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- PDB-9rtq: Crystal structure of BRAF:MEK1 complex with symmetric dimer inter... -

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Basic information

Entry
Database: PDB / ID: 9rtq
TitleCrystal structure of BRAF:MEK1 complex with symmetric dimer interface bound to AMPPNP
Components
  • Dual specificity mitogen-activated protein kinase kinase 1
  • Serine/threonine-protein kinase B-raf
KeywordsSIGNALING PROTEIN / Kinase / Complex
Function / homology
Function and homology information


negative regulation of homotypic cell-cell adhesion / regulation of vascular associated smooth muscle contraction / negative regulation of hypoxia-induced intrinsic apoptotic signaling pathway / mitogen-activated protein kinase kinase / melanosome transport / Golgi inheritance / MAP kinase scaffold activity / Signalling to p38 via RIT and RIN / positive regulation of muscle contraction / ARMS-mediated activation ...negative regulation of homotypic cell-cell adhesion / regulation of vascular associated smooth muscle contraction / negative regulation of hypoxia-induced intrinsic apoptotic signaling pathway / mitogen-activated protein kinase kinase / melanosome transport / Golgi inheritance / MAP kinase scaffold activity / Signalling to p38 via RIT and RIN / positive regulation of muscle contraction / ARMS-mediated activation / Signaling by MAP2K mutants / SHOC2 M1731 mutant abolishes MRAS complex function / Gain-of-function MRAS complexes activate RAF signaling / positive regulation of D-glucose transmembrane transport / establishment of protein localization to membrane / vesicle transport along microtubule / regulation of Golgi inheritance / mitogen-activated protein kinase kinase kinase binding / triglyceride homeostasis / positive regulation of protein serine/threonine kinase activity / regulation of early endosome to late endosome transport / Negative feedback regulation of MAPK pathway / regulation of stress-activated MAPK cascade / Frs2-mediated activation / MAPK3 (ERK1) activation / ERBB2-ERBB3 signaling pathway / MAP kinase kinase activity / regulation of neurotransmitter receptor localization to postsynaptic specialization membrane / positive regulation of ATP biosynthetic process / neuromuscular junction development / ERK1 and ERK2 cascade / response to axon injury / Uptake and function of anthrax toxins / positive regulation of peptidyl-serine phosphorylation / MAP kinase kinase kinase activity / protein kinase activator activity / Schwann cell development / postsynaptic modulation of chemical synaptic transmission / myelination / insulin-like growth factor receptor signaling pathway / animal organ morphogenesis / protein serine/threonine/tyrosine kinase activity / cellular response to calcium ion / neuron projection morphogenesis / response to glucocorticoid / positive regulation of autophagy / protein serine/threonine kinase activator activity / dendrite cytoplasm / Signal transduction by L1 / MAP3K8 (TPL2)-dependent MAPK1/3 activation / positive regulation of transcription elongation by RNA polymerase II / RAF activation / Signaling by high-kinase activity BRAF mutants / Spry regulation of FGF signaling / MAP2K and MAPK activation / cellular senescence / epidermal growth factor receptor signaling pathway / chemotaxis / small GTPase binding / 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 / MAPK cascade / Negative regulation of MAPK pathway / Signaling by BRAF and RAF1 fusions / late endosome / neuron differentiation / protein tyrosine kinase activity / ciliary basal body / response to oxidative stress / cell body / scaffold protein binding / cell cortex / microtubule / early endosome / perikaryon / positive regulation of ERK1 and ERK2 cascade / protein kinase activity / protein phosphorylation / non-specific serine/threonine protein kinase / postsynapse / postsynaptic density / neuron projection / positive regulation of cell migration / negative regulation of cell population proliferation / negative regulation of gene expression / protein serine kinase activity / axon / focal adhesion / protein serine/threonine kinase activity / centrosome / positive regulation of gene expression / calcium ion binding / negative regulation of apoptotic process / positive regulation of DNA-templated transcription / protein-containing complex binding / perinuclear region of cytoplasm / glutamatergic synapse / Golgi apparatus
Similarity search - Function
: / Raf-like Ras-binding domain / Raf-like Ras-binding / Ras-binding domain (RBD) profile. / Raf-like Ras-binding domain / Diacylglycerol/phorbol-ester binding / Phorbol esters/diacylglycerol binding domain (C1 domain) / : / Zinc finger phorbol-ester/DAG-type signature. / Zinc finger phorbol-ester/DAG-type profile. ...: / Raf-like Ras-binding domain / Raf-like Ras-binding / Ras-binding domain (RBD) profile. / Raf-like Ras-binding domain / Diacylglycerol/phorbol-ester binding / Phorbol esters/diacylglycerol binding domain (C1 domain) / : / 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 / Protein tyrosine and serine/threonine kinase / Serine-threonine/tyrosine-protein kinase, catalytic domain / Ubiquitin-like domain superfamily / 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 / DI(HYDROXYETHYL)ETHER / Serine/threonine-protein kinase B-raf / Dual specificity mitogen-activated protein kinase kinase 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.91 Å
AuthorsKondo, Y. / Notbohm, J. / Camacho, I.N. / Nagy-Davidescu, G. / Mason, T. / Muhle, J. / Standfuss, J. / Perica, T.
Funding support Switzerland, European Union, 6items
OrganizationGrant numberCountry
Swiss Cancer LeagueKFS-5737-02-2023 Switzerland
Innosuisse42711.1 IP-LSEuropean Union
Swiss National Science FoundationCRSII5_213507 Switzerland
Swiss National Science Foundation310030_207462 Switzerland
Swiss National Science Foundation320030_227566 Switzerland
Other governmentFK-23-043
CitationJournal: To Be Published
Title: Structural insights into phosphorylation of the MEK1 activation loop by a BRAF asymmetric dimer
Authors: Kondo, Y. / Notbohm, J. / Camacho, I.N. / Nagy-Daivescu, G. / Mason, T. / Muhle, J. / Standfuss, J. / Perica, T.
History
DepositionJul 3, 2025Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jul 15, 2026Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
B: Serine/threonine-protein kinase B-raf
C: Serine/threonine-protein kinase B-raf
D: Dual specificity mitogen-activated protein kinase kinase 1
A: Dual specificity mitogen-activated protein kinase kinase 1
F: Serine/threonine-protein kinase B-raf
G: Serine/threonine-protein kinase B-raf
H: Dual specificity mitogen-activated protein kinase kinase 1
E: Dual specificity mitogen-activated protein kinase kinase 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)280,60533
Polymers275,6008
Non-polymers5,00525
Water54030
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)87.631, 163.871, 201.097
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
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails (eV)
d_1ens_1(chain "A" and (resid 63 through 181 or resid 183 through 221 or resid 226 through 381))
d_2ens_1(chain "D" and (resid 63 through 181 or resid 183...
d_3ens_1(chain "E" and (resid 63 through 181 or resid 183 through 221 or resid 226 through 381))
d_4ens_1(chain "H" and (resid 63 through 181 or resid 183 through 274 or resid 308 through 381))
d_1ens_2(chain "B" and (resid 449 through 582 or resid 584...
d_2ens_2(chain "C" and (resid 449 through 582 or resid 584...
d_3ens_2(chain "F" and (resid 449 through 582 or resid 584...
d_4ens_2(chain "G" and (resid 449 through 582 or resid 584 through 681 or resid 683 through 902))

