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- PDB-9axh: Crystal structure of KSR1/MEK1 complex heterotetramer with NST-628 -

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Basic information

Entry
Database: PDB / ID: 9axh
TitleCrystal structure of KSR1/MEK1 complex heterotetramer with NST-628
Components
  • Dual specificity mitogen-activated protein kinase kinase 1
  • Kinase suppressor of Ras 1
KeywordsTRANSFERASE / Inhibitor / complex / SIGNALING PROTEIN
Function / homology
Function and homology information


regulation of MAP kinase activity / epithelial cell proliferation involved in lung morphogenesis / positive regulation of endodermal cell differentiation / negative regulation of homotypic cell-cell adhesion / negative regulation of hypoxia-induced intrinsic apoptotic signaling pathway / regulation of vascular associated smooth muscle contraction / mitogen-activated protein kinase kinase / Golgi inheritance / placenta blood vessel development / MAP-kinase scaffold activity ...regulation of MAP kinase activity / epithelial cell proliferation involved in lung morphogenesis / positive regulation of endodermal cell differentiation / negative regulation of homotypic cell-cell adhesion / negative regulation of hypoxia-induced intrinsic apoptotic signaling pathway / regulation of vascular associated smooth muscle contraction / mitogen-activated protein kinase kinase / Golgi inheritance / placenta blood vessel development / MAP-kinase scaffold activity / positive regulation of muscle contraction / regulation of axon regeneration / cerebellar cortex formation / labyrinthine layer development / melanosome transport / type B pancreatic cell proliferation / Signaling by MAP2K mutants / vesicle transport along microtubule / positive regulation of axonogenesis / positive regulation of Ras protein signal transduction / regulation of Golgi inheritance / mitogen-activated protein kinase kinase kinase binding / central nervous system neuron differentiation / triglyceride homeostasis / trachea formation / Negative feedback regulation of MAPK pathway / regulation of early endosome to late endosome transport / regulation of stress-activated MAPK cascade / Frs2-mediated activation / MAPK3 (ERK1) activation / ERBB2-ERBB3 signaling pathway / regulation of neurotransmitter receptor localization to postsynaptic specialization membrane / face development / endodermal cell differentiation / MAP kinase kinase activity / Bergmann glial cell differentiation / positive regulation of ATP biosynthetic process / thyroid gland development / Uptake and function of anthrax toxins / positive regulation of protein serine/threonine kinase activity / protein kinase activator activity / Schwann cell development / response to axon injury / keratinocyte differentiation / neuron projection morphogenesis / 14-3-3 protein binding / ERK1 and ERK2 cascade / myelination / protein serine/threonine/tyrosine kinase activity / positive regulation of autophagy / dendrite cytoplasm / insulin-like growth factor receptor signaling pathway / response to glucocorticoid / MAP3K8 (TPL2)-dependent MAPK1/3 activation / thymus development / protein serine/threonine kinase activator activity / Signal transduction by L1 / cell motility / positive regulation of transcription elongation by RNA polymerase II / RAF activation / Signaling by high-kinase activity BRAF mutants / MAP2K and MAPK activation / small GTPase binding / ruffle membrane / neuron differentiation / chemotaxis / Negative regulation of MAPK pathway / Signaling by RAF1 mutants / Signaling by moderate kinase activity BRAF mutants / Paradoxical activation of RAF signaling by kinase inactive BRAF / Signaling downstream of RAS mutants / cellular senescence / Signaling by BRAF and RAF1 fusions / late endosome / MAPK cascade / regulation of cell population proliferation / heart development / response to oxidative stress / protein tyrosine kinase activity / scaffold protein binding / cell cortex / perikaryon / microtubule / Ras protein signal transduction / early endosome / positive regulation of ERK1 and ERK2 cascade / non-specific serine/threonine protein kinase / protein kinase activity / positive regulation of MAPK cascade / postsynaptic density / positive regulation of cell migration / ciliary basal body / negative regulation of cell population proliferation / axon / negative regulation of gene expression / protein serine kinase activity / focal adhesion / intracellular membrane-bounded organelle / protein serine/threonine kinase activity / centrosome
