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- PDB-6zj8: Structure of the PAS domain from Bordetella pertussis BvgS -

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Basic information

Entry
Database: PDB / ID: 6zj8
TitleStructure of the PAS domain from Bordetella pertussis BvgS
ComponentsVirulence sensor protein BvgS
KeywordsSIGNALING PROTEIN / PAS domain sensor histidine-kinase
Function / homology
Function and homology information


histidine phosphotransfer kinase activity / phosphorelay sensor kinase activity / histidine kinase / regulation of DNA-templated transcription / ATP binding / plasma membrane
Similarity search - Function
: / : / Histidine Phosphotransfer domain / Hpt domain / Histidine-containing phosphotransfer (HPt) domain profile. / Signal transduction histidine kinase, phosphotransfer (Hpt) domain / HPT domain superfamily / Bacterial periplasmic substrate-binding proteins / Bacterial extracellular solute-binding proteins, family 3 / Solute-binding protein family 3/N-terminal domain of MltF ...: / : / Histidine Phosphotransfer domain / Hpt domain / Histidine-containing phosphotransfer (HPt) domain profile. / Signal transduction histidine kinase, phosphotransfer (Hpt) domain / HPT domain superfamily / Bacterial periplasmic substrate-binding proteins / Bacterial extracellular solute-binding proteins, family 3 / Solute-binding protein family 3/N-terminal domain of MltF / PAS-associated, C-terminal / PAC domain profile. / His Kinase A (phospho-acceptor) domain / His Kinase A (phosphoacceptor) domain / Signal transduction histidine kinase, dimerisation/phosphoacceptor domain / PAS domain / Signal transduction histidine kinase-related protein, C-terminal / Signal transduction histidine kinase, dimerisation/phosphoacceptor domain superfamily / Histidine kinase domain / Histidine kinase domain profile. / Response regulator receiver domain / cheY-homologous receiver domain / Signal transduction response regulator, receiver domain / Response regulatory domain profile. / CheY-like superfamily / Beta-Lactamase / PAS fold / PAS fold / PAS domain / PAS repeat profile. / Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase / PAS domain / PAS domain superfamily / Histidine kinase-like ATPases / Histidine kinase/HSP90-like ATPase superfamily / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Virulence sensor protein BvgS
Similarity search - Component
Biological speciesBordetella pertussis (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MAD / Resolution: 2.4 Å
AuthorsClantin, B. / Dupre, E. / Jacob-Dubuisson, F. / Villeret, V.
Citation
Journal: J.Bacteriol. / Year: 2021
Title: Structural insight into the role of the PAS domainfor signal transduction in sensor-kinase BvgS.
Authors: Dupre, E. / Clantin, B. / Yuan, Y. / Lecher, S. / Lesne, E. / Antoine, R. / Villeret, V. / Jacob-Dubuisson, F.
#1: Journal: Nat. Rev. Microbiol. / Year: 2018
Title: Structural insights into the signalling mechanisms of two-component systems.
Authors: Jacob-Dubuisson, F. / Mechaly, A. / Betton, J.M. / Antoine, R.
#2: Journal: mBio / Year: 2018
Title: Coiled-Coil Antagonism Regulates Activity of Venus Flytrap-Domain-Containing Sensor Kinases of the BvgS Family.
Authors: Lesne, E. / Dupre, E. / Lensink, M.F. / Locht, C. / Antoine, R. / Jacob-Dubuisson, F.
#3: Journal: PLoS ONE / Year: 2018
Title: Distinct virulence ranges for infection of mice by Bordetella pertussis revealed by engineering of the sensor-kinase BvgS.
Authors: Lesne, E. / Coutte, L. / Solans, L. / Slupek, S. / Debrie, A.S. / Dhennin, V. / Froguel, P. / Hot, D. / Locht, C. / Antoine, R. / Jacob-Dubuisson, F.
#4: Journal: PLoS Pathog. / Year: 2015
Title: Virulence regulation with Venus flytrap domains: structure and function of the periplasmic moiety of the sensor-kinase BvgS.
Authors: Dupre, E. / Herrou, J. / Lensink, M.F. / Wintjens, R. / Vagin, A. / Lebedev, A. / Crosson, S. / Villeret, V. / Locht, C. / Antoine, R. / Jacob-Dubuisson, F.
History
DepositionJun 28, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Nov 11, 2020Provider: repository / Type: Initial release
Revision 1.1Apr 7, 2021Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Dec 21, 2022Group: Database references / Category: citation / database_2
Item: _citation.journal_volume / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.3Jun 19, 2024Group: Data collection / Category: chem_comp_atom / chem_comp_bond