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_1LEULEUARGARGAD63 - 1813 - 121
d_12ens_1LYSLYSASNASNAD183 - 221123 - 161
d_13ens_1THRTHRLEULEUAD226 - 381166 - 321
d_21ens_1LEULEUARGARGDC63 - 1813 - 121
d_22ens_1LYSLYSASNASNDC183 - 221123 - 161
d_23ens_1THRTHRMETMETDC226 - 274166 - 214
d_24ens_1METMETLEULEUDC308 - 381248 - 321
d_31ens_1LEULEUARGARGEH63 - 1813 - 121
d_32ens_1LYSLYSASNASNEH183 - 221123 - 161
d_33ens_1THRTHRLEULEUEH226 - 381166 - 321
d_41ens_1LEULEUARGARGHG63 - 1813 - 121
d_42ens_1LYSLYSMETMETHG183 - 274123 - 214
d_43ens_1METMETLEULEUHG308 - 381248 - 321
d_11ens_2ASPASPILEILEBA449 - 5828 - 141
d_12ens_2LEULEULYSLYSBA584 - 601143 - 160
d_13ens_2SERSERVALVALBA614 - 681173 - 240
d_14ens_2SERSERSERSERBA683 - 722242 - 281
d_15ens_2ANPANPANPANPBI901
d_21ens_2ASPASPILEILECB449 - 5828 - 141
d_22ens_2LEULEULYSLYSCB584 - 601143 - 160
d_23ens_2SERSERVALVALCB614 - 681173 - 240
d_24ens_2SERSERSERSERCB683 - 722242 - 281
d_25ens_2ANPANPANPANPCL901
d_31ens_2ASPASPILEILEFE449 - 5828 - 141
d_32ens_2LEULEULYSLYSFE584 - 601143 - 160
d_33ens_2SERSERVALVALFE614 - 681173 - 240
d_34ens_2SERSERSERSERFE683 - 722242 - 281
d_35ens_2ANPANPANPANPFW901
d_41ens_2ASPASPILEILEGF449 - 5828 - 141
d_42ens_2LEULEUVALVALGF584 - 681143 - 240
d_43ens_2SERSERSERSERGF683 - 722242 - 281
d_44ens_2ANPANPANPANPGZ901

