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- PDB-8buo: Structure of DDB1 bound to DS24-engaged CDK12-cyclin K -

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Basic information

Entry
Database: PDB / ID: 8buo
TitleStructure of DDB1 bound to DS24-engaged CDK12-cyclin K
Components
  • Cyclin-K
  • Cyclin-dependent kinase 12
  • DNA damage-binding protein 1
KeywordsLIGASE / kinase / cyclin / ubiquitin / degrader
Function / homology
Function and homology information


: / Recognition of DNA damage by PCNA-containing replication complex / cyclin K-CDK12 complex / cyclin K-CDK13 complex / DNA Damage Recognition in GG-NER / Formation of TC-NER Pre-Incision Complex / nuclear cyclin-dependent protein kinase holoenzyme complex / Dual Incision in GG-NER / Dual incision in TC-NER / Formation of Incision Complex in GG-NER ...: / Recognition of DNA damage by PCNA-containing replication complex / cyclin K-CDK12 complex / cyclin K-CDK13 complex / DNA Damage Recognition in GG-NER / Formation of TC-NER Pre-Incision Complex / nuclear cyclin-dependent protein kinase holoenzyme complex / Dual Incision in GG-NER / Dual incision in TC-NER / Formation of Incision Complex in GG-NER / Gap-filling DNA repair synthesis and ligation in TC-NER / regulation of MAP kinase activity / cyclin/CDK positive transcription elongation factor complex / negative regulation by host of viral genome replication / Neddylation / positive regulation by virus of viral protein levels in host cell / epigenetic programming in the zygotic pronuclei / spindle assembly involved in female meiosis / negative regulation of stem cell differentiation / Cul4-RING E3 ubiquitin ligase complex / UV-damage excision repair / cyclin-dependent protein serine/threonine kinase activator activity / positive regulation of DNA-templated transcription, elongation / [RNA-polymerase]-subunit kinase / biological process involved in interaction with symbiont / WD40-repeat domain binding / regulation of mitotic cell cycle phase transition / Cul4A-RING E3 ubiquitin ligase complex / Cul4B-RING E3 ubiquitin ligase complex / ubiquitin ligase complex scaffold activity / regulation of cyclin-dependent protein serine/threonine kinase activity / negative regulation of reproductive process / negative regulation of developmental process / cullin family protein binding / HIV elongation arrest and recovery / Pausing and recovery of HIV elongation / RNA polymerase II transcribes snRNA genes / viral release from host cell / regulation of signal transduction / ectopic germ cell programmed cell death / proteasomal protein catabolic process / cyclin-dependent kinase / positive regulation of viral genome replication / Formation of HIV elongation complex in the absence of HIV Tat / cyclin-dependent protein serine/threonine kinase activity / RNA Polymerase II Transcription Elongation / Formation of RNA Pol II elongation complex / positive regulation of gluconeogenesis / RNA Polymerase II Pre-transcription Events / RNA polymerase II CTD heptapeptide repeat kinase activity / cyclin binding / RNA splicing / nucleotide-excision repair / TP53 Regulates Transcription of DNA Repair Genes / Recognition of DNA damage by PCNA-containing replication complex / positive regulation of transcription elongation by RNA polymerase II / SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription / DNA Damage Recognition in GG-NER / regulation of circadian rhythm / Dual Incision in GG-NER / Transcription-Coupled Nucleotide Excision Repair (TC-NER) / Formation of TC-NER Pre-Incision Complex / mRNA processing / Wnt signaling pathway / Formation of Incision Complex in GG-NER / Dual incision in TC-NER / Gap-filling DNA repair synthesis and ligation in TC-NER / positive regulation of protein catabolic process / cellular response to UV / rhythmic process / protein-macromolecule adaptor activity / Neddylation / site