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- PDB-9rts: Crystal structure of BRAF:MEK1(pS222) complex with asymmetric dim... -

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Basic information

Entry
Database: PDB / ID: 9rts
TitleCrystal structure of BRAF:MEK1(pS222) complex with asymmetric dimer interface bound to ADP
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
ADENOSINE-5'-DIPHOSPHATE / 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: 2.3 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
A: Dual specificity mitogen-activated protein kinase kinase 1
C: Serine/threonine-protein kinase B-raf
B: Serine/threonine-protein kinase B-raf
D: Dual specificity mitogen-activated protein kinase kinase 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)139,99018
Polymers137,8464
Non-polymers2,14514
Water2,576143
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)68.034, 68.147, 291.742
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 64 through 128 or resid 130...
d_2ens_1(chain "D" and (resid 64 through 102 or resid 106...
d_1ens_2(chain "B" and (resid 446 through 574 or resid 576...
d_2ens_2(chain "C" and (resid 446 through 574 or resid 576...

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_1LYSLYSGLYGLYAA64 - 1283 - 67
d_12ens_1TYRTYRLEULEUAA130 - 18069 - 119
d_13ens_1GLUGLUGLYGLYAA182 - 213121 - 152
d_14ens_1ILEILELEULEUAA216 - 332155 - 271
d_15ens_1PHEPHELEULEUAA334 - 381273 - 320
d_21ens_1LYSLYSGLUGLUDD64 - 1023 - 41
d_22ens_1ALAALAGLYGLYDD106 - 12845 - 67
d_23ens_1TYRTYRLEULEUDD130 - 18069 - 119
d_24ens_1GLUGLUCYSCYSDD182 - 277121 - 216
d_25ens_1PROPROLEULEUDD307 - 332246 - 271
d_26ens_1PHEPHELEULEUDD334 - 381273 - 320
d_11ens_2SERSERHISHISBC446 - 5745 - 133
d_12ens_2ASPASPILEILEBC576 - 582135 - 141
d_13ens_2LEULEUSERSERBC584 - 602143 - 161
d_14ens_2GLUGLUSERSERBC611 - 657170 - 216
d_15ens_2ILEILEASNASNBC659 - 660218 - 219
d_16ens_2ARGARGLYSLYSBC662 - 699221 - 258
d_17ens_2ARGARGPROPROBC701 - 708260 - 267
d_18ens_2ILEILESERSERBC710 - 722269 - 281
d_19ens_2ADPADPADPADPBL901
d_110ens_2CACACACABM902
d_21ens_2SERSERHISHISCB446 - 5745 - 133
d_22ens_2ASPASPILEILECB576 - 582135 - 141
d_23ens_2LEULEUSERSERCB584 - 657143 - 216
d_24ens_2ILEILEASNASNCB659 - 660218 - 219
d_25ens_2ARGARGLYSLYSCB662 - 699221 - 258
d_26ens_2ARGARGPROPROCB701 - 708260 - 267
d_27ens_2ILEILESERSERCB710 - 722269 - 281
d_28ens_2ADPADPADPADPCI901
d_29ens_2CACACACACJ902

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(0.907718693202, 0.373425475436, 0.191311756847), (0.388872144911, -0.919967345661, -0.0493815535306), (0.157560239035, 0.119220372471, -0.980286322389)-1.29873452832, -37.1399913008, 114.313100959
2given(0.955003157986, 0.265732341445, 0.131739481351), (0.267106764921, -0.963638112339, 0.00745416536642), (0.128929997946, 0.0280697552109, -0.991256346498)-3.33700709266, -37.9480140842, 113.039828034

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Components

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Protein , 2 types, 4 molecules ADCB

#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: 36808.250 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: Escherichia coli (E. coli)
References: UniProt: Q02750, mitogen-activated protein kinase kinase
#2: 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.: 2
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

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Non-polymers , 5 types, 157 molecules

#3: Chemical
ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE


Mass: 427.201 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C10H15N5O10P2 / Feature type: SUBJECT OF INVESTIGATION / Comment: ADP, energy-carrying molecule*YM
#4: Chemical
ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 8 / 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.: 1 / Source method: obtained synthetically / Formula: C3H8O3
#6: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Na
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 143 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY
Has protein modificationY