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(0.511100921259, -0.604613780616, 0.610915726248), (-0.440832874467, -0.79455476153, -0.417551323454), (0.737863283459, -0.0559008695686, -0.672631301461)25.1215613132, 7.97109859905, -57.8112536864
2given(-0.998051752977, -0.0115241595489, -0.0613179592395), (0.012291866308, -0.999850539757, -0.0121576383168), (-0.0611686880787, -0.0128876643914, 0.998044237349)-2.51480300238, 0.229828399466, 0.85593675793
3given(-0.56864794679, 0.603344189111, -0.559120114177), (0.436114550086, 0.797452548392, 0.416981453145), (0.69745509663, -0.00672476985766, -0.716596933886)-24.5299381495, -7.94721339238, -60.0459439521
4given(0.565423998809, -0.563965028008, 0.601863064787), (-0.570558671965, -0.794387936427, -0.208352125749), (0.595616070481, -0.225590898848, -0.770941141035)23.4143504716, 9.77778503877, -52.1240556311
5given(-0.997301134411, 0.00810508833743, -0.0729709178039), (-0.00763017834823, -0.999947873261, -0.00678462513653), (-0.073022104054, -0.00620953322813, 0.997310991625)-3.79294133999, -0.0484163169191, 0.305785843643
6given(-0.615299025409, 0.575415170386, -0.538799119358), (0.570794006418, 0.796630592844, 0.198931899861), (0.543692294931, -0.185140703885, -0.818609557846)-23.1357086638, -9.84070557622, -53.9603109718

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Components

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Protein , 2 types, 8 molecules BCFGDAHE

#1: Protein
Serine/threonine-protein kinase B-raf / Proto-oncogene B-Raf / p94 / v-Raf murine sarcoma viral oncogene homolog B1


Mass: 32114.729 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Details: BRAF V600E mutant kinase domain with 14 mutations to improve soluble protein expression
Source: (gene. exp.) Homo sapiens (human) / Gene: BRAF, BRAF1, RAFB1 / Production host: Escherichia coli (E. coli)
References: UniProt: P15056, non-specific serine/threonine protein kinase
#2: 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: 36785.320 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: MAP2K1, MEK1, PRKMK1 / Production host: Escherichia coli (E. coli)
References: UniProt: Q02750, mitogen-activated protein kinase kinase

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Non-polymers , 6 types, 55 molecules

#3: Chemical
ChemComp-ANP / PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER


Mass: 506.196 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C10H17N6O12P3 / Feature type: SUBJECT OF INVESTIGATION / Comment: AMP-PNP, energy-carrying molecule analogue*YM
#4: Chemical
ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: Ca / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C3H8O3
#6: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Cl
#7: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C4H10O3
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 30 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY
Has protein modificationN

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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: 2.62 Å3/Da / Density % sol: 53.05 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 10% PEG4000, 0.1 mM NaMES pH6.3, and 200 mM calcium acetate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Oct 14, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.91→48.06 Å / Num. obs: 50678 / % possible obs: 78.85 % / Redundancy: 6.8 % / Biso Wilson estimate: 90.12 Å2 / CC1/2: 1 / Rmerge(I) obs: 0.08 / Net I/σ(I): 14.7
Reflection shellResolution: 2.91→3.02 Å / Rmerge(I) obs: 1.404 / Mean I/σ(I) obs: 1.4 / Num. unique obs: 885 / CC1/2: 0.583

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Processing

Software
NameVersionClassification
PHENIX1.20_4459refinement
XDSdata reduction
STARANISOdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.91→48.06 Å / SU ML: 0.3507 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 32.3167
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.25 1999 3.95 %
Rwork0.205 48614 -
obs0.2075 50613 78.88 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 107.78 Å2
Refinement stepCycle: LAST / Resolution: 2.91→48.06 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms17373 0 292 30 17695
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.004118065
X-RAY DIFFRACTIONf_angle_d0.683724392
X-RAY DIFFRACTIONf_chiral_restr0.04822681
X-RAY DIFFRACTIONf_plane_restr0.0063079
X-RAY DIFFRACTIONf_dihedral_angle_d13.27516861
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2DAX-RAY DIFFRACTIONTorsion NCS1.69475133102
ens_1d_3DAX-RAY DIFFRACTIONTorsion NCS0.899648632926
ens_1d_4DAX-RAY DIFFRACTIONTorsion NCS1.7249151336
ens_2d_2ABX-RAY DIFFRACTIONTorsion NCS0.901579862713
ens_2d_3ABX-RAY DIFFRACTIONTorsion NCS0.586064509155
ens_2d_4ABX-RAY DIFFRACTIONTorsion NCS0.964124956287
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.91-2.980.2971150.3553387X-RAY DIFFRACTION8.96
2.98-3.070.3706600.33671434X-RAY DIFFRACTION33.05
3.07-3.160.3522890.33662167X-RAY DIFFRACTION49.57
3.16-3.260.31291120.30492732X-RAY DIFFRACTION62.68
3.26-3.370.33521310.29583182X-RAY DIFFRACTION72.81
3.37-3.510.31941450.2733530X-RAY DIFFRACTION81.29
3.51-3.670.32531680.24654083X-RAY DIFFRACTION93.99
3.67-3.860.27081800.22234369X-RAY DIFFRACTION99.87
3.86-4.10.26291800.2074398X-RAY DIFFRACTION100
4.1-4.420.22781810.18324407X-RAY DIFFRACTION99.96
4.42-4.870.21891810.16114407X-RAY DIFFRACTION99.96
4.87-5.570.21611820.18194415X-RAY DIFFRACTION99.87
5.57-7.010.27131840.21584481X-RAY DIFFRACTION99.7
7.01-48.060.21371910.18224622X-RAY DIFFRACTION98.75
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)
18.667586836252.68651302846-0.9599532282012.79471879552-3.325840523874.839914663150.0560516848621-1.264116093630.1376881958511.53948475633-0.9895882907691.224385537980.340568369759-0.8267410968950.5070246056581.3611150374-0.1450894750230.7867114329581.1837248334-0.2579380973581.02018547016-29.62918.165-23.476