of double-strand break / ubiquitin-dependent protein catabolic process / proteasome-mediated ubiquitin-dependent protein catabolic process / transcription by RNA polymerase II / protein autophosphorylation / chromosome, telomeric region / damaged DNA binding / protein kinase activity / protein ubiquitination / nuclear speck / cell cycle / cell division / DNA repair / protein serine kinase activity / apoptotic process / DNA damage response / protein-containing complex binding / nucleolus / regulation of transcription by RNA polymerase II / negative regulation of apoptotic process / protein kinase binding / positive regulation of transcription by RNA polymerase II / protein-containing complex / DNA binding / extracellular space / extracellular exosome / nucleoplasm / ATP binding
Similarity search - Function
Cyclin-T2-like, C-terminal domain / Haspin like kinase domain / Cyclin, C-terminal domain / Cyclin_C / Cyclin/Cyclin-like subunit Ssn8 / Cleavage/polyadenylation specificity factor, A subunit, N-terminal / Mono-functional DNA-alkylating methyl methanesulfonate N-term / Cleavage/polyadenylation specificity factor, A subunit, C-terminal / CPSF A subunit region / Cyclin, N-terminal ...Cyclin-T2-like, C-terminal domain / Haspin like kinase domain / Cyclin, C-terminal domain / Cyclin_C / Cyclin/Cyclin-like subunit Ssn8 / Cleavage/polyadenylation specificity factor, A subunit, N-terminal / Mono-functional DNA-alkylating methyl methanesulfonate N-term / Cleavage/polyadenylation specificity factor, A subunit, C-terminal / CPSF A subunit region / Cyclin, N-terminal / Cyclin, N-terminal domain / Quinoprotein alcohol dehydrogenase-like superfamily / Cyclin-like / domain present in cyclins, TFIIB and Retinoblastoma / Cyclin-like superfamily / WD40-repeat-containing domain superfamily / Serine/threonine-protein kinase, active site / Serine/Threonine protein kinases active-site signature. / WD40/YVTN repeat-like-containing domain superfamily / Protein kinase domain / Serine/Threonine protein kinases, catalytic domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily
Similarity search - Domain/homology
Chem-RLC / Cyclin-K / DNA damage-binding protein 1 / DNA damage-binding protein 1 / Cyclin-dependent kinase 12
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.58 Å
AuthorsKozicka, Z. / Kempf, G. / Petzold, G. / Thoma, N.H.
Funding supportEuropean Union, Switzerland, 7items
OrganizationGrant numberCountry
European Research Council (ERC)666068European Union
Swiss National Science Foundation31003A_179541 Switzerland
Swiss National Science Foundation310030_301206 Switzerland
Swiss Cancer League4980-02-2020 Switzerland
Swiss National Science FoundationCRSII5_186230 Switzerland
Marie Sklodowska-Curie Actions, FragNET ITN765445European Union
Other private Switzerland
CitationJournal: Nat.Chem.Biol. / Year: 2024
Title: Design principles for cyclin K molecular glue degraders.
Authors: Kozicka, Z. / Suchyta, D.J. / Focht, V. / Kempf, G. / Petzold, G. / Jentzsch, M. / Zou, C. / Di Genua, C. / Donovan, K.A. / Coomar, S. / Cigler, M. / Mayor-Ruiz, C. / Schmid-Burgk, J.L. / ...Authors: Kozicka, Z. / Suchyta, D.J. / Focht, V. / Kempf, G. / Petzold, G. / Jentzsch, M. / Zou, C. / Di Genua, C. / Donovan, K.A. / Coomar, S. / Cigler, M. / Mayor-Ruiz, C. / Schmid-Burgk, J.L. / Haussinger, D. / Winter, G.E. / Fischer, E.S. / Slabicki, M. / Gillingham, D. / Ebert, B.L. / Thoma, N.H.
History
DepositionNov 30, 2022Deposition site: PDBE / Processing site: PDBE
Revision 1.0Sep 13, 2023Provider: repository / Type: Initial release
Revision 1.1Jan 3, 2024Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: DNA damage-binding protein 1
B: Cyclin-dependent kinase 12
C: Cyclin-K
D: DNA damage-binding protein 1
E: Cyclin-dependent kinase 12
F: Cyclin-K
G: DNA damage-binding protein 1
H: Cyclin-dependent kinase 12
I: Cyclin-K
hetero molecules