Similarity search - Function
Kinase suppressor RAS 1, N-terminal helical hairpin / Kinase suppressor RAS 1, N-terminal helical hairpin superfamily / Kinase suppressor RAS 1 N-terminal helical hairpin / : / : / Zinc finger phorbol-ester/DAG-type signature. / Zinc finger phorbol-ester/DAG-type profile. / Protein kinase C conserved region 1 (C1) domains (Cysteine-rich domains) / Protein kinase C-like, phorbol ester/diacylglycerol-binding domain / C1-like domain superfamily ...Kinase suppressor RAS 1, N-terminal helical hairpin / Kinase suppressor RAS 1, N-terminal helical hairpin superfamily / Kinase suppressor RAS 1 N-terminal helical hairpin / : / : / Zinc finger phorbol-ester/DAG-type signature. / Zinc finger phorbol-ester/DAG-type profile. / Protein kinase C conserved region 1 (C1) domains (Cysteine-rich domains) / Protein kinase C-like, phorbol ester/diacylglycerol-binding domain / C1-like domain superfamily / Sterile alpha motif/pointed domain superfamily / Serine-threonine/tyrosine-protein kinase, catalytic domain / Protein tyrosine and serine/threonine kinase / Serine/threonine-protein kinase, active site / Serine/Threonine protein kinases active-site signature. / 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
: / PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / Dual specificity mitogen-activated protein kinase kinase 1 / Kinase suppressor of Ras 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.81 Å
AuthorsQuade, B. / Huang, X.
Funding support1items
OrganizationGrant numberCountry
Not funded
CitationJournal: Cancer Discov / Year: 2024
Title: The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Authors: Meagan B Ryan / Bradley Quade / Natasha Schenk / Zhong Fang / Marshall Zingg / Steven E Cohen / Brooke M Swalm / Chun Li / Ayşegül Özen / Chaoyang Ye / Maria Stella Ritorto / Xin Huang / ...Authors: Meagan B Ryan / Bradley Quade / Natasha Schenk / Zhong Fang / Marshall Zingg / Steven E Cohen / Brooke M Swalm / Chun Li / Ayşegül Özen / Chaoyang Ye / Maria Stella Ritorto / Xin Huang / Arvin C Dar / Yongxin Han / Klaus P Hoeflich / Michael Hale / Margit Hagel /
Abstract: Alterations in the RAS-MAPK signaling cascade are common across multiple solid tumor types and are a driver for many cancers. NST-628 is a potent pan-RAF-MEK molecular glue that prevents the ...Alterations in the RAS-MAPK signaling cascade are common across multiple solid tumor types and are a driver for many cancers. NST-628 is a potent pan-RAF-MEK molecular glue that prevents the phosphorylation and activation of MEK by RAF, overcoming the limitations of traditional RAS-MAPK inhibitors and leading to deep durable inhibition of the pathway. Cellular, biochemical, and structural analyses of RAF-MEK complexes show that NST-628 engages all isoforms of RAF and prevents the formation of BRAF-CRAF heterodimers, a differentiated mechanism from all current RAF inhibitors. With a potent and durable inhibition of the RAF-MEK signaling complex as well as high intrinsic permeability into the brain, NST-628 demonstrates broad efficacy in cellular and patient-derived tumor models harboring diverse MAPK pathway alterations, including orthotopic intracranial models. Given its functional and pharmacokinetic mechanisms that are differentiated from previous therapies, NST-628 is positioned to make an impact clinically in areas of unmet patient need. Significance: This study introduces NST-628, a molecular glue having differentiated mechanism and drug-like properties. NST-628 treatment leads to broad efficacy with high tolerability and central nervous system activity across multiple RAS- and RAF-driven tumor models. NST-628 has the potential to provide transformative clinical benefits as both monotherapy and vertical combination anchor.
History
DepositionMar 6, 2024Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 17, 2024Provider: repository / Type: Initial release
Revision 1.1Jul 10, 2024Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.title