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Virulence sensor protein BvgS
B: Virulence sensor protein BvgS
C: Virulence sensor protein BvgS
D: Virulence sensor protein BvgS
E: Virulence sensor protein BvgS
F: Virulence sensor protein BvgS
G: Virulence sensor protein BvgS
H: Virulence sensor protein BvgS


Theoretical massNumber of molelcules
Total (without water)146,6388
Polymers146,6388
Non-polymers00
Water86548
1
A: Virulence sensor protein BvgS


Theoretical massNumber of molelcules
Total (without water)18,3301
Polymers18,3301
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Virulence sensor protein BvgS


Theoretical massNumber of molelcules
Total (without water)18,3301
Polymers18,3301
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Virulence sensor protein BvgS


Theoretical massNumber of molelcules
Total (without water)18,3301
Polymers18,3301
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: Virulence sensor protein BvgS


Theoretical massNumber of molelcules
Total (without water)18,3301
Polymers18,3301
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
E: Virulence sensor protein BvgS


Theoretical massNumber of molelcules
Total (without water)18,3301
Polymers18,3301
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
F: Virulence sensor protein BvgS


Theoretical massNumber of molelcules
Total (without water)18,3301
Polymers18,3301
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
7
G: Virulence sensor protein BvgS


Theoretical massNumber of molelcules
Total (without water)18,3301
Polymers18,3301
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
8
H: Virulence sensor protein BvgS


Theoretical massNumber of molelcules
Total (without water)18,3301
Polymers18,3301
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)121.960, 122.288, 105.283
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number18
Space group name H-MP21212
Space group name HallP22ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x+1/2,y+1/2,-z
#4: -x,-y,z

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Components

#1: Protein
Virulence sensor protein BvgS


Mass: 18329.742 Da / Num. of mol.: 8 / Mutation: A151L; A155L
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bordetella pertussis (strain Tohama I / ATCC BAA-589 / NCTC 13251) (bacteria)
Gene: bvgS, BP1877 / Production host: Escherichia coli BL21 (bacteria) / References: UniProt: P16575, histidine kinase
#2: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 48 / 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: 2.68 Å3/Da / Density % sol: 54.05 %
Description: crystal belongs to space group P21212 with eight PAS domains in the asymmetric unit
Crystal growTemperature: 292 K / Method: vapor diffusion, hanging drop / pH: 5
Details: sodium acetate 0.1 M (pH 5), 2% PEG 6000, 15% glycerol

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID29 / Wavelength: 0.98999 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Jul 10, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.98999 Å / Relative weight: 1
ReflectionResolution: 2.3→70 Å / Num. obs: 70503 / % possible obs: 99.9 % / Redundancy: 7 % / Biso Wilson estimate: 64.81 Å2 / Rmerge(I) obs: 0.074 / Net I/σ(I): 17.12
Reflection shellResolution: 2.3→2.4 Å / Redundancy: 7 % / Rmerge(I) obs: 0.32 / Mean I/σ(I) obs: 1.28 / Num. unique obs: 6931 / % possible all: 99.9

