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- PDB-7o3b: Crystal structure of the TTBK2-CEP164 complex bound to a camelid ... -

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Basic information

Entry
Database: PDB / ID: 7o3b
TitleCrystal structure of the TTBK2-CEP164 complex bound to a camelid nanobody
Components
  • Nanobody 36Z
  • Tau-tubulin kinase 2,Centrosomal protein of 164 kDa
KeywordsSTRUCTURAL PROTEIN / Centriole / Centrosome / Basal body / Ciliogenesis
Function / homology
Function and homology information


ciliary transition fiber / negative regulation of microtubule binding / negative regulation of protein localization to microtubule / cerebellar granular layer development / cerebellar granule cell precursor tangential migration / ciliary transition zone / negative regulation of microtubule depolymerization / microtubule plus-end binding / smoothened signaling pathway / tau-protein kinase activity ...ciliary transition fiber / negative regulation of microtubule binding / negative regulation of protein localization to microtubule / cerebellar granular layer development / cerebellar granule cell precursor tangential migration / ciliary transition zone / negative regulation of microtubule depolymerization / microtubule plus-end binding / smoothened signaling pathway / tau-protein kinase activity / kinesin binding / cilium assembly / Loss of Nlp from mitotic centrosomes / Loss of proteins required for interphase microtubule organization from the centrosome / Recruitment of mitotic centrosome proteins and complexes / regulation of cell migration / Recruitment of NuMA to mitotic centrosomes / Anchoring of the basal body to the plasma membrane / centriole / AURKA Activation by TPX2 / cerebellum development / ciliary basal body / tau protein binding / microtubule cytoskeleton organization / Regulation of PLK1 Activity at G2/M Transition / peptidyl-serine phosphorylation / non-specific serine/threonine protein kinase / protein kinase activity / cell cycle / cell division / intracellular membrane-bounded organelle / DNA repair / protein serine kinase activity / protein serine/threonine kinase activity / centrosome / signal transduction / extracellular space / nucleoplasm / ATP binding / nucleus / cytosol
Similarity search - Function
: / WW domain superfamily / WW/rsp5/WWP domain profile. / Domain with 2 conserved Trp (W) residues / WW domain / Protein kinase domain / Serine/Threonine protein kinases, catalytic domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Protein kinase domain profile. ...: / WW domain superfamily / WW/rsp5/WWP domain profile. / Domain with 2 conserved Trp (W) residues / WW domain / 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
Tau-tubulin kinase 2 / Centrosomal protein of 164 kDa
Similarity search - Component
Biological speciesCamelidae mixed library (mammal)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.4 Å
Authorse Silva, I.R. / van Breugel, M.
Funding support United Kingdom, 1items
OrganizationGrant numberCountry
Medical Research Council (MRC, United Kingdom)MC_UP_1201/3 United Kingdom
CitationJournal: Structure / Year: 2022
Title: Molecular mechanisms underlying the role of the centriolar CEP164-TTBK2 complex in ciliopathies.
Authors: Rosa E Silva, I. / Bino, L. / Johnson, C.M. / Rutherford, T.J. / Neuhaus, D. / Andreeva, A. / Cajanek, L. / van Breugel, M.
History
DepositionApr 1, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Sep 15, 2021Provider: repository / Type: Initial release
Revision 1.1Sep 22, 2021Group: Data collection / Database references
Category: citation / citation_author ...citation / citation_author / diffrn_source / pdbx_database_proc
Item: _citation.pdbx_database_id_PubMed / _citation.title / _diffrn_source.pdbx_synchrotron_site
Revision 1.2Jan 19, 2022Group: Data collection / Database references / Category: citation / diffrn_source
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.year / _diffrn_source.pdbx_synchrotron_site
Revision 1.3Dec 21, 2022Group: Database references / Category: citation / Item: _citation.page_last
Revision 1.4Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Nanobody 36Z
B: Nanobody 36Z
C: Nanobody 36Z
G: Tau-tubulin kinase 2,Centrosomal protein of 164 kDa
H: Tau-tubulin kinase 2,Centrosomal protein of 164 kDa
I: Tau-tubulin kinase 2,Centrosomal protein of 164 kDa