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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: 2.45 Å3/Da / Density % sol: 49.86 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 6% PEG20K/PEG550MME, 0.1 M Tris pH8.7, 100 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: Dec 11, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.3→49.75 Å / Num. obs: 48275 / % possible obs: 78.8 % / Redundancy: 6.7 % / Biso Wilson estimate: 55.85 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.055 / Net I/σ(I): 16.9
Reflection shellResolution: 2.3→2.48 Å / Rmerge(I) obs: 1.317 / Mean I/σ(I) obs: 1.4 / Num. unique obs: 510 / CC1/2: 0.541

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Processing

Software
NameVersionClassification
PHENIX1.20_4459refinement
XDSdata reduction
STARANISOdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.3→49.75 Å / SU ML: 0.3247 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 33.2966
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.253 1996 4.13 %
Rwork0.2107 46279 -
obs0.2125 48275 78.83 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 84.78 Å2
Refinement stepCycle: LAST / Resolution: 2.3→49.75 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8890 0 123 143 9156
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00389267
X-RAY DIFFRACTIONf_angle_d0.747212519
X-RAY DIFFRACTIONf_chiral_restr0.04761361
X-RAY DIFFRACTIONf_plane_restr0.00551587
X-RAY DIFFRACTIONf_dihedral_angle_d13.95053531
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS1.80906415567
ens_2d_2CBX-RAY DIFFRACTIONTorsion NCS1.91298266717
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.3-2.360.371790.4913201X-RAY DIFFRACTION4.87
2.36-2.420.4553380.4076941X-RAY DIFFRACTION22.75
2.42-2.50.4297750.34611670X-RAY DIFFRACTION40.72
2.5-2.580.35291060.30552480X-RAY DIFFRACTION60.17
2.58-2.670.33441510.29973467X-RAY DIFFRACTION83.36
2.67-2.770.33441630.27883880X-RAY DIFFRACTION94
2.77-2.90.2811740.27834093X-RAY DIFFRACTION98.55
2.9-3.050.36751790.28744143X-RAY DIFFRACTION99.54
3.05-3.250.31461830.25544184X-RAY DIFFRACTION99.48
3.25-3.50.2851770.23594130X-RAY DIFFRACTION99.1
3.5-3.850.2461800.2024158X-RAY DIFFRACTION98.61
3.85-4.40.22491830.16494229X-RAY DIFFRACTION100
4.4-5.550.18691840.1654274X-RAY DIFFRACTION99.84
5.55-49.750.22271940.18964429X-RAY DIFFRACTION98.45
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)
15.14196824845-0.298583918634-0.1280966222495.48819915327-0.2461695091913.804474319460.0942599443455-1.2940779724-0.8707306516950.733533244532-0.3612175806541.048621805520.242218223081-0.8815123533310.1841639705750.712733996265-0.1142441392770.0992899392131.46809171330.33574825391.1501105185-20.3729115096-38.366539841415.4450313157
23.355871122061.17117361539-0.9506658540265.610514875-0.3047634930773.192201762680.108770630272-0.743041008538-0.724599772350.276545718389-0.01391986733930.60032822340.339469843591-0.5600828895660.00704758587770.261811061738-0.04475754661950.01935829672520.7211169323060.05408151761870.561026830073-9.94706150538-33.82480151134.43110434117
30.816842853374-1.46452460437-1.238671367783.581573897851.620619511492.25852897871-0.3677585302511.08472360012-0.5929124761050.240402163375-0.3494283711380.8778350546640.887971694091-1.916967519950.5198962350750.599540708499-0.1884238364490.04754923654321.09456698476-0.09775039919890.643639880156-11.6634671538-21.096227693117.6961687661
42.39344376321-0.949866063479-0.4436078584451.747552535530.1136669571211.80539039523-0.0459122648815-0.240973450322-0.1420382600670.0672593288659-0.00410231540049-0.02521705909540.1268763540110.2308030442510.05293764352540.157073217389-0.01067742429910.01753138022670.643046120255-0.01091470009080.3878244103022.96251973872-22.95889300531.12729707033