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Processing

Software
NameVersionClassification
PHENIX1.18.2_3874refinement
PHENIX1.18.2_3874refinement
MxCuBEdata collection
XDSdata reduction
SHARPphasing
Cootmodel building
XDSdata scaling
RefinementMethod to determine structure: MAD / Resolution: 2.4→29.65 Å / SU ML: 0.3378 / Cross valid method: FREE R-VALUE / σ(F): 0.31 / Phase error: 26.938
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2519 3117 5.02 %
Rwork0.2268 59019 -
obs0.2281 62136 99.96 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 79.97 Å2
Refinement stepCycle: LAST / Resolution: 2.4→29.65 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8312 0 0 48 8360
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00218464
X-RAY DIFFRACTIONf_angle_d0.472211434
X-RAY DIFFRACTIONf_chiral_restr0.03961267
X-RAY DIFFRACTIONf_plane_restr0.00281487
X-RAY DIFFRACTIONf_dihedral_angle_d15.64423197
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.4-2.440.36911350.32652641X-RAY DIFFRACTION99.96
2.44-2.480.35111230.32992634X-RAY DIFFRACTION99.78
2.48-2.520.33721460.31642634X-RAY DIFFRACTION99.78
2.52-2.570.32451330.30372674X-RAY DIFFRACTION99.96
2.57-2.620.33511400.29492642X-RAY DIFFRACTION99.96
2.62-2.670.34821420.28082644X-RAY DIFFRACTION99.96
2.67-2.730.27611340.27732672X-RAY DIFFRACTION100
2.73-2.790.2981220.29422677X-RAY DIFFRACTION100
2.79-2.860.30171470.28872644X-RAY DIFFRACTION99.96
2.86-2.940.27811330.27562689X-RAY DIFFRACTION99.96
2.94-3.020.30581300.27292673X-RAY DIFFRACTION100
3.02-3.120.3061310.26842665X-RAY DIFFRACTION99.96
3.12-3.230.29781500.24462660X-RAY DIFFRACTION100
3.23-3.360.2641370.24372690X-RAY DIFFRACTION100
3.36-3.510.27811400.23592677X-RAY DIFFRACTION100
3.51-3.70.24961390.23272691X-RAY DIFFRACTION100
3.7-3.930.25031430.20682704X-RAY DIFFRACTION100
3.93-4.230.21661790.19682660X-RAY DIFFRACTION100
4.23-4.660.20991380.18812699X-RAY DIFFRACTION99.96
4.66-5.330.21391480.18652739X-RAY DIFFRACTION99.97
5.33-6.70.25251550.22582741X-RAY DIFFRACTION100
6.7-29.650.22751720.20522869X-RAY DIFFRACTION99.93
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)
12.457161464880.6068078298180.6255079144145.186447137110.211601796923.82201733428-0.07439213390130.2366834958730.17094614693-0.9831436268490.0971375535411-0.203523302061-0.642226533980.202243857389-0.08442482029840.656114821938-0.02399270614970.08299829921610.3439918370590.04482470532010.378461660267-26.561198182230.1542506331-57.0851064471
27.677965528930.531280877382-2.918600574982.568225084680.3810120543591.368213798120.411222050420.7124093465251.2815650817-0.320594464273-0.52133359836-1.355024609140.2511321348041.31213691201-0.041781517440.780485227102-0.2035361661480.1815987882021.237947790370.07427123284821.00735923619-10.193004374833.1913384772-51.0021186751
32.583765379230.8329707045840.180006693474.02708834414-0.5446019867285.72818269158-0.1516603391220.0315059043725-0.264485583657-0.0659572334918-4.12445235944E-5-0.2062726741-0.06384856054620.4633906441320.1552402734390.454885387596-0.04013689744830.02176174130390.445928409416-0.01645433871730.552473163098-23.864783553924.0885348947-42.5853043122
44.942085659141.78068609746-0.4815520795416.182751251310.5346068653846.11093682555-0.1161611445620.493701607633-0.00293364315365-0.927964229024-0.03069366788180.552445007458-0.113284485806-0.4600147233820.1358457089920.692444088363-0.0012527931444-0.05295035990930.544238553188-0.08555723549830.591610660821-39.119587527910.2347573259-59.2267914951