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Dual specificity mitogen-activated protein kinase kinase 1
B: Dual specificity mitogen-activated protein kinase kinase 1
C: Kinase suppressor of Ras 1
D: Kinase suppressor of Ras 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)137,30017
Polymers134,0684
Non-polymers3,23213
Water18010
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area13610 Å2
ΔGint-119 kcal/mol
Surface area45970 Å2
MethodPISA
Unit cell
Length a, b, c (Å)249.870, 67.080, 74.400
Angle α, β, γ (deg.)90.000, 90.250, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z
#4: -x+1/2,y+1/2,-z

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Components

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Protein , 2 types, 4 molecules ABCD

#1: Protein Dual specificity mitogen-activated protein kinase kinase 1 / MAP kinase kinase 1 / MAPKK 1 / MKK1 / ERK activator kinase 1 / MAPK/ERK kinase 1 / MEK 1


Mass: 34575.836 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: MAP2K1, MEK1, PRKMK1 / Production host: Homo sapiens (human)
References: UniProt: Q02750, mitogen-activated protein kinase kinase
#2: Protein Kinase suppressor of Ras 1


Mass: 32458.354 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: KSR1, KSR / Production host: Homo sapiens (human)
References: UniProt: Q8IVT5, non-specific serine/threonine protein kinase

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Non-polymers , 6 types, 23 molecules

#3: Chemical ChemComp-A1AHE / N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide


Mass: 488.464 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C22H18F2N4O5S / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical
ChemComp-ANP / PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER


Mass: 506.196 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C10H17N6O12P3 / Comment: AMP-PNP, energy-carrying molecule analogue*YM
#5: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#6: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C2H6O2
#7: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 10 / Source method: isolated from a natural source / Formula: H2O

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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: 2.33 Å3/Da / Density % sol: 47.1 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop / pH: 7 / Details: 0.1M SPG buffer pH 7.0, 25% w/v PEG 1500

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.97629 Å
DetectorType: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Jul 6, 2023
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97629 Å / Relative weight: 1
ReflectionResolution: 2.81→52.24 Å / Num. obs: 30392 / % possible obs: 99.9 % / Redundancy: 6.9 % / Biso Wilson estimate: 85.77 Å2 / Rmerge(I) obs: 0.051 / Net I/σ(I): 18
Reflection shellResolution: 2.81→2.91 Å / Rmerge(I) obs: 0.67 / Num. unique obs: 2553