Theoretical massNumber of molelcules
Total (without water)500,40438
Polymers496,5589
Non-polymers3,84629
Water00
1
A: DNA damage-binding protein 1
B: Cyclin-dependent kinase 12
C: Cyclin-K
hetero molecules


Theoretical massNumber of molelcules
Total (without water)166,83313
Polymers165,5193
Non-polymers1,31410
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
D: DNA damage-binding protein 1
E: Cyclin-dependent kinase 12
F: Cyclin-K
hetero molecules


Theoretical massNumber of molelcules
Total (without water)166,64111
Polymers165,5193
Non-polymers1,1228
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
G: DNA damage-binding protein 1
H: Cyclin-dependent kinase 12
I: Cyclin-K
hetero molecules


Theoretical massNumber of molelcules
Total (without water)166,92914
Polymers165,5193
Non-polymers1,41011
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)249.800, 249.800, 218.078
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number152
Space group name H-MP3121
Space group name HallP312"
Symmetry operation#1: x,y,z
#2: -y,x-y,z+1/3
#3: -x+y,-x,z+2/3
#4: x-y,-y,-z+2/3
#5: -x,-x+y,-z+1/3
#6: y,x,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 1 through 393 or resid 709 through 1140))
d_2ens_1(chain "D" and (resid 1 through 393 or resid 709 through 1140))
d_3ens_1(chain "G" and (resid 1 through 393 or resid 709 through 1140))
d_1ens_2chain "B"
d_2ens_2chain "E"
d_3ens_2(chain "H" and (resid 715 through 1040 or resid 1101))
d_1ens_3chain "C"
d_2ens_3chain "F"
d_3ens_3chain "I"

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11ens_1METMETGLYGLYAA1 - 3935 - 397
d_12ens_1LYSLYSHISHISAA709 - 1140409 - 840
d_21ens_1METMETGLYGLYDD1 - 3935 - 397
d_22ens_1LYSLYSHISHISDD709 - 1140409 - 840
d_31ens_1METMETGLYGLYGG1 - 3935 - 397
d_32ens_1LYSLYSHISHISGG709 - 1140409 - 840
d_11ens_2THRTHRCYSCYSBB715 - 10397 - 331
d_12ens_2RLCRLCRLCRLCBO1101
d_21ens_2THRTHRCYSCYSEE715 - 10397 - 331
d_22ens_2RLCRLCRLCRLCEX1101
d_31ens_2THRTHRCYSCYSHH715 - 10397 - 331
d_32ens_2RLCRLCRLCRLCHGA1101
d_11ens_3THRTHRHISHISCC20 - 26724 - 271
d_21ens_3THRTHRHISHISFF20 - 26724 - 271
d_31ens_3THRTHRHISHISII20 - 26724 - 271

NCS ensembles :
ID
ens_1
ens_2
ens_3

NCS oper:
IDCodeMatrixVector
1given(-0.475732009471, -0.509248106431, 0.717178793092), (0.50806056843, 0.506493615894, 0.696662526526), (-0.718020552611, 0.695794928951, 0.0177736567515)-127.740347445, 80.0107532905, -108.172609074
2given(-0.515765574076, 0.495826512385, -0.698671555321), (-0.551424239229, 0.432010492845, 0.713651345169), (0.655680700485, 0.753341226595, 0.0505946175323)-179.468492884, -29.0590685892, 34.1220646016
3given(-0.50932622143, -0.517220933522, 0.687800338826), (0.495603186064, 0.477100256616, 0.725777395005), (-0.703536979929, 0.710533497496, 0.0133366716069)-129.495184166, 79.4668600859, -107.40925592
4given(-0.514828903444, 0.500018862102, -0.696370833479), (-0.540222180264, 0.441504320977, 0.71640346908), (0.665665979399, 0.745020182344, 0.0428220944232)-179.677163425, -28.5636302641, 34.2052853481
5given(-0.553480514583, -0.511290671513, 0.657450507036), (0.482106153685, 0.447007449966, 0.753497177336), (-0.679141352412, 0.734006940634, -0.00091353437157)-132.82849786, 80.07955101, -107.023317443
6given(-0.490012187783, 0.520078067434, -0.699576199994), (-0.524946841737, 0.464642589885, 0.713118557475), (0.69593021861, 0.716677101238, 0.0453328069496)-179.248059341, -28.7374572999, 36.8964333796

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Components

#1: Protein DNA damage-binding protein 1 / DDB p127 subunit / Damage-specific DNA-binding protein 1 / UV-damaged DNA-binding factor / DDB p127 ...DDB p127 subunit / Damage-specific DNA-binding protein 1 / UV-damaged DNA-binding factor / DDB p127 subunit / DNA damage-binding protein a / DDBa / Damage-specific DNA-binding protein 1 / HBV X-associated protein 1 / XAP-1 / UV-damaged DNA-binding factor / UV-damaged DNA-binding protein 1 / UV-DDB 1 / XPE-binding factor / XPE-BF / Xeroderma pigmentosum group E-complementing protein / XPCe