52.31592208065-1.011902481390.5734633540846.906332510310.4234517813392.64156337315-0.07781414068110.0971479683077-0.411775741725-0.115842552297-0.3245138015360.5844499371470.991147081412-0.1600884147860.2984660794620.8785470423470.002110034117370.0903637328180.367506091156-0.07813197996370.542793129153-35.0081183025-5.43539165686-52.6921922878
68.571373724510.570279492969-4.049847933719.049768731676.596211574287.70067210919-0.0144887939352-1.34891034857-1.615876057420.577791086464-0.20285282523-0.2981262975511.159314029260.9849387403840.3260100665661.07473610894-0.06872947166820.01000419887640.4449112359860.02859010559510.708473229614-30.8624593365-7.01810419605-45.4061339864
76.96656407609-1.01004796062.320274719550.427541698525-0.9635091332422.467733164121.24336849193-0.906318200386-0.2776854012990.419616803031-0.482967797730.3082015547920.131563827459-0.996238573488-0.3228969680750.944017327905-0.2404133445680.003359236684770.740964429243-0.05073136697420.903680992668-47.3844054975-2.13733634189-41.7334350226
80.2697315944170.7985631820621.050469748524.526156839921.965779000514.83670865739-0.0248331508167-0.0325012829952-0.2272946752730.4190835486480.0202258747916-0.3332728725710.7255216830690.404772655726-0.03676543270540.6342336474930.02667280929920.07690741434820.5012587813450.07295437460690.543593664605-29.09066554967.62479284349-39.0100367942
93.926211392840.216995739855-0.1668538285397.786437967610.815663183533.058579785240.0330215068798-0.0766332000168-0.03932908645870.633097340292-0.2331089340070.936506731761-0.306726365679-0.3278722913660.211791991910.5902139995720.03479475228930.08049517877890.58370442282-0.10525649510.646905336387-44.615119532320.6609622575-40.9480179925
102.916087484330.16405417868-0.7405949336174.305056001011.445167989386.560815880260.01021727281170.5754343389150.570796925379-0.942903970144-0.399806438951.41642969903-0.747696797034-0.5099290633980.6426122790730.6647440082820.197384966798-0.1396148633211.0610827145-0.2026888770611.09341260232-51.509517569926.63445358-48.5201448759
112.242402084330.7994868809890.1674266563644.736759702652.247674025.537976193710.0483385202637-0.09936989123780.5970111787140.309914496689-0.3869202252521.30969462219-0.964109331021-0.8110516097890.6150780175050.9995450057060.297071697997-0.3414511845580.942304712064-0.1342165504720.850373896723-47.350928076224.8218788243-57.8612953967
126.614290173051.07965930403-3.732991192312.58793511560.1764288380785.33761989077-0.1948752879570.6660979416450.0959740890256-0.655247751827-0.01344544927140.460411090575-0.19450909897-0.6171000408690.2189478158850.7162956611830.0640023800448-0.1401331704810.473061407344-0.0974970029020.562302612484-38.921072416121.1357528081-57.5602781962
137.550031204091.40571196801-0.2619688793816.601193713180.2983247025085.332635786840.0124094184783-0.00621560998511-0.6817064399410.230871824527-0.0638866677394-1.076230218970.3886636879611.25851669129-0.004119501311770.5539625642310.1136039072510.03577888294180.796911555660.04652654240660.782612259792-12.768029751810.3985159298-48.078204599
144.300158342021.160482626720.566057291753.81652877840.5225138772423.51208902296-0.1374806416340.0617264796163-0.62317863881-1.20112645086-0.00850218022636-0.7550400818460.8697988963490.776472072681-0.07540368989560.8744705329750.2227417231090.1150078088251.26062633364-0.1505363569240.996413967746-9.85562927825.59612340445-58.0167130919