Theoretical massNumber of molelcules
Total (without water)84,4516
Polymers84,4516
Non-polymers00
Water1,874104
1
A: Nanobody 36Z
G: Tau-tubulin kinase 2,Centrosomal protein of 164 kDa


  • defined by author
  • Evidence: isothermal titration calorimetry, CEP164 (1-104) interaction with the proline-rich TTBK2 peptide (1074-1087) (chain G) through its WW domain was confirmed by ITC. CEP164(1-104) interaction ...Evidence: isothermal titration calorimetry, CEP164 (1-104) interaction with the proline-rich TTBK2 peptide (1074-1087) (chain G) through its WW domain was confirmed by ITC. CEP164(1-104) interaction with the nanobody 36Z was not confirmed experimentally. However, the nanobody interacts with CEP164 N-terminal region through its CDR3 loop, as expected.
  • 28.2 kDa, 2 polymers
  • Search similar-shape structures of this assembly by Omokage search (details)
Theoretical massNumber of molelcules
Total (without water)28,1502
Polymers28,1502
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Nanobody 36Z
H: Tau-tubulin kinase 2,Centrosomal protein of 164 kDa


  • defined by author
  • Evidence: isothermal titration calorimetry, CEP164 (1-104) interaction with the proline-rich TTBK2 peptide (1074-1087) (chain G) through its WW domain was confirmed by ITC. CEP164(1-104) interaction ...Evidence: isothermal titration calorimetry, CEP164 (1-104) interaction with the proline-rich TTBK2 peptide (1074-1087) (chain G) through its WW domain was confirmed by ITC. CEP164(1-104) interaction with the nanobody 36Z was not confirmed experimentally. However, the nanobody interacts with CEP164 N-terminal region through its CDR3 loop, as expected.
  • 28.2 kDa, 2 polymers
  • Search similar-shape structures of this assembly by Omokage search (details)
Theoretical massNumber of molelcules
Total (without water)28,1502
Polymers28,1502
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Nanobody 36Z
I: Tau-tubulin kinase 2,Centrosomal protein of 164 kDa


  • defined by author
  • Evidence: isothermal titration calorimetry, CEP164 (1-104) interaction with the proline-rich TTBK2 peptide (1074-1087) (chain G) through its WW domain was confirmed by ITC. CEP164(1-104) interaction ...Evidence: isothermal titration calorimetry, CEP164 (1-104) interaction with the proline-rich TTBK2 peptide (1074-1087) (chain G) through its WW domain was confirmed by ITC. CEP164(1-104) interaction with the nanobody 36Z was not confirmed experimentally. However, the nanobody interacts with CEP164 N-terminal region through its CDR3 loop, as expected.
  • 28.2 kDa, 2 polymers
  • Search similar-shape structures of this assembly by Omokage search (details)
Theoretical massNumber of molelcules
Total (without water)28,1502
Polymers28,1502
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)70.615, 127.741, 218.881
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number20
Space group name H-MC2221
Space group name HallC2c2
Symmetry operation#1: x,y,z
#2: x,-y,-z
#3: -x,y,-z+1/2
#4: -x,-y,z+1/2
#5: x+1/2,y+1/2,z
#6: x+1/2,-y+1/2,-z
#7: -x+1/2,y+1/2,-z+1/2
#8: -x+1/2,-y+1/2,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 0 through 3 or resid 5...
d_2ens_1(chain "B" and (resid 0 through 3 or resid 5...
d_3ens_1(chain "C" and (resid 0 through 3 or resid 5...
d_1ens_2(chain "G" and (resid 2 through 45 or (resid 46...
d_2ens_2(chain "H" and (resid 2 through 45 or (resid 46...
d_3ens_2(chain "I" and (resid 2 through 66 or resid 68 through 80 or resid 82 through 104))
d_1ens_3(chain "G" and (resid 1074 through 1084))'
d_2ens_3(chain "H" and (resid 1074 through 1084))'
d_3ens_3(chain "I" and (resid 1074 through 1084))'