Mass: 93675.438 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: Ddb1, DDB1, XAP1 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: Q3U1J4, UniProt: Q16531
#2: Protein Cyclin-dependent kinase 12 / Cdc2-related kinase / arginine/serine-rich / CrkRS / Cell division cycle 2-related protein kinase 7 ...Cdc2-related kinase / arginine/serine-rich / CrkRS / Cell division cycle 2-related protein kinase 7 / CDC2-related protein kinase 7 / Cell division protein kinase 12 / hCDK12


Mass: 40143.328 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CDK12, CRK7, CRKRS, KIAA0904 / Production host: Trichoplusia ni (cabbage looper)
References: UniProt: Q9NYV4, cyclin-dependent kinase, [RNA-polymerase]-subunit kinase
#3: Protein Cyclin-K


Mass: 31700.471 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CCNK, CPR4 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: O75909
#4: Chemical...
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 26 / Source method: obtained synthetically / Formula: SO4
#5: Chemical ChemComp-RLC / (2~{R})-2-[[6-[(3-fluoranyl-4-pyridin-2-yl-phenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol


Mass: 449.524 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C24H28FN7O / 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: 3.93 Å3/Da / Density % sol: 68.68 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / Details: 1.47 M ammonium sulphate, 0.07 M HEPES, pH 6.8

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 1 Å
DetectorType: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: Sep 21, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3.58→216.333 Å / Num. obs: 72875 / % possible obs: 95 % / Redundancy: 21.1 % / CC1/2: 0.998 / Net I/σ(I): 10.1
Reflection shellResolution: 3.58→3.83 Å / Num. unique obs: 3645 / CC1/2: 0.329

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
Cootmodel building
STARANISOdata scaling
autoPROCdata processing
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.58→54.19 Å / SU ML: 0.3554 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 23.961
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2187 3658 5.02 %
Rwork0.1766 69148 -
obs0.1787 72806 78.71 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 166.28 Å2
Refinement stepCycle: LAST / Resolution: 3.58→54.19 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms33662 0 229 0 33891
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00634578
X-RAY DIFFRACTIONf_angle_d0.973446768
X-RAY DIFFRACTIONf_chiral_restr0.05665168
X-RAY DIFFRACTIONf_plane_restr0.00695976
X-RAY DIFFRACTIONf_dihedral_angle_d12.477812956
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS1.14473197522
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS1.1697626348
ens_2d_2BX-RAY DIFFRACTIONTorsion NCS0.939521688931
ens_2d_3BX-RAY DIFFRACTIONTorsion NCS0.998367771483
ens_3d_2CX-RAY DIFFRACTIONTorsion NCS0.686635553749
ens_3d_3CX-RAY DIFFRACTIONTorsion NCS0.69854173594
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.58-3.630.481640.32889X-RAY DIFFRACTION2.68
3.63-3.680.3387130.3224259X-RAY DIFFRACTION7.73
3.68-3.730.3007490.3084655X-RAY DIFFRACTION20.01
3.73-3.790.3892710.28971228X-RAY DIFFRACTION37
3.79-3.840.33011070.29931681X-RAY DIFFRACTION50.18
3.84-3.910.29471080.28292036X-RAY DIFFRACTION61.26
3.91-3.970.32271400.27672262X-RAY DIFFRACTION68.12
3.97-4.050.25721060.25652446X-RAY DIFFRACTION72.4
4.05-4.120.29241400.24622612X-RAY DIFFRACTION78.18
4.12-4.210.29541470.22862747X-RAY DIFFRACTION82.01
4.21-4.30.22831390.21252860X-RAY DIFFRACTION85.1
4.3-4.40.22741350.20043024X-RAY DIFFRACTION89.62
4.4-4.510.23711900.19133125X-RAY DIFFRACTION93.62
4.51-4.630.22961660.1863253X-RAY DIFFRACTION96.47
4.63-4.770.22371890.18443315X-RAY DIFFRACTION99.04
4.77-4.920.20921790.17553384X-RAY DIFFRACTION100
4.92-5.10.23771910.17613365X-RAY DIFFRACTION100
5.1-5.30.23141460.17393404X-RAY DIFFRACTION100
5.3-5.540.22981480.17753397X-RAY DIFFRACTION100
5.54-5.830.22321730.17913406X-RAY DIFFRACTION100
5.84-6.20.21551900.18813378X-RAY DIFFRACTION100
6.2-6.680.26931710.19143398X-RAY DIFFRACTION100
6.68-7.350.24422090.17873397X-RAY DIFFRACTION100
7.35-8.410.18681850.15843412X-RAY DIFFRACTION100
8.41-10.580.1611920.12323444X-RAY DIFFRACTION99.89
10.58-54.190.18371700.15313571X-RAY DIFFRACTION99.23
Refinement TLS params.