26.06324503283-4.804821469290.3482441433246.866544524350.9169350698013.12022871543-0.213811524563-0.6068737235270.5785385911.06205382965-0.2011223406780.970651171263-0.0406137822891-1.542391358720.4154111070620.8650120318860.08581187699730.531890334760.943554344348-0.1989713427811.10679475081-32.2326.626-27.914
37.234462800561.44861970341-1.301525158222.85848746033-0.5837393736254.57960769738-0.220407775356-0.296298061678-0.4794624886740.713857102904-0.09505560459130.6142170540480.311777820443-0.4108662385280.2266211463070.4646395221780.02099566135090.207842547930.432682447147-0.05207270698240.556592119986-15.05323.98-32.801
47.46892145526-2.897160828550.6581600338986.687420162920.5118110865686.92188237519-0.373218504312-0.374961565644-0.1024605082161.384384365340.2466728264841.11577812418-0.453245724541-0.584866064510.08752763526620.575079567411-0.05680182190220.330507917380.571300102679-0.01081031732590.511400442994-18.78331.445-33.054
59.281536274562.91562731655-3.125706693676.061261453243.542319862045.200595415810.5612322876490.2160116958581.11958069492-1.02042535053-0.3057422635381.06763229211-1.36003236543-0.234584330377-0.0403346181270.7840547503510.1216930499910.1995794619140.5844600370240.114706868490.576823344899-17.57747.231-33.802
64.98895566331.20161499337-0.5326732311798.199497679083.215233194846.508048533810.363358794915-0.2745534535590.2567020362060.872922461460.0181848074566-0.313083162526-0.1907752162480.10689316738-0.3725233845690.3519454407810.01208363455290.04238274587380.4079193817350.02424961964330.223752195556-7.1943.139-29.938
74.729862654581.503052577762.109356974587.46350650407-0.1621631680896.75637817764-0.005818810027370.409199256294-0.0122596952474-0.0844609317826-0.157205258815-0.278503049527-0.4425784611360.3969140064510.1366187040980.416857686133-0.01984098704710.09842403204170.5824864657480.1049068102280.287350557923-2.08341.684-39.421
81.01871556324-1.934952444421.859094934289.435374711-1.594028795083.997692893020.4163034301081.98100664237-0.153320111216-0.517178716301-0.738428207005-1.815889296810.590534183490.1098083498460.1439131576470.4673517294880.1056929335990.1359907441640.784380865333-0.1142724019920.496192346186-2.98529.403-47.563
98.702801184295.278658251921.410088221219.09523950183-0.4748712444.38194564687-0.6223157885421.94861863366-0.849247536105-1.653463665320.5187159869310.346484164362-0.273298076994-0.05960536938020.0792034281690.604405150112-0.09918467222320.01890591040581.11657982922-0.2739865497290.880984175802-22.9114.576-55.844
100.189704161421-0.4099751951810.586364813564.59817090587-1.258942873264.168468928020.1705073697360.538094895757-0.3716563964680.244722853872-0.2800030413230.1326854563790.06890321058040.4870666994040.08421008249220.295144830113-0.006295665072510.2171130020410.767512406179-0.2060897847490.889199953221-20.674.099-42.674
111.889443362160.137830656631-0.4127026304484.279339490891.392898846811.913999253620.0662662722138-0.424719395546-0.438019668021.39936501763-0.3129048261911.192173889490.863695077888-0.5648953439830.274291746640.743779451353-0.1166283383210.4059470895070.739128435074-0.1207447985821.2114991918-25.228-10.78-37.615
125.18687498516-0.460076981128-0.3710984038868.884650345772.344056228244.84156428697-0.119799167806-0.4783515947931.33604756217-0.8430774224250.0703855450538-0.189001006243-0.8816144817920.1119996597980.1208299503170.6403597208020.0326341406551-0.0548338118450.555201223354-0.2184017290480.660175168229-9.408-18.755-70.439