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1SERGLNA1 - 4
d_12ens_1GLNSERA8 - 56
d_13ens_1ASPTHRA59 - 62
d_14ens_1TYRLYSA66 - 82
d_15ens_1ALAALAA86 - 128
d_21ens_1SERGLNB3 - 6
d_22ens_1GLNSERB8 - 56
d_23ens_1ASPTHRB59 - 62
d_24ens_1TYRLYSB66 - 82
d_25ens_1ALAALAB86 - 128
d_31ens_1SERGLNC1 - 4
d_32ens_1GLNSERC6 - 54
d_33ens_1ASPTHRC57 - 60
d_34ens_1TYRLYSC62 - 78
d_35ens_1ALAALAC81 - 123
d_11ens_2ALAGLNG2 - 66
d_12ens_2ILEGLYG68 - 80
d_13ens_2SERSERG82 - 104
d_21ens_2ALAGLNH2 - 66
d_22ens_2ILEGLYH68 - 80
d_23ens_2SERSERH82 - 104
d_31ens_2ALAGLNI2 - 66
d_32ens_2ILEGLYI68 - 80
d_33ens_2SERSERI82 - 104
d_11ens_3PHETHRG1074 - 1084
d_21ens_3PHETHRH1074 - 1084
d_31ens_3PHETHRI1074 - 1084

NCS ensembles :
ID
ens_1
ens_2
ens_3

NCS oper:
IDCodeMatrixVector
1given(-0.53505751493, -0.844809469601, -0.00322735031356), (-0.844783029105, 0.534999397979, 0.0108294920308), (-0.00742222694378, 0.00852081186784, -0.999936151118)70.377217448, -3.40223486082, 73.13931336
2given(0.517361221498, -0.855647986883, 0.0142789717183), (-0.855766364312, -0.51726654136, 0.00996267541416), (-0.00113850884718, -0.0173737656352, -0.999848416544)-2.621841461, -1.989952456, 36.7708935881
3given(-0.555295836345, -0.831648243185, -0.00278096117176), (-0.831573408443, 0.5552858906, -0.0119685450657), (0.0114978479783, -0.00433350988173, -0.999924507242)70.9223002843, -3.0578644084, 72.7543489571
4given(0.469423256725, -0.882536380266, 0.0277730724416), (-0.882632583644, -0.469883639013, -0.0130033871991), (0.0245260746153, -0.0184093263174, -0.999529673581)-1.74724933246, -0.816683377964, 36.3336506354
5given(-0.562224618324, -0.826983266246, -0.00146829851714), (-0.826931178627, 0.562207609203, -0.0103648429464), (0.00939704027287, -0.00461318804618, -0.999945205564)71.0917402715, -3.44471982497, 72.8075986121
6given(0.496109323389, -0.867146223851, 0.0439655058814), (-0.867131838438, -0.497409602962, -0.0258081701904), (0.0442483221496, -0.0253202160917, -0.998699640855)-3.33167975696, -0.736197557752, 35.7865319568

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Components

#1: Antibody Nanobody 36Z


Mass: 13226.526 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Camelidae mixed library (mammal) / Production host: Escherichia coli BL21(DE3) (bacteria)
#2: Protein Tau-tubulin kinase 2,Centrosomal protein of 164 kDa / Cep164


Mass: 14923.734 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Details: Chimera composed of TTBK2 (1074-1087, UNIPROT Q6IQ55) and CEP164 (1-109, UNIPROT Q9UPV0). GPLGS = expression tag amino acid residues left after protease cleavage.
Source: (gene. exp.) Homo sapiens (human) / Gene: TTBK2, KIAA0847, CEP164, KIAA1052, NPHP15 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: Q6IQ55, UniProt: Q9UPV0, non-specific serine/threonine protein kinase
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 104 / Source method: isolated from a natural source / Formula: H2O