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

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
11.934858631871.1607702196-0.4132827433070.7154975288910.1176743955131.13489955105-0.109830977737-0.325591796468-0.1739149738550.157810076061-0.0005664761675-0.05940162655830.1352647424970.223848846721-0.01807938057391.815943849790.174538556734-0.366711984251.54719713667-0.02161702699191.83540217352-57.7997611046-7.7657840435227.89354174
20.946532674525-0.0378235074901-0.0908959930082.424083243290.09894733463660.307484327714-0.167497175423-0.6552005756670.4274703400810.4053866362790.211247880553-0.536836214396-0.1945027683690.0571700380791-0.005067300182751.87522298201-0.024670330062-0.3079486937371.74689632844-0.1963041890541.5180257907-73.234782814710.009581258939.8657153165
31.877223277050.228110209409-0.8267206369682.93706249339-1.189682033851.455525698670.05749487805950.1142489534050.02899429814730.09326977339110.02305420655580.0741847760303-0.0663621988887-0.1833197728490.004493064885571.62463933687-0.052550373356-0.05339295672371.3101242351-0.1376732592561.42689311448-89.067680492718.68137652822.8324618346
41.927009472-1.2542805328-0.1822540017250.725164073425-0.3127583054061.316386736630.212164082191-0.06105839674190.3191468298560.253645177701-0.00680503642865-0.551769513542-0.2971524769930.3826436471920.04130203216461.80647870332-0.134770485934-0.1664238161421.47416439297-0.2076463196581.87553988735-60.435976742429.681717186121.7302862383
51.67293882851-0.0256651462274-0.5696493306021.00839643088-0.8299670866952.051756334410.2789791147040.308404436578-0.0437489191362-0.05632653684580.178135338330.149088380614-0.689976641273-0.197442699504-0.01830212126261.72949164266-0.0674007884839-0.08706306720521.54347787171-0.1492828271961.7804736076-62.165000031231.3740359835-14.81100017
63.052956160511.13092641085-0.3122842724462.11474226933-0.7846653025621.13428122028-0.168312406718-0.3349577254430.3738754828121.442990496560.4497498387940.691456335806-1.03978933165-0.405931370679-0.06973771475541.900495090270.09769221665230.0922216423651.78995197264-0.2297717492741.57237026232-62.228347988629.8631275837-8.65373456388
71.148542845830.055751424860.06232829535291.61331807899-0.5578353542791.7361100666-0.0516421177740.0396979040819-0.703115067771-0.184933049105-0.001180804674060.0510459702427-0.358395062383-0.552338510205-0.01469172244671.79382835836-0.0625461964948-0.02236400528961.65929069016-0.2828762492521.66058838491-57.187961462912.4174122697-12.2155985183
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552.410952207270.7283802169870.1641633900431.551937227821.493007272142.104333772840.08433013095790.437664234499-0.270694065768-0.5593051075740.1032493745730.6027936589170.802750708350.3171376288490.006476752087231.952251053660.002773974352630.2007216216321.49315871415-0.1598509064321.3668348196-110.049126434-34.99675766429.38534823224
563.7863321270.6359485663082.784964827921.960216151660.8194926107172.15102466399-0.217266041348-0.996305095433-0.8864171180551.11546044102-0.0414968053672-1.438104287410.9891281532041.341170496520.00205566901122.066639219610.383744039922-0.004945477554691.594453241770.1171190043371.658643306-101.042315284-28.959441857726.4380701646
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 1 through 307 )AA1 - 3071 - 307
22chain 'A' and (resid 308 through 716 )AA308 - 716308 - 402