133.35843687725-1.60349060414-0.6630879628442.648676955770.3004477230647.379523506950.0305756829510.290582741695-0.31258829313-0.464660755295-0.3303897430051.458464464140.203035239074-0.7843091112440.2833233212830.585903041552-0.0780238993617-0.2065820219120.808949611055-0.3121340564611.20535441896-26.906-28.406-67.896
149.10015297118-1.11071817985-5.137202791823.619490182080.2666341466169.03384111117-0.281700969212-0.241717030075-0.2799385841870.7871614093140.3555066650740.5039086500640.2621613035190.238150066629-0.03534774349331.170631063110.02878270345420.1290154760520.8212897380780.1502559973060.480258167541-13.55633.045-3.412
153.15188925914-1.13209288468-0.4117078551694.1683750392-1.05712232123.85552224687-0.11002542308-0.2769345811350.1627976149450.974907777660.05529394888630.275386681629-0.746795285143-0.09657151096190.03769406114061.49982982192-0.07095562987460.2900706318470.917351922899-0.04442669617620.482437036699-14.72951.042-4.871
164.122369036581.63511879192-1.566458929426.888429261666.055960637687.843403902330.2844413435770.08554711426011.327494827810.551425390708-0.1723040075051.01454815615-1.68456182195-1.17087407716-0.1468259445091.900139050280.3341748232150.5461555722210.7379487181510.1428939406460.8961688877-20.45966.471-14.682
174.110254574120.9382269970432.039595883942.32670936084-0.02588850165291.22717293998-0.354486076455-1.694280097090.4184293580151.56945155871-0.02218839712580.868706587814-1.83195949934-0.1974674503590.3605105512122.26985206446-0.133860177040.5180634826181.47557048139-0.2149680210070.839793397372-22.43562.0135.607
187.53884966134-0.65120253474-2.231074608982.457697720240.9767672151183.12622974922-0.0720962572212-1.31689196029-0.1056479317711.27988482295-0.328484215217-1.02459148099-0.2331402258911.899781024640.2228668928250.87245384567-0.0664272999096-0.5648046222291.008486903260.2419379992581.2398288648729.428-17.514-22.688
194.86233025798-2.7781617132-5.286967232091.702593914853.082089638065.9210061343-0.662585511596-0.355395827820.01938964474691.951299146170.229755942886-1.04799409231-0.4245387906941.532565583620.4321868645151.26072029961-0.137938157655-0.5878919206160.9744881631640.01026942044360.93617721716327.238-20.564-20.159
207.16303205077-0.6843616349515.281534620032.354746324021.770302385196.15489980191-1.08671583256-1.68902070286-1.232420291350.3159623402530.00559032177398-0.535277497930.7881156005120.5285728217570.1917150583020.6394742564720.255471912564-0.2693712276171.084395719880.4562319715651.4359124988231.956-30.855-29.618
215.167728895371.443485412090.8542287462263.967683874110.2979801913345.79579661305-0.312531024565-0.2657191542940.3732170042830.623548828006-0.1741503712-0.612154903121-0.3603827039470.01910239671420.3690659803290.4257493123910.0969416317249-0.1750825246720.3728456332480.05450786858160.47379339224913.871-23.672-31.447
229.17868384079-3.199693453-1.861475570117.368897701590.04105901965382.83868153177-0.000461384567603-0.0913377448015-0.39180187050.954707499077-0.432360036099-1.119601324440.4130906478020.6007573801970.2607153872180.57116043701-0.00176265280736-0.2306562901410.5926432680810.07662935509810.52426890163217.613-30.71-31.556
233.444074795092.25863956823-0.8646841083044.15818767682-5.253089501478.408248065130.425387846709-1.27495702935-1.14889216548-0.491432913961-0.593303888852-0.8653478957781.238268730650.8070496100050.1603340771950.6713922377810.195562019564-0.1220897612920.6180859575730.03198581168320.69315427796216.402-46.707-32.189