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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: 2.92 Å3/Da / Density % sol: 57.88 %
Crystal growTemperature: 292 K / Method: vapor diffusion / Details: 100 mM Acetate, pH 4.5, 100 mM NaCl, 30% PEG-200

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.97625 Å
DetectorType: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: Apr 5, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97625 Å / Relative weight: 1
ReflectionResolution: 2.4→61.8 Å / Num. obs: 38541 / % possible obs: 98.7 % / Redundancy: 3.8 % / Biso Wilson estimate: 43.41 Å2 / CC1/2: 0.993 / Rmerge(I) obs: 0.091 / Rpim(I) all: 0.052 / Net I/σ(I): 8.6
Reflection shellResolution: 2.4→2.49 Å / Redundancy: 3.8 % / Rmerge(I) obs: 0.705 / Mean I/σ(I) obs: 2.1 / Num. unique obs: 4025 / CC1/2: 0.498 / Rpim(I) all: 0.436 / % possible all: 99.4

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Processing

Software
NameVersionClassification
REFMAC5.7.0009refinement
PHENIX1.18_3845refinement
DIALSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 7O0S

7o0s


Resolution: 2.4→36.11 Å / SU ML: 0.2716 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 23.6969
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2395 1947 5.06 %
Rwork0.1894 36559 -
obs0.1919 38506 98.33 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 55 Å2
Refinement stepCycle: LAST / Resolution: 2.4→36.11 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5497 0 0 104 5601
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00445719
X-RAY DIFFRACTIONf_angle_d0.62337795
X-RAY DIFFRACTIONf_chiral_restr0.043815
X-RAY DIFFRACTIONf_plane_restr0.00441053
X-RAY DIFFRACTIONf_dihedral_angle_d15.0862792
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2BX-RAY DIFFRACTIONTorsion NCS0.515975563888
ens_1d_3CX-RAY DIFFRACTIONTorsion NCS0.6734654733
ens_2d_2HX-RAY DIFFRACTIONTorsion NCS0.62644196305
ens_2d_3IX-RAY DIFFRACTIONTorsion NCS0.838719332283
ens_3d_2HX-RAY DIFFRACTIONTorsion NCS1.07864973231
ens_3d_3IX-RAY DIFFRACTIONTorsion NCS0.906259256605
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.4-2.460.30481470.25122597X-RAY DIFFRACTION99.1
2.46-2.530.32071360.25342615X-RAY DIFFRACTION98.81
2.53-2.60.3011530.24442569X-RAY DIFFRACTION98.95
2.6-2.680.3151430.24762574X-RAY DIFFRACTION98.8
2.68-2.780.28561560.23152556X-RAY DIFFRACTION98.55
2.78-2.890.31691380.22372585X-RAY DIFFRACTION98.34
2.89-3.020.28121310.21832628X-RAY DIFFRACTION99.1
3.02-3.180.29061140.2192672X-RAY DIFFRACTION99.43
3.18-3.380.27271290.2122590X-RAY DIFFRACTION98.62
3.38-3.640.23451160.18682655X-RAY DIFFRACTION98.82
3.64-4.010.21311530.1722587X-RAY DIFFRACTION97.96
4.01-4.590.18151490.14292625X-RAY DIFFRACTION98.13
4.59-5.780.18941450.15282590X-RAY DIFFRACTION96.44
5.78-36.110.22191370.17912716X-RAY DIFFRACTION95.93
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)
17.515649147426.964129170241.21932419948.876688753922.21255752474.430045879280.16890161381-0.2900548787870.7572641683860.197317297463-0.3404122162511.420469617280.405704756693-0.4217831570290.2230447751760.342148795610.0413397142957-0.06051881025380.38410640287-0.1021138880470.46761661031721.360120004221.669309147.6755520483
25.882365865221.62568323016-0.6291239010280.366864485187-0.626941705963.377929948850.1481633710030.0922208563428-0.516273719840.417967065886-0.0631792176135-0.2439107084320.528108175018-0.273904299392-0.04691796419370.3195723603210.0811819597348-0.07672782888590.2673578860980.0198015777480.39870237347428.073022103418.404511492749.6548002874