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
XDSdata scaling
PHASERphasing
REFMAC5refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.81→52.24 Å / SU ML: 0.3919 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 27.4532
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2533 1567 5.17 %
Rwork0.2031 28758 -
obs0.2057 30325 99.8 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 92.53 Å2
Refinement stepCycle: LAST / Resolution: 2.81→52.24 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8241 0 202 10 8453
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00418619
X-RAY DIFFRACTIONf_angle_d0.62711730
X-RAY DIFFRACTIONf_chiral_restr0.04271318
X-RAY DIFFRACTIONf_plane_restr0.00481488
X-RAY DIFFRACTIONf_dihedral_angle_d14.94493004
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.81-2.90.41351530.32222553X-RAY DIFFRACTION99.63
2.9-30.34531420.27012585X-RAY DIFFRACTION99.63
3-3.120.30491300.26452621X-RAY DIFFRACTION99.71
3.12-3.270.31491110.28332612X-RAY DIFFRACTION99.71
3.27-3.440.33061240.25312587X-RAY DIFFRACTION99.71
3.44-3.650.30271340.22672632X-RAY DIFFRACTION99.78
3.65-3.930.24681620.212612X-RAY DIFFRACTION99.93
3.93-4.330.23611550.17812583X-RAY DIFFRACTION100
4.33-4.960.22051580.17492623X-RAY DIFFRACTION100
4.96-6.240.23391610.20092635X-RAY DIFFRACTION100
6.24-52.240.22721370.17532715X-RAY DIFFRACTION99.72
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)
13.837016744371.37495524087-0.275708623953.708030848240.8093891383983.05122096133-0.175307615371.55860151088-0.418002203003-0.4572361255630.288620737115-0.213864821751-0.5309428252860.0970752288358-0.1320012646411.01935393356-0.101370596444-0.03834923868091.4401803404-0.08225151978480.71440361806196.918349686815.8214246629-75.0623156426
24.75840877629-1.22155063357-0.1852098813155.571323803461.791427059434.28177114224-0.2997197802360.79533240874-0.0351835575396-0.2893000642980.2676851809970.494524819273-0.779336193496-0.615982347006-0.02170946822820.7888108982350.0389961170705-0.08278411760680.9734467195530.09380306821310.5250921817190.179703322417.270206449-63.49458798
35.60004112074-1.290361759871.455439522143.444745974650.7381507937968.615147714690.0406266792461.02693950131-0.157504517355-0.01162896420610.1830578809070.02904817039280.1344234096140.539647301156-0.2107501371080.650637810776-0.1154564113180.06829896370110.749759801772-0.08844833273820.448979427156104.54400346912.7970392693-62.898951649
42.08607909391-3.49508923466-3.944262279667.968559807555.728847908228.32950696739-0.664900110512-1.72508814307-0.8109297739160.0002108915570490.5282703173440.924574227890.5344741378610.006328158758860.2140418375720.8335604347080.05359329502260.00965995345410.9447011294430.1280622853480.75275143574995.618070128720.582889435-53.1852794157
54.45934168497-0.277877338718-1.343713469811.02397188274-0.1660265149488.2821140526-0.263420490467-0.105934083154-0.3605099884660.3175195591810.0826952379711-0.1918177491240.5565408008451.027011606610.1803994410810.7217361800710.09820593047940.02765898332880.702562090914-0.08889194344680.628920565808108.54768849410.8530807132-44.5101586135
64.58733556478-1.27787638656-1.300892035371.566632488342.261809904087.51543032362-0.03128777541770.613452745556-0.4809007038120.01364487833420.429455169264-0.3555845394420.8784437530471.88057753554-0.4504957342840.8196790001130.1582553881370.06264068181391.20604389477-0.1976888889060.938317546891119.7174834788.68973154838-56.225610182
75.461838782050.2305548236261.168205957094.28845917091.0518577617.42629566678-0.0960439021848-0.241649145716-0.4550732631590.0755696546978-0.1384299665550.180360370355-0.0804945388907-0.412996296940.1434344302540.5408171090880.103667152343-0.01125329162870.497794545701-0.01287388957230.6107581587118.061688447.540228336363.68939022868
84.65311148380.3224105088910.6149300140584.162425455192.665903793845.716007451720.0190864052551-0.0816592596758-0.36261509183-0.254960410857-0.0954295059546-0.161235714015-0.0585017649105-0.3398686475470.06436127356870.4906325797850.09516662812370.02350041642480.4948656849390.1164391854460.55180216414416.587170203911.87174720449.38694042691
90.5906044495831.177162154880.2854000819142.763219531780.7460029751960.540788924945-0.1900112525820.0763079006433-0.498685407031-0.263933563590.338536360225-0.289917660577-0.003433700030840.324631525501-0.2039180432550.7749703285090.102901157030.1028802240490.732796849590.1199432330580.9077597987630.508412454415.623883309711.7710310301
105.3110637261-0.2243110585110.1586758047843.892621843210.8646464569431.70004719474-0.0843658377099-0.7773799599770.4286502536820.317028845308-0.0700309275972-0.0978321503113-0.523551841213-0.3509018123560.1865451773230.7115036218210.165013567820.01871721905270.637121876465-0.02465616461490.53204249987520.445946798126.538058565822.4650977417
115.187299902131.53432863559-1.76982946091.95528205622-0.5641637330890.56928299488-0.37848173771-0.184678488202-0.185588611365-0.5402053591190.296231548713-0.324589440820.6782314155440.670151390887-0.09800392623751.15632231249-0.16081040766-0.09852281306661.8724203585-0.3831605291070.91260702064766.102833295111.1914758198-38.6378571212