155.22786511752.6817047565-0.2410748408736.303269217730.8188776380495.3365033562-0.3381872205540.882087092766-0.841362070289-1.303613836640.59970668787-1.027439923770.4267284251840.709624947227-0.1151359278850.9376387895270.0149411932680.172102103460.847984233587-0.08303807606680.705273233797-17.81577750948.27769758428-62.3547255039
168.455370781011.004469055083.387600100933.088105419132.035942873684.753348507010.2289598539121.360747901530.0732171038466-0.260763465726-0.01207787600440.1106033349160.2800375510940.61725766653-0.3342275640180.7018198089430.03998608284820.07838548896660.4270060194040.00718973917580.415267038794-26.45811287739.97003673792-60.0859260238
171.3612078186-0.5591958431831.565589828235.46012569314-0.3247673289864.5495900017-0.105382644141-0.798443147145-0.2542850962490.4171408867340.04404513599380.4168812122560.2464906702820.4011582134860.09413710834750.418039602880.0282195110870.05794630018541.019147108010.07727235554760.449800230358-27.405321588524.6239271466.63679992475
182.94419981272-0.195280697486-0.4067222455791.40480977977-0.1992210166581.737430997360.401521113718-0.850521894075-0.2109394882530.375271940626-0.256862815882-0.5127707302350.2624724238090.586764006809-0.01427435112760.443070452572-0.0244744305514-0.07731953889741.09961457334-0.001436902422920.599760712386-10.850123895129.93821362473.99562223916
191.673865854730.268206107677-1.294457862913.305174793190.7174589915771.589292096940.0638733216341-0.8680411355990.06172566731570.3323182689670.0242544890888-0.13628845252-0.3618370645240.859719077778-0.0943334260310.57240415606-0.100589876396-0.06955088558271.15726407606-0.07718591051470.552015147114-20.606719131939.03305943719.44578955444
202.83700112182-0.8558774474830.8838588626583.21336848954-1.264993700361.66949297808-0.177468476204-0.4893694293970.4429479645440.225076164058-0.108731689409-0.515843295627-0.5636759851790.278235095112-0.01585538546360.559288830217-0.0365844190792-0.02742548686110.88041312706-0.1325446534160.553556419709-30.724255726143.30093971410.167836422368
213.44439350075-2.22977143431-0.1507632732844.412350780151.92217286966.96283451829-0.222332473322-0.528860201665-0.02434970297460.2607641673660.202611738406-0.5722391837160.3571444420880.1213486504520.0610790426190.370404497459-0.0482907766610.06622078551880.6917295647470.041231223420.518775976312-40.773251121121.6294727138-6.60157692283
227.88303364533-0.8089767816-2.96469460272.7463209472-0.3923769695673.37617870112-0.16145764493-0.0351207082769-0.2597016424710.1142785411280.08614320389160.169903022927-0.19655916031-0.4992024573120.0005409598653430.3541801804220.04356085136610.005965604193790.840395644385-0.02846487596110.52934247227-57.09854529530.7260511971-4.57760402622
231.527962750492.06796391606-1.837058871593.25271239582-2.658116921322.23762606676-0.540626493557-0.422074820850.127427142302-1.254354699550.7377229160010.2673868286610.828624554576-0.524913242028-0.1514399812710.951904280785-0.0220563966428-0.1901173229671.040081995880.06232912392120.765836269267-53.517345813536.4738222483-19.8272963679
244.21743773160.656814849484-0.9279485134664.105718098551.54321559144.43567822236-0.109629977013-0.3917295779660.2137884026230.1744363333110.1131138195710.00389072695891-0.45911300364-0.2953947977950.1756836192460.452291350440.133743549511-0.006920716460820.630900911514-0.04476362289260.552978930301-45.365033453941.3248115843-6.24332607632