34.50819191285-1.692635345580.4527746308186.87960289647-1.249208074595.271903184770.02549610599260.206045533312-0.0992085324451-0.4431871074580.08711037126230.08521424792730.357590468473-0.0761357708745-0.08086389670990.274509781662-0.0270999163434-0.04175865951430.281043034078-0.05792905412480.36251222183233.69658136318.969879680840.3306223662
46.941764633073.41729891487-3.820189446748.69487953177-5.492295535082.45077004724-0.1076196025940.0249759826597-0.4312842021480.07445549017-0.0418270476975-0.7802024097170.261157139080.4321352035750.2371951044120.353700238973-0.0342149397415-0.07244600238850.321308588223-0.04807290519690.44807841744335.517583050520.051364148248.9613858135
50.9211837533212.331885523340.373618168247.921727572791.167280096832.09518343908-0.2115896756660.07707791291490.0415611903881-0.0769762981670.100252624355-0.400407246106-0.07472833416590.1609023610630.1404517926940.2244315864560.0424154399214-0.07130734976830.2424238043220.010380838260.35572679140229.018660284520.497592946840.7631667419
69.144031183347.32156035033-0.3914762058086.01946033617-1.012098473892.95332944768-0.0419832909689-0.07423394179560.9382341093850.752726182529-0.1215520831090.382737072103-0.219108175916-0.01238698826690.1368789861290.386863641470.0495975397553-0.08627959435460.278810418089-0.01365701107970.58984747429629.30950805334.605112641744.7035280842
76.204557328250.01981292596941.140618318212.75861304729-0.8257029392143.33221667099-0.1105341019320.343872600922-0.1130862141820.0294837970346-0.0983588978656-0.269427930004-0.0953511268380.3069334246640.180769595720.2977544442120.00724228671073-0.03818725235430.254672022353-0.06452286100170.26551758062538.8911397173-13.89593036128.0539393443
81.71861922873-0.294239060911.863646986939.227673803171.559659618812.35260667597-0.130976931747-0.129724494007-0.554873765798-0.248227772335-0.178828309120.003946449104270.5501074376220.2143111075310.1793773534480.2726500988520.00490379460569-0.008834889482320.258639334349-0.00877754901090.38309256408139.6177327169-25.986133086329.4046298214
94.26380440987-0.31544906820.9137740623791.601998518070.3451639672071.42794935759-0.1322153621110.28564910121-0.243375292044-0.09892375140330.008336091422590.184593548120.0930625687423-0.1704410492860.1190474617860.28545404494-0.0110362256383-0.0187142872330.293318887309-0.06384432186890.30977267800434.1826414772-18.23322588828.5661210237
103.218875847811.476450926240.901274783174.561513379440.06437635359963.631989516090.069086719007-0.3230049488890.3957600874630.214220286647-0.02602477946310.0925910727533-0.597339984267-0.274633557434-0.003388445386410.4493142303450.12305336133-0.003090014667730.613745141825-0.20842277570.423843636974-6.50115783051-35.2141897894-9.02431711836
114.643099263161.04541182634-0.08973898685933.67355444864-0.8474359012952.103163992040.0972993442678-0.630158287055-0.07250179283660.516822965301-0.0225959317101-0.459050681146-0.2571409274030.153044593611-0.02163532653160.3651680320960.0154510513293-0.0225734590670.501978722308-0.1391813171210.3318221612441.05410557949-41.3428830914-10.0813150812