243.18623953927-0.173501059015-0.05482580270656.01589500253-2.25058100783.68661336270.0503355252474-0.552597376135-0.358219208830.702250357561-0.169627567773-0.3524433855920.3961994557060.3022988649460.07916751616490.4812742817040.00966373653561-0.1224681585190.5459121290160.04122597556380.3215252295926.014-42.924-29.326
252.5114822582.14462043901-2.84947488816.653858787070.322013011586.87011928344-0.1989466085130.4713334459730.0574725678675-0.7335397741930.2148049264210.6756440904820.785730672539-0.3678327638860.0360664045420.6428072435390.0362841861133-0.1436565117040.68473101501-0.1506935599550.2765329879681.286-41.181-38.885
263.86032890799-1.76025998388-3.800655549979.928980606426.254930201655.993178098411.004810744022.237854998870.604235540812-1.94555881875-1.424863958811.55992937771-0.769140300698-0.2036130882970.2401293674760.8563004086080.118107723514-0.1228412839320.8829975862760.06730950474590.3896722141462.947-29.068-47.151
276.097637347934.22174401096-2.722111350978.0323939024-0.3283522211715.06389590869-0.3920977497581.594846648110.555086855945-1.913506803280.28496237476-1.119757478870.2302016113470.5097796570840.1298521795060.807436661026-0.07616944019630.114374481620.9703503146010.2362241318920.90719942280323.324-14.287-53.863
280.59239448068-0.0288524803705-1.688265686547.099687220032.227580069335.473037281030.06206352056660.5679685197850.06736609592640.244177263075-0.3686001607980.0223502796895-0.098125199519-0.3263968813050.3034894452710.28914384785-0.0703434493025-0.1716479251420.7838854306620.1834775910870.95656044954118.543-5.122-40.088
291.524024016830.4730953398631.065649842675.76667119679-1.290276263572.62127715201-0.09198876016720.2266312293630.4346297529010.309324895939-0.257555876984-1.13242751482-0.414932396340.4818009250220.2850275966330.468081802584-0.147713181683-0.2534263741550.6695210466930.1806816407871.0264380081224.23911.098-40.936
304.547125179592.11599120433-0.8501662836247.035006620272.284665201543.210793584180.0849291425281-1.036263662440.3756501236551.78952226094-0.122255971787-0.605988818562-0.01285598537181.180655640910.1362734953961.03628072299-0.182456439238-0.545767278140.7621214846040.1479740598041.0866869583324.076.497-28.769
316.049596387110.257228090004-0.4015910937019.22662818488-2.179174426976.11360204384-0.287727954996-0.47046429514-1.40034725797-1.003096617020.1559824592560.2723445675050.784155255319-0.1226937658530.1810777218230.733171286904-0.01024260255650.06498960418690.5608917743860.1845252947830.67785883919610.69818.86-69.897
322.67558613995-1.053280550741.057023049453.168553371670.2571806278787.888339931220.0688463514886-0.04230048954970.311805711513-0.306526561993-0.352182565511-1.43105132408-0.6035583364950.5891877169860.192828422590.576283841619-0.1350176192190.1450017551710.7523217890810.2595511996881.1230576566228.04229.358-66.031
336.31881628961-2.242505045654.049996439093.283807317280.9543593897569.03418698036-0.938656840558-0.01352298445180.7122882009660.9165657892440.321592394257-0.3893713212980.09033787374870.4280012859690.652651447741.292145719710.0235513095102-0.2370611464110.945397337775-0.01727793846790.51576397113810.435-34.533-1.354