53.52694338731-0.05521924092081.429625473057.48675343079-0.005871125744637.21223278524-0.0977090571515-0.7000368772940.1036521342190.5214559455910.4376570451750.561644911537-0.147958934569-1.36243327257-0.3856690671670.4784728648690.0687586087375-0.07977294704270.7164999315670.1707318265050.387414370022-16.036308758-11.65125284362.6883554561
68.289179320330.6100706951072.886162504416.654059193970.4514284653748.34735582569-0.6342292954-1.269009178351.252039168991.082766381990.673580517588-0.36525968302-0.575339979312-1.01950676119-0.07056022735090.6305282925050.127310660417-0.1458676398260.454943964125-0.01570399909280.486588610771-9.3927789259-13.354958528770.6586220507
71.30190828796-0.007986870452290.3155657975491.91291269761-0.9463190064855.209560212320.285857257952-0.297169337513-0.253811702985-0.4261043788410.633376636940.8014134803391.24584773299-2.36227039761-0.06631858321040.699874120286-0.610601991991-0.3393253194890.6116258312630.3314313702590.618431909969-17.4557232694-28.932302633368.8580843457
83.80348827246-1.65904346628-1.304151561716.46701453499-2.840037151582.51878226709-0.0685949091905-0.4950930818090.3622664682390.01129409233890.13673518541-0.5773089831860.1193933359320.178168174655-0.2048552743470.512118836297-0.101856229297-0.1638285255050.3787140356250.02455272756940.505563838998-6.30044617703-25.98958605279.5579894853
91.558243241180.2876022660880.2357312616332.75164905459-0.1768993749122.143717958640.0389801413956-0.200584997358-0.398308584853-0.4403654572860.5053021051460.456000510761.45485440835-1.1134217821-0.1497646220290.948185901217-0.461034638356-0.2935183360010.4954496609210.2967041560510.573318970151-11.3146154151-39.957317797682.96493122
106.249539367834.320869661385.932784270647.92722930161.869477762756.68477785420.916864913480.417321966229-1.04226764059-0.3266752262420.579796974445-0.2396301003761.45155380551-0.178607208704-1.031418387951.37892800354-0.193928884513-0.01251522949670.5997449229410.1126655316950.734428892093-10.4852055749-30.209454787847.0748826818
119.045825924132.231565880320.7132821127534.20667814783-2.825926325672.527438523780.01833529411861.11603876248-1.16053320015-0.5233424074480.200909568533-0.8867146453971.90005146628-1.01734927086-0.2392811504471.39675817127-0.475314780416-0.3388577575080.6037673655620.0577286023190.805408176058-13.0793394964-30.344262199643.1257006075
122.741494914810.764800478551.132501699384.56847674887-1.520570850386.799185919210.258876165090.315611245947-0.5131811766260.1689205340650.1446380415530.1399878571230.58550483906-0.895207406237-0.308741520980.441653328071-0.070557589854-0.01879850693270.427566249916-0.03186959529520.252535366463-14.2633971786-15.62325987342.6395227926
131.798251951281.253929423542.944907127137.039556167150.3967025929848.77272147337-0.1431236768430.130743110591-0.33996902430.1475370454520.167197615278-0.6721283824480.292923205650.928323179358-0.08498683047150.2963665198930.0209705315004-0.06416708109790.3697951362370.02506822033020.294177238764-5.15101164424-11.551919468334.9211227512
143.546086037230.186447372860.6213362121163.222720537070.1885671979585.744277469410.007170067419490.0392882855470.497838138470.1972765628620.02704663156470.249841122418-1.63175214454-0.8140817111410.02089035741670.5558218227830.1455564978020.01042152146860.4506269432820.09905405564840.358291333837-14.0734899439-0.11967838995829.3780924099
155.19684319869-1.179358667251.240014869773.269850179710.7607633969020.6585221853760.2240427240291.354737383571.16949200308-1.24285172830.1945610066111.41405163784-1.01883074961-1.816672739290.08180506569781.139749255060.475754018981-0.1284570445941.877956128850.6039771243521.5990588668-28.2823947033-4.561083979587.7246436771
163.64953347474-0.5412395520591.648386403066.973341726940.9364293406075.29875519121-0.407194818467-0.1719732903641.09688487584-0.07953367248610.2651652305461.18361963407-0.217300234785-1.552782082230.16563773310.8491979987420.4037537989350.08307952167361.660807948660.376082115811.38184340206-32.2800302368-14.602837784393.8442823189