123.180305260463.891200534811.681225840466.343781447792.088925725582.690211956180.0547461448146-0.6578455744440.1552052685760.169529709613-0.3231284840510.2248609393940.114113278919-0.1855879852660.3168148411120.4056711751030.02403602699830.03128458463250.605764368566-0.1217979628070.348419770213-7.51444134909-38.7182506053-5.33664283163
134.93847422779-2.01491978242.702300919265.321836783054.006080288637.85746937406-0.0246577666413-0.5120112710780.1690621228740.275129408818-0.0715239870137-1.46141609275-0.3103398717110.46549886095-0.006156347385160.3389014388120.00473944784313-0.01118807612760.429838619039-0.03331165526030.69625376055737.39997213768.35537618935.5743695095
142.0132510507-1.33945974838-6.117598073223.183614911730.3393569495084.339091440590.141353991272-1.13118440322-0.9994841693370.437421623114-0.215433310719-0.324652754140.3547010804620.9173075577790.106525588640.681299596947-0.0819309013196-0.115599637120.5542148526540.03431152012380.54766097661725.5329424395-0.025683682122342.8250399163
159.19001100437-1.361816222834.549811415958.571602130617.023397662572.02793704589-0.32963296696-0.0701587731751.14212506359-0.2570119676090.167030485430.079933229685-1.389648031510.6846972710140.06836976300650.338499583008-0.0482350369265-0.04178095656220.3305533568970.001570418356510.44005314817210.35696819626.6633503206734.5507166198
166.974495553941.13067446219-1.056666050222.37833020190.8822539455092.268657029240.0854378284733-0.05575168091940.211342752609-0.0528837490406-0.0616569734580.184288418147-0.159034640869-0.278853079707-0.02551253496340.351684488304-0.000107863477151-0.02558692793780.3031969393530.005872967203570.2530823824746.22235278602-0.25259352086232.3794062453
174.322651798622.371623263310.7768743877172.078821779271.444187479314.74965167989-0.0783232239710.1648990415220.222578914972-0.405849863819-0.00636355243239-0.00434529587217-0.01655390119860.344452011771-0.00697660460640.2676540030880.003512518213630.01359626741590.3025542424630.006413827904490.29707015606529.62591992636.6382772371429.1602435306
187.82102474466-7.26577861497-6.108319285047.137982077435.583411111284.779753454580.5356201275740.735187956196-0.562495950865-1.57906883326-0.207557257566-0.0924126202026-0.5947920262130.168527911051-0.2623493738230.574925295708-0.0182893503640.07169077451780.460438203967-0.08341787371550.35938412409331.85599628323.7825400779921.647877262
199.732590358218.59007788249-7.281566855838.38023026816-7.373179277366.541975856950.07073435279360.1985915309780.0625734197482-0.09773279426960.08915589469790.7654089858740.372104265595-0.1667412621310.01564340512540.4533967700530.03491187380010.0002772972221440.362247412453-0.07315942030770.31478535198522.42888876235.7252700539525.8913338445
202.06899414333-1.267176641143.796218305247.014195401031.752347361998.416638008730.05562426292990.05719139134730.0236661120258-0.577102444685-0.2541990445740.3820550828660.290237447238-0.5977528254170.2210349785090.475521576599-0.0250305335848-0.03915205874120.381329613694-0.04560773708810.2932706083988.34334695563-3.3626239661823.7484257872
216.019870885963.238634023345.496090904045.832566225380.3970136116746.62014752926-0.1310141990470.553822583313-1.56699704562-0.8312160314860.01649725611860.5354888582210.480935095835-0.2782958092430.06805662976690.429839956496-0.0253469590518-0.005324826438520.318990729568-0.03747447050590.65071758659243.1457628695-29.97733172937.5155759749
