760036235-55.0032830084
115.30575124509-2.851926504951.278935723773.20905832541-0.4620585871382.08665473098-0.01765983753670.5520174838210.581746096866-0.0201923999501-0.3132907005030.1178205861160.07769197691170.1601799317640.3121687013650.431030155301-0.02912388586-0.05735162748080.454873627738-0.008548212617730.4963337512864.09921103204-17.7071206766-42.7778667373
123.178617040990.252615211663-0.1223488389834.392451821081.094711198833.70470442943-0.0210192362593-0.444111952456-0.7522617836610.6845441105040.246303219686-0.8535983441710.3700483027220.181949299704-0.2326186827780.553903815285-0.00582387769662-0.08182673145680.5041035156070.007561128745170.6174234096199.35717339214-17.878946526-37.3441954635
133.495462103040.5671079556320.2050174553015.275515609381.264860663354.19048075917-0.1354170555330.0813854614899-0.1700054917410.188019683046-0.1136552064720.8121931582380.571645037139-0.3830589824680.2098443249560.4261408596180.02543732554280.0550758441130.611108828906-0.05785126850250.5774391439270.772646018573-12.0585007613-36.6349070731
142.30024083251-0.3236031658860.6414435538621.44826177713-0.9445843189153.08484335109-0.352102663946-0.1789572361260.9504796933590.094730479455-0.306579064067-0.4717790806160.2041574497950.09615126966660.5410463274190.474650264218-0.0516811920238-0.08228254719220.507189479445-0.02042650341960.60584681770715.5021801956-11.1256850829-41.0857950118
152.196091515651.25721085398-1.234862424042.050118446970.9031465399762.59187020992-0.07727669756730.0141319532540.3029675681180.350115865166-0.200185659536-0.399952423772-0.248705860913-0.2359863059440.1744893824340.497853790130.087558059974-0.05630510169310.463527351651-0.07972998679420.53084329953825.418564348-8.33653107928-38.3610566434
163.110364747370.357081267981-0.3711982912482.25128287530.02529080966570.712620264201-0.311126918604-0.1382393164240.873816512146-0.180445884726-0.02010820713-0.1912286007220.1816257020330.04018858982530.2496590890680.4041539211350.0990509335508-0.1409700302720.526898111044-0.0214008269980.6098349722519.46339446677-1.02906708578-42.0488261407
174.163082948430.787682712507-0.5547096556513.4765584294-0.3148305918244.166930431450.0634939684445-0.4515866574930.2923353869970.2315840040310.05452824248340.269120920070.1483021850980.368821643499-0.01499898921890.6385610093230.0338888436503-0.002420612361330.598112333967-0.0917252289310.50476314823853.697696443538.6118078927-1.26362743667
182.364093139250.2417630852930.8338635891980.3094762409780.9634694884813.220541125480.357125335339-0.367632123314-0.1628793548180.0877361240062-0.164626942455-0.01967144355380.200162717944-0.228934053751-0.188273455750.605841900715-0.0587747537083-0.01985129853240.591552463567-0.01505823798820.49639337740147.843608910929.1847756385-9.10573966927
193.313764310120.8763185762-0.1879270626185.48869173188-0.5815728545928.414795736560.006066502403620.034630995876-0.338399738992-0.738754993355-0.293561408852-1.001047380880.5143524868150.9573302407020.2469075878760.524494891140.02060654971290.09197555455440.587670793393-0.1007066483650.64748772820760.924244179524.7377224571-12.8289388281
204.02715760967-0.7899537679981.814480590711.864948761870.7437428218553.411932641740.1050356769090.2288466353520.176916969578-0.2243475097250.0899323048689-0.238013840069-0.2038467843270.214868028218-0.2109950416970.465745918123-0.03707084081480.03249948509020.559258020184-0.007900065024520.41355936336555.375981565434.6897916527-12.1451775058
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 61 through 70 )AA61 - 701 - 10
22chain 'A' and (resid 71 through 121 )AA71 - 12111 - 61
33chain 'A' and (resid 122 through 151 )AA122 - 15162 - 91
44chain 'A' and (resid 152 through 177 )AA152 - 17792 - 117
55chain 'A' and (resid 178 through 189 )AA178 - 189118 - 129
66chain 'A' and (resid 190 through 207 )AA190 - 207130 - 147
77chain 'B' and (resid 1 through 46 )BC1 - 461 - 46
88chain 'B' and (resid 47 through 60 )BC47 - 6047 - 60
99chain 'B' and (resid 61 through 90 )BC61 - 9061 - 90
1010chain 'B' and (resid 91 through 105 )BC91 - 10591 - 105
1111chain 'C' and (resid 16 through 27 )CD16 - 271 - 12
1212chain 'C' and (resid 28 through 38 )CD28 - 3813 - 23
1313chain 'C' and (resid 39 through 66 )CD39 - 6624 - 43
1414chain 'C' and (resid 67 through 83 )CD67 - 8344 - 60
1515chain 'C' and (resid 84 through 96 )CD84 - 9661 - 73
1616chain 'C' and (resid 97 through 112 )CD97 - 11274 - 89
1717chain 'D' and (resid 1 through 82 )DE1 - 821 - 30
1818chain 'D' and (resid 83 through 118 )DE83 - 11831 - 66
1919chain 'D' and (resid 119 through 130 )DE119 - 13067 - 78
2020chain 'D' and (resid 131 through 196 )DE131 - 19679 - 144

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