175.8471331911-1.14421120929-0.7594363885314.030532199-0.2467664739644.02073437265-0.242338013469-1.039988279631.733985441761.183879205810.839565688350.289993305428-1.10112775001-0.551685270473-0.4195482100571.266982076590.5936871175660.2055005709221.07957535294-0.118041972941.52698370853-16.8037169798-7.46968064594108.557169347
181.58366672267-2.01376635732.056088131523.87696211722-1.308063659883.960306438530.0387738172972-0.7278989084181.43592208140.4479559258550.6191726789441.33604099563-0.593446633683-0.938747062723-0.1988157077271.041583496310.6045125458240.3248607862961.161052155570.2808218079171.45678319381-21.4664105589-12.0935915464105.58388484
191.49489002438-1.41747111548-1.912999503662.36934686872.747419398763.29284915336-0.0715785733237-0.07743166329741.24448444020.2117236953670.0886921513719-0.431751873493-0.729088691712-1.564337852620.1387896428321.077940476370.258671995942-0.1341856116941.291799606670.1963128641651.14253367974-20.2569261143-18.94510511695.4904465617
209.191800662642.52247151890.7289302004879.5500310277-0.09369387905727.3829392817-0.179898970189-0.7724438847981.098724110320.5375017120970.4258612160791.46530743804-0.830885630392-1.04288724449-0.2821033760950.6963815224970.339008955585-0.04587176628570.6838969815730.03896976434210.599638228643-11.1960268422-21.6312408729106.808317276
216.396851992964.586754825983.683797961544.923935966080.8330182891028.6678903929-0.71883177778-0.481871786251.61501682284-0.2726606132430.180971898388-0.39984095713-2.030435940731.503496244980.53578624091.18046872884-0.0438980403634-0.09683780481280.887113230531-0.2878054164651.165687868185.83737738499-11.9990661215104.650037009
224.378822355870.563787988509-2.385724424746.078808315772.735396203912.8495747791-0.0101396535011-0.9039743109510.7079614881080.3166538116910.294036934917-1.13269628239-1.322368344170.289573307483-0.1706570577570.9166796619170.191268048897-0.1922120174530.474210503825-0.1271627418780.588086119441-0.233107204216-21.1063242111107.142299494
233.655539161410.64290047076-0.3151130560543.560679647951.029282423840.5781493310660.159316275013-1.194148750221.613852344281.322101677420.3267243118140.148034296477-1.29518879959-0.639685610564-0.4727897149521.631544638680.5418423639330.1331635969481.3609709815-0.3501183468811.17075725137-11.5375324174-10.3988390935117.032323616
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 63 through 120 )AA63 - 1201 - 52
22chain 'A' and (resid 121 through 209 )AA121 - 20953 - 141
33chain 'A' and (resid 210 through 229 )AA210 - 229142 - 161
44chain 'A' and (resid 230 through 383 )AA230 - 383162 - 286
55chain 'C' and (resid 442 through 478 )CF442 - 4781 - 37
66chain 'C' and (resid 479 through 507 )CF479 - 50738 - 66
77chain 'C' and (resid 508 through 592 )CF508 - 59267 - 151
88chain 'C' and (resid 593 through 621 )CF593 - 621152 - 172
99chain 'C' and (resid 622 through 722 )CF622 - 722173 - 273
1010chain 'B' and (resid 446 through 469 )BJ446 - 4691 - 24
1111chain 'B' and (resid 470 through 491 )BJ470 - 49125 - 46
1212chain 'B' and (resid 492 through 570 )BJ492 - 57047 - 125
1313chain 'B' and (resid 571 through 634 )BJ571 - 634126 - 189
1414chain 'B' and (resid 635 through 722 )BJ635 - 722190 - 277
1515chain 'D' and (resid 64 through 87 )DO64 - 871 - 21
1616chain 'D' and (resid 88 through 143 )DO88 - 14322 - 77
1717chain 'D' and (resid 144 through 183 )DO144 - 18378 - 117
1818chain 'D' and (resid 184 through 203 )DO184 - 203118 - 137
1919chain 'D' and (resid 204 through 224 )DO204 - 224138 - 156
2020chain 'D' and (resid 225 through 258 )DO225 - 258157 - 190
2121chain 'D' and (resid 259 through 309 )DO259 - 309191 - 214
2222chain 'D' and (resid 310 through 331 )DO310 - 331215 - 236
2323chain 'D' and (resid 332 through 381 )DO332 - 381237 - 286

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