227.584529203370.14177065477-1.424826430992.01119668744-0.9972192367057.64381793792-0.4701572602460.68946199207-0.945227609057-0.342497044510.03667244237520.3842249701341.232314031040.6446178745350.3354782154810.5706835036340.0001500203131440.02462341718460.570668190563-0.1357239936020.59506730335156.6325606811-24.683458133730.2259143251
237.99570838731.799840104248.587518406472.02076693729-1.707902799542.02526064768-0.556372841261-0.02565925085221.11747131009-0.0586637494990.08504296104130.526477504235-0.891408647497-0.9548630080030.269846885460.4507826938030.0274108850959-0.02822280789430.285648885243-0.0143829291230.42466563017559.2453312163-8.1239900619137.5739718813
244.617231054381.05755246168-1.383442342885.25968251994-3.734725553183.429902114110.0236355188116-0.1262944100270.1810877870030.304536523821-0.075057125629-0.301867997746-0.5525163063960.04702976824070.02120009068720.418360334525-0.0101041131863-0.07208022569020.339074847297-0.02020117418340.28301035585467.6939040077-8.4232061374740.7580724571
254.39358858954-0.1804162573131.337872343622.4922066853-0.373167674473.936358912080.052436605941-0.235166356401-0.4342306181850.1704386984460.0006409487021130.2451784848020.5468893377-0.245331046055-0.06559041040450.284259665305-0.0132407443259-0.01220806726880.198265859794-0.02217381519890.32930046790149.5743604581-24.264908578942.8319332647
266.569465183880.3148293665570.858975458390.868506121925-0.2075703638926.27380083242-0.195763737695-0.897228543722-0.3547090391270.644712811374-0.148200444208-0.414552467744-0.154488794376-0.001513499675180.2972928300390.3887591955620.0360221388868-0.0530591300850.3963164425530.06298493853420.34066509906850.5761560911-23.926241678348.62212439
277.685688336592.947696566610.8485944668632.125942802091.157892419917.636533219560.112651330351-0.4202691414390.1572654065170.157881561558-0.184996500047-0.350731797219-0.4331992630110.9871466309980.1017371756990.43738260925-0.0548507751289-0.1034270688170.4607911936510.03729544409050.37553878214269.0149194145-12.106782276149.2084620949
286.04107679697-3.755192632474.273423931982.031335081613.477439342266.639518293280.1389913742980.411683866924-0.837746217852-1.000353668490.672562391106-0.9332701735980.6120660117230.585703423449-0.9472018229020.6529361411760.0616132653695-0.002220768250990.687697260302-0.2422309119640.6961852521489.53692278195-38.25826832341.48450042023
295.02898813023-0.719690846870.9634823539766.55399541484-4.293627893637.41990943303-0.137627379430.213353399942-0.246854095285-1.92608813036-0.421341403174-0.765196554984-0.2260941953551.572099566960.4979391989811.08066442373-0.07603545735630.2157310388180.876024939505-0.1743737620450.64421420112711.2474236355-23.7712265848-5.9253891241
309.164089365022.689774747337.528080544457.30382582166.926249970229.58846138022-1.23812943164-0.9875072008570.7138641551410.6350250448010.8063346067650.5444911382580.34444219947-0.4854368442570.4822632424841.291419120080.283882848717-0.1820717567050.887338707354-0.2339972076620.612810472739-1.83386738988-13.56154264321.90255825919
313.1301496444-0.1669885872191.067801258233.48310530144-0.0359481559813.58337008714-0.3831730546160.1436374577130.1021735927580.04466725711760.151279454866-0.138278229277-1.31390652111-0.1899786330390.2203416662110.8193575091030.0174957141959-0.09777336923710.768109169407-0.1310528304750.3317998626655.51603068743-21.49712482277.75892614885