33chain 'A' and (resid 717 through 856 )AA717 - 856403 - 542
44chain 'A' and (resid 857 through 1140 )AA857 - 1140543 - 826
55chain 'B' and (resid 715 through 794 )BB715 - 7941 - 80
66chain 'B' and (resid 795 through 832 )BB795 - 83281 - 118
77chain 'B' and (resid 833 through 880 )BB833 - 880119 - 166
88chain 'B' and (resid 881 through 901 )BB881 - 901167 - 187
99chain 'B' and (resid 902 through 1020 )BB902 - 1020188 - 306
1010chain 'B' and (resid 1021 through 1040 )BB1021 - 1040307 - 326
1111chain 'C' and (resid 20 through 42 )CD20 - 421 - 23
1212chain 'C' and (resid 43 through 63 )CD43 - 6324 - 44
1313chain 'C' and (resid 64 through 150 )CD64 - 15045 - 131
1414chain 'C' and (resid 151 through 217 )CD151 - 217132 - 198
1515chain 'C' and (resid 218 through 243 )CD218 - 243199 - 224
1616chain 'C' and (resid 244 through 267 )CD244 - 267225 - 248
1717chain 'D' and (resid 1 through 361 )DE1 - 3611 - 361
1818chain 'D' and (resid 362 through 819 )DE362 - 819362 - 506
1919chain 'D' and (resid 820 through 1140 )DE820 - 1140507 - 827
2020chain 'E' and (resid 715 through 746 )EF715 - 7461 - 32
2121chain 'E' and (resid 747 through 768 )EF747 - 76833 - 54
2222chain 'E' and (resid 769 through 794 )EF769 - 79455 - 80
2323chain 'E' and (resid 795 through 832 )EF795 - 83281 - 118
2424chain 'E' and (resid 833 through 852 )EF833 - 852119 - 138
2525chain 'E' and (resid 853 through 880 )EF853 - 880139 - 166
2626chain 'E' and (resid 881 through 901 )EF881 - 901167 - 187
2727chain 'E' and (resid 902 through 931 )EF902 - 931188 - 217
2828chain 'E' and (resid 932 through 980 )EF932 - 980218 - 266
2929chain 'E' and (resid 981 through 1026 )EF981 - 1026267 - 312
3030chain 'E' and (resid 1027 through 1040 )EF1027 - 1040313 - 326
3131chain 'F' and (resid 20 through 42 )FH20 - 421 - 23
3232chain 'F' and (resid 43 through 106 )FH43 - 10624 - 87
3333chain 'F' and (resid 107 through 150 )FH107 - 15088 - 131
3434chain 'F' and (resid 151 through 218 )FH151 - 218132 - 199
3535chain 'F' and (resid 219 through 233 )FH219 - 233200 - 214
3636chain 'F' and (resid 234 through 243 )FH234 - 243215 - 224
3737chain 'F' and (resid 244 through 267 )FH244 - 267225 - 248
3838chain 'G' and (resid 1 through 325 )GI1 - 3251 - 325
3939chain 'G' and (resid 326 through 755 )GI326 - 755326 - 441
4040chain 'G' and (resid 756 through 819 )GI756 - 819442 - 505
4141chain 'G' and (resid 820 through 1140 )GI820 - 1140506 - 826
4242chain 'H' and (resid 715 through 751 )HJ715 - 7511 - 37
4343chain 'H' and (resid 752 through 794 )HJ752 - 79438 - 80
4444chain 'H' and (resid 795 through 832 )HJ795 - 83281 - 118
4545chain 'H' and (resid 833 through 872 )HJ833 - 872119 - 158
4646chain 'H' and (resid 873 through 890 )HJ873 - 890159 - 176
4747chain 'H' and (resid 891 through 931 )HJ891 - 931177 - 217
4848chain 'H' and (resid 932 through 980 )HJ932 - 980218 - 266
4949chain 'H' and (resid 981 through 1026 )HJ981 - 1026267 - 312
5050chain 'H' and (resid 1027 through 1044 )HJ1027 - 1044313 - 330
5151chain 'I' and (resid 20 through 42 )IL20 - 421 - 23
5252chain 'I' and (resid 43 through 63 )IL43 - 6324 - 44
5353chain 'I' and (resid 64 through 150 )IL64 - 15045 - 131
5454chain 'I' and (resid 151 through 217 )IL151 - 217132 - 198
5555chain 'I' and (resid 218 through 243 )IL218 - 243199 - 224
5656chain 'I' and (resid 244 through 267 )IL244 - 267225 - 248

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