253.81182358989-0.706743586571-1.337087734851.819207578761.385142825538.498699432960.05289167786030.009104914964060.113195156559-0.2620644455620.0130619440792-0.13318364733-0.1000023851230.268906132248-0.0970581933740.476859367795-0.06925513707110.01532128270330.5563525173060.03729925623240.444869592637-28.598209561133.825662658-20.692213042
263.20452159775-0.9933223461661.777379000431.91632645183-2.262814331139.572948580420.167865781179-0.120675994964-0.397741249906-0.353309668669-0.258726404909-0.09971846621690.9330398487450.6779903269740.1575049314690.517605746962-0.02964762764830.02337964498620.729747551226-0.005067656685730.605294481214-29.719885032423.7447385291-9.08676818645
276.393480520610.268563531504-1.849902223744.67406244102-0.3561781936544.325164560680.199217612859-0.9660900219290.3029399031010.758742622344-0.06093512775240.311776171332-0.519034652369-0.468486368264-0.1265851937910.7564690100060.1019249975380.06108708957011.11314820581-0.1312354795360.572177654942-42.259085466140.063308075816.0201329314
281.1906850104-0.4244825332470.3102416118973.770013344380.4875362386532.27849573097-0.239808162743-0.829210286754-0.4555837542040.5483168283650.04733796409890.3358938198940.206894930739-0.5239026315360.1576714724020.741657715331-0.01762395753150.1234641499091.374516131770.1506695384920.679452147872-43.60484144225.968496433616.9067236214
290.7803208169641.019661021311.161735948644.266895275982.671538657695.591670012440.380518700946-0.829619406502-0.447780737960.618893463184-0.0256795917950.09876769032790.498657446815-0.734771876763-0.04789406414980.5063892852710.05131003882390.1316675360850.940959281797-0.003948430896790.749076129205-41.91776222124.24046369985.08500971487
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 16 through 87 )AA16 - 871 - 72
22chain 'A' and (resid 88 through 98 )AA88 - 9873 - 83
33chain 'A' and (resid 99 through 156 )AA99 - 15684 - 141
44chain 'B' and (resid 16 through 41 )BB16 - 411 - 26
55chain 'B' and (resid 42 through 78 )BB42 - 7827 - 63
66chain 'B' and (resid 79 through 87 )BB79 - 8764 - 72
77chain 'B' and (resid 88 through 98 )BB88 - 9873 - 82
88chain 'B' and (resid 99 through 156 )BB99 - 15683 - 133
99chain 'C' and (resid 21 through 63 )CC21 - 631 - 43
1010chain 'C' and (resid 64 through 98 )CC64 - 9844 - 64
1111chain 'C' and (resid 99 through 109 )CC99 - 10965 - 75
1212chain 'C' and (resid 110 through 155 )CC110 - 15576 - 119
1313chain 'D' and (resid 21 through 63 )DD21 - 631 - 43
1414chain 'D' and (resid 64 through 98 )DD64 - 9844 - 59
1515chain 'D' and (resid 99 through 122 )DD99 - 12260 - 83
1616chain 'D' and (resid 123 through 154 )DD123 - 15484 - 115
1717chain 'E' and (resid 15 through 57 )EE15 - 571 - 43
1818chain 'E' and (resid 58 through 78 )EE58 - 7844 - 64
1919chain 'E' and (resid 79 through 127 )EE79 - 12765 - 109
2020chain 'E' and (resid 128 through 151 )EE128 - 151110 - 133
2121chain 'F' and (resid 16 through 41 )FF16 - 411 - 26
2222chain 'F' and (resid 42 through 87 )FF42 - 8727 - 72
2323chain 'F' and (resid 88 through 98 )FF88 - 9873 - 83
2424chain 'F' and (resid 99 through 153 )FF99 - 15384 - 138
2525chain 'G' and (resid 20 through 98 )GG20 - 981 - 79
2626chain 'G' and (resid 99 through 155 )GG99 - 15580 - 136
2727chain 'H' and (resid 21 through 67 )HH21 - 671 - 47
2828chain 'H' and (resid 68 through 121 )HH68 - 12148 - 81
2929chain 'H' and (resid 122 through 154 )HH122 - 15482 - 113

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