322.42560047995-1.12138336804-0.7224451253728.075737667443.002291288291.978857319070.339168145391-0.03382917290790.306498730086-1.15296722504-1.117086260920.434741660387-1.08343237968-0.08239404112090.745657752031.28921651420.210020341375-0.203416490520.788781643947-0.08251951423310.4428652832176.12869567854-6.7520266062912.7876761672
337.71134545088-3.356824693790.06178131698642.07533046262-1.695988916342.082780772560.6776472497421.234749627640.105193171331-0.834009818612-0.5542906923530.366280918672-0.509026388886-0.205882052398-0.001645636664110.650466651263-0.0143300602484-0.0293395682160.505976772218-0.03886041668460.46853772880329.299628269114.257561700324.0878154672
348.423735891210.784860746348-0.1096514212427.2092725071.50435447568.805420581780.0485557439834-0.853116280430.2523426849231.09095320531-0.2217007605930.448547749314-0.691634380342-0.5098474793330.1507447446340.3434354222910.112112389241-0.04683431742120.6176016388830.008702222749670.34940461624742.7655033919-19.896951842348.9406426568
354.15420398163-0.703704602804-1.45099378034.60402594870.09861155130344.121759112560.117526073218-0.71770256114-0.5032963923920.4148869154820.174669808942-0.00190768300190.3385848238340.295133383617-0.4033164229770.735895991952-0.0669366668064-0.1784887915270.87075168151-0.04671717615980.573391302991-0.101790862479-33.873489492312.807687064
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 0 through 15 )AA0 - 151 - 18
22chain 'A' and (resid 16 through 33 )AA16 - 3319 - 36
33chain 'A' and (resid 34 through 60 )AA34 - 6037 - 66
44chain 'A' and (resid 61 through 83 )AA61 - 8367 - 91
55chain 'A' and (resid 84 through 109 )AA84 - 10992 - 117
66chain 'A' and (resid 110 through 121 )AA110 - 121118 - 129
77chain 'B' and (resid -2 through 46 )BB-2 - 461 - 49
88chain 'B' and (resid 47 through 57 )BB47 - 5750 - 61
99chain 'B' and (resid 58 through 121 )BB58 - 12162 - 129
1010chain 'C' and (resid 0 through 45 )CC0 - 451 - 46
1111chain 'C' and (resid 46 through 83 )CC46 - 8347 - 86
1212chain 'C' and (resid 84 through 120 )CC84 - 12087 - 123
1313chain 'G' and (resid 2 through 14 )GD2 - 141 - 13
1414chain 'G' and (resid 15 through 25 )GD15 - 2514 - 24
1515chain 'G' and (resid 26 through 36 )GD26 - 3625 - 35
1616chain 'G' and (resid 37 through 55 )GD37 - 5536 - 54
1717chain 'G' and (resid 56 through 76 )GD56 - 7655 - 77
1818chain 'G' and (resid 77 through 83 )GD77 - 8378 - 84
1919chain 'G' and (resid 84 through 88 )GD84 - 8885 - 89
2020chain 'G' and (resid 89 through 104 )GD89 - 10490 - 105
2121chain 'H' and (resid 2 through 14 )HE2 - 141 - 13
2222chain 'H' and (resid 15 through 25 )HE15 - 2514 - 24
2323chain 'H' and (resid 26 through 35 )HE26 - 3525 - 34
2424chain 'H' and (resid 36 through 54 )HE36 - 5435 - 53
2525chain 'H' and (resid 55 through 71 )HE55 - 7154 - 72
2626chain 'H' and (resid 72 through 88 )HE72 - 8873 - 91
2727chain 'H' and (resid 89 through 104 )HE89 - 10492 - 107
2828chain 'I' and (resid 2 through 14 )IF2 - 141 - 13
2929chain 'I' and (resid 15 through 25 )IF15 - 2514 - 24
3030chain 'I' and (resid 26 through 36 )IF26 - 3625 - 35
3131chain 'I' and (resid 37 through 88 )IF37 - 8836 - 89
3232chain 'I' and (resid 89 through 104 )IF89 - 10490 - 105
3333chain 'G' and (resid 1074 through 1084 )GG1074 - 10841 - 11
3434chain 'H' and (resid 1074 through 1084 )HH1074 - 10841 - 11
3535chain 'I' and (resid 1074 through 1084 )II1074 - 10841 - 11

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