121.70954226784-2.12692546474-1.159676263192.682884622031.312542081381.217742719270.6964909217830.9320235345350.45918455427-0.449648117154-0.557689503781-0.392337640312-1.4758126938-0.66544806097-0.0929066924631.156153144440.1856463844560.02327787486270.9749962651630.2108352972921.0840048407548.305615533625.3967443502-19.6733885808
134.15183701121.36178727524-2.406185219113.656679919220.4395240049733.59098180011-0.154317229610.612396759661-0.530129514399-0.03523554122670.126726727062-0.2181723652910.0812522167964-0.3713857723210.03108174644770.413164127855-0.025434571062-0.04057509067090.325984799215-0.01213369863440.71140193727356.800395058812.0180761873-8.89734338879
140.3481311758890.470572416703-0.8160237778991.09001598069-1.174549551953.954839872430.0892200581920.0193861916895-0.765990427418-0.2386168218-0.5121383227460.760805201119-0.8094700805-0.5971972468730.2921691971360.8371770293840.0845029969717-0.1289473903320.8743977281090.07478043182261.0844713857841.896050782722.1828661828-7.76293425046
155.77787682676-0.581784896066-2.246949021990.7718484743551.336087874672.78045286835-0.08417071940810.1582540463210.2536225454320.2513152821730.186359191770.496866765818-0.188295717322-0.548137706931-0.03276981351480.524416078130.0190744340579-0.02351385407560.3753059039210.1126198893490.67223742028646.774597926220.06461400674.19572588023
166.90704015936-3.55263724426-2.276320787172.75720342351.798223794911.1219034305-0.583265590458-1.25559822510.4701584141881.174840862050.668979843408-0.4212652344280.5298336776240.5482460051490.05102172136710.9470285972410.145908627851-0.1992795558480.618409823420.03519001426120.86925163420856.614480785115.97187578514.669316322
174.74795962582-0.953790976465-1.414197737172.435758558230.8624163604214.464356997850.0218528025439-0.01084539966080.8083964940870.2383187670920.209623218029-0.956048909607-0.09392081442920.422379009603-0.2172862601140.614192023073-0.0445537748207-0.1074429792910.485553152894-0.02915628733190.92048228748963.246475193521.50935464885.93112188484
186.149254086740.373613069308-3.43457548332.84883574632-1.738564545345.709265089790.1950382018640.6367763164860.0406081360044-0.4454660891760.3033768695090.230854011834-0.152267442907-0.315517018277-0.1992868965291.04912109405-0.275213937807-0.1476418907411.24476505734-0.06354285798261.208103030645.61876728410.8684114152-21.7097063523
193.1724635962-0.947499185285-1.200602773891.71125470584-0.5528314933120.945087016995-0.460556803554-0.530946569771-0.2813241531711.18594199599-0.2682785084690.5309506062320.316606612141-0.3706628119910.5599398174891.22044452187-0.155893994670.05224721805910.993975801139-0.007460029479190.9456881604970.66069396484.13135394463-28.8171367158
208.66233763917-1.19662223383-2.993090287670.978632771074-0.3051100533276.743497063470.07508579497121.156385974060.757550904662-0.3458656417420.02534711744720.4990315395460.0204060708969-0.541442468075-0.09834093669220.6314706431240.0343063791885-0.1032256314450.7337448082490.07079697940720.58779420211674.943971539120.4858651551-27.0594010483
218.82089448611-1.13312021913-5.477462281290.649445473309-0.1736965140314.56311515914-0.3341905712771.18034351993-0.483186065691-0.4810891078340.0308149216602-0.253303506734-0.385974301417-0.9877461513040.5802452142661.11786433059-0.3914449676890.03480535311581.07737823602-0.1702896607120.80689917239282.780940200610.3368235171-34.4851672325
225.81354017657-0.0553594821382-3.241989073930.457680777605-0.482385230962.55271552616-0.2614659459340.536399212775-0.311759834643-0.3101227162330.109802784159-0.07893282985540.250342211504-0.1692204013710.05503233334920.810227816669-0.0193540815284-0.01895342518170.666996340596-0.0873550858080.53195393184491.991492604916.3960717015-31.643386359
238.66576942449-0.741082843856-3.902415405841.761793235411.827863820146.075774219420.380147015192-1.665515525120.666551093626-0.06580577411290.04672317071950.282070685469-0.3578764120321.09098739509-0.3906007940740.735441897773-0.0857597721036-0.003956507526450.840768662682-0.162091897170.4638929399893.842306605524.535835834-20.3479075002
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11(chain A and resseq 43:73)AA43 - 735 - 35
22(chain A and resseq 74:120)AA74 - 12036 - 82
33(chain A and resseq 121:206)AA121 - 20683 - 168
44(chain A and resseq 207:222)AA207 - 222169 - 184
55(chain A and resseq 223:319)AA223 - 319185 - 238
66(chain A and resseq 320:382)AA320 - 381239 - 300
77(chain B and resseq 38:92)BC38 - 921 - 55
88(chain B and resseq 93:206)BC93 - 20656 - 169
99(chain B and resseq 207:241)BC207 - 241170 - 204
1010(chain B and resseq 242:382)BC242 - 381205 - 300
1111(chain C and resseq 613:635)CE614 - 6351 - 22
1212(chain C and resseq 636:663)CE636 - 66323 - 48
1313(chain C and resseq 664:748)CE664 - 74849 - 133
1414(chain C and resseq 749:772)CE749 - 772134 - 150
1515(chain C and resseq 773:834)CE773 - 834151 - 212
1616(chain C and resseq 835:859)CE835 - 859213 - 237
1717(chain C and resseq 860:881)CE860 - 881238 - 259
1818(chain D and resseq 613:635)DF613 - 6351 - 23
1919(chain D and resseq 636:663)DF636 - 66324 - 44
2020(chain D and resseq 664:748)DF664 - 74845 - 129
2121(chain D and resseq 749:772)DF749 - 772130 - 140
2222(chain D and resseq 773:834)DF773 - 834141 - 202
2323(chain D and resseq 835:881)DF835 - 881203 - 249

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