341.767545827270.0443080927510.5744094236810.5594428287380.2855114320083.23699672372-0.143177677616-0.822511251501-0.463116370421.26211179570.186863905818-0.223055689121.482839171960.25037573534-0.3182032726362.647934473370.191471174622-0.5205766136291.157614719490.0629822493724-0.050689448223714.839-53.6031.255
351.323031029-2.69822537298-1.897706893566.046392763132.808040597055.115588104010.176726602889-0.07398313738490.05211608295280.788733308982-0.47814750761-0.05835736056150.940820254676-0.2132506538090.2970541442261.61276272363-0.118851311082-0.1320613649890.900750252157-0.03053957985330.5131851008116.921-49.696-14.179
361.102448437361.75764776598-1.402737043152.75099798828-2.455498710385.905638077020.365761990196-0.313709348833-1.167722917561.72233909374-0.559373406195-1.475246357322.309016933221.18254231633-1.108766191363.081749444380.417592198354-0.9437774230610.9545564903180.1038298660610.52347298886519.158-64.745-12.597
371.30322710197-0.583397231529-0.2181265651880.2387850582310.09783759590840.02869807223040.0505949313198-1.77193226098-0.8208323175361.50464259062-0.484646241348-0.3896313261631.481178506710.199621867268-0.0005793159487022.94602825242-0.0533111056436-0.6113259621641.338020010930.3992499260151.0616923070514.544-64.5562.168
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN B AND RESID 449:475 )B449 - 475
2X-RAY DIFFRACTION2( CHAIN B AND RESID 476:507 )B476 - 507
3X-RAY DIFFRACTION3( CHAIN B AND RESID 508:569 )B508 - 569
4X-RAY DIFFRACTION4( CHAIN B AND RESID 570:616 )B570 - 616
5X-RAY DIFFRACTION5( CHAIN B AND RESID 617:634 )B617 - 634
6X-RAY DIFFRACTION6( CHAIN B AND RESID 635:671 )B635 - 671
7X-RAY DIFFRACTION7( CHAIN B AND RESID 672:706 )B672 - 706
8X-RAY DIFFRACTION8( CHAIN B AND RESID 707:722 )B707 - 722
9X-RAY DIFFRACTION9( CHAIN C AND RESID 449:507 )C449 - 507
10X-RAY DIFFRACTION10( CHAIN C AND RESID 508:621 )C508 - 621
11X-RAY DIFFRACTION11( CHAIN C AND RESID 622:722 )C622 - 722
12X-RAY DIFFRACTION12( CHAIN D AND RESID 62:206 )D62 - 206
13X-RAY DIFFRACTION13( CHAIN D AND RESID 207:382 )D207 - 382
14X-RAY DIFFRACTION14( CHAIN A AND RESID 62:120 )A62 - 120
15X-RAY DIFFRACTION15( CHAIN A AND RESID 121:258 )A121 - 258
16X-RAY DIFFRACTION16( CHAIN A AND RESID 259:351 )A259 - 351
17X-RAY DIFFRACTION17( CHAIN A AND RESID 352:382 )A352 - 382
18X-RAY DIFFRACTION18( CHAIN F AND RESID 448:469 )F448 - 469
19X-RAY DIFFRACTION19( CHAIN F AND RESID 470:491 )F470 - 491
20X-RAY DIFFRACTION20( CHAIN F AND RESID 492:507 )F492 - 507
21X-RAY DIFFRACTION21( CHAIN F AND RESID 508:569 )F508 - 569
22X-RAY DIFFRACTION22( CHAIN F AND RESID 570:615 )F570 - 615
23X-RAY DIFFRACTION23( CHAIN F AND RESID 616:634 )F616 - 634
24X-RAY DIFFRACTION24( CHAIN F AND RESID 635:671 )F635 - 671
25X-RAY DIFFRACTION25( CHAIN F AND RESID 672:706 )F672 - 706
26X-RAY DIFFRACTION26( CHAIN F AND RESID 707:722 )F707 - 722
27X-RAY DIFFRACTION27( CHAIN G AND RESID 449:507 )G449 - 507
28X-RAY DIFFRACTION28( CHAIN G AND RESID 508:587 )G508 - 587
29X-RAY DIFFRACTION29( CHAIN G AND RESID 588:686 )G588 - 686
30X-RAY DIFFRACTION30( CHAIN G AND RESID 687:722 )G687 - 722
31X-RAY DIFFRACTION31( CHAIN H AND RESID 62:206 )H62 - 206
32X-RAY DIFFRACTION32( CHAIN H AND RESID 207:381 )H207 - 381
33X-RAY DIFFRACTION33( CHAIN E AND RESID 63:143 )E63 - 143
34X-RAY DIFFRACTION34( CHAIN E AND RESID 144:206 )E144 - 206
35X-RAY DIFFRACTION35( CHAIN E AND RESID 207:241 )E207 - 241
36X-RAY DIFFRACTION36( CHAIN E AND RESID 242:340 )E242 - 340
37X-RAY DIFFRACTION37( CHAIN E AND RESID 341:379 )E341 - 379

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