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- PDB-8bmx: Bacteroides thetaiotaomicron B12 TonB dependent transporter in co... -

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Basic information

Entry
Database: PDB / ID: 8bmx
TitleBacteroides thetaiotaomicron B12 TonB dependent transporter in complex with a surface lipoprotein
Components
  • Putative TonB-linked outer membrane receptor
  • YncE family protein
KeywordsMEMBRANE PROTEIN / Vitamin B12 Transport Complex Outer membrane
Function / homology
Function and homology information


siderophore transmembrane transport / siderophore uptake transmembrane transporter activity / cell outer membrane
Similarity search - Function
Protein of unknown function DUF5074 / Domain of unknown function (DUF5074) / : / Cytochrome cd1-nitrite reductase-like, haem d1 domain superfamily / TonB-dependent receptor-like, beta-barrel / TonB dependent receptor-like, beta-barrel / TonB-dependent receptor (TBDR) proteins profile. / Vitamin B12 transporter BtuB-like / TonB-dependent receptor, plug domain superfamily / TonB-dependent receptor, plug domain ...Protein of unknown function DUF5074 / Domain of unknown function (DUF5074) / : / Cytochrome cd1-nitrite reductase-like, haem d1 domain superfamily / TonB-dependent receptor-like, beta-barrel / TonB dependent receptor-like, beta-barrel / TonB-dependent receptor (TBDR) proteins profile. / Vitamin B12 transporter BtuB-like / TonB-dependent receptor, plug domain superfamily / TonB-dependent receptor, plug domain / TonB-dependent Receptor Plug Domain / TonB-dependent receptor-like, beta-barrel domain superfamily / Prokaryotic membrane lipoprotein lipid attachment site profile. / WD40/YVTN repeat-like-containing domain superfamily
Similarity search - Domain/homology
YncE family protein / TonB-linked outer membrane receptor
Similarity search - Component
Biological speciesBacteroides thetaiotaomicron VPI-5482 (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.72 Å
AuthorsAbellon-Ruiz, J. / Jana, K. / Silale, A. / Basle, A. / Kleinekathofer, U. / van den Berg, B.
Funding support United Kingdom, 1items
OrganizationGrant numberCountry
Wellcome Trust214222/Z/18/Z United Kingdom
CitationJournal: Nat Commun / Year: 2023
Title: BtuB TonB-dependent transporters and BtuG surface lipoproteins form stable complexes for vitamin B uptake in gut Bacteroides.
Authors: Javier Abellon-Ruiz / Kalyanashis Jana / Augustinas Silale / Andrew M Frey / Arnaud Baslé / Matthias Trost / Ulrich Kleinekathöfer / Bert van den Berg /
Abstract: Vitamin B (cobalamin) is required for most human gut microbes, many of which are dependent on scavenging to obtain this vitamin. Since bacterial densities in the gut are extremely high, competition ...Vitamin B (cobalamin) is required for most human gut microbes, many of which are dependent on scavenging to obtain this vitamin. Since bacterial densities in the gut are extremely high, competition for this keystone micronutrient is severe. Contrasting with Enterobacteria, members of the dominant genus Bacteroides often encode several BtuB vitamin B outer membrane transporters together with a conserved array of surface-exposed B-binding lipoproteins. Here we show that the BtuB transporters from Bacteroides thetaiotaomicron form stable, pedal bin-like complexes with surface-exposed BtuG lipoprotein lids, which bind B with high affinities. Closing of the BtuG lid following B capture causes destabilisation of the bound B by a conserved BtuB extracellular loop, causing translocation of the vitamin to BtuB and subsequent transport. We propose that TonB-dependent, lipoprotein-assisted small molecule uptake is a general feature of Bacteroides spp. that is important for the success of this genus in colonising the human gut.
History
DepositionNov 11, 2022Deposition site: PDBE / Processing site: PDBE
Revision 1.0Sep 20, 2023Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
C: Putative TonB-linked outer membrane receptor
A: Putative TonB-linked outer membrane receptor
B: Putative TonB-linked outer membrane receptor
D: YncE family protein
E: YncE family protein
F: YncE family protein


Theoretical massNumber of molelcules
Total (without water)365,9696
Polymers365,9696
Non-polymers00
Water00
1
C: Putative TonB-linked outer membrane receptor
D: YncE family protein


Theoretical massNumber of molelcules
Total (without water)121,9902
Polymers121,9902
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
A: Putative TonB-linked outer membrane receptor
E: YncE family protein


Theoretical massNumber of molelcules
Total (without water)121,9902
Polymers121,9902
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
B: Putative TonB-linked outer membrane receptor
F: YncE family protein


Theoretical massNumber of molelcules
Total (without water)121,9902
Polymers121,9902
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)280.250, 154.300, 107.510
Angle α, β, γ (deg.)90.000, 106.960, 90.000
Int Tables number5
Space group name H-MC121
Space group name HallC2y
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z
#4: -x+1/2,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 45 through 185 or resid 188 through 442 or resid 445 through 682))
d_2ens_1(chain "B" and (resid 45 through 442 or resid 445 through 682))
d_3ens_1(chain "C" and (resid 45 through 185 or resid 188...
d_1ens_2chain "D"
d_2ens_2chain "E"
d_3ens_2chain "F"

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_1PROPROTHRTHRCA45 - 18545 - 185
d_12ens_1ASPASPLYSLYSCA188 - 442188 - 442
d_13ens_1ASNASNPROPROCA445 - 682445 - 682
d_21ens_1PROPROLYSLYSAB45 - 44245 - 442
d_22ens_1ASNASNPROPROAB445 - 682445 - 682
d_31ens_1PROPROTHRTHRBC45 - 18545 - 185
d_32ens_1ASPASPASPASPBC188 - 326188 - 326
d_33ens_1GLUGLULYSLYSBC331 - 442331 - 442
d_34ens_1ASNASNGLYGLYBC445 - 491445 - 491
d_35ens_1ALAALAPROPROBC497 - 682497 - 682
d_11ens_2CYSCYSLYSLYSDD32 - 36632 - 366
d_21ens_2CYSCYSLYSLYSEE32 - 36632 - 366
d_31ens_2CYSCYSLYSLYSFF32 - 36632 - 366

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(-0.363243966507, -0.83603075165, -0.411225489351), (0.852172628046, -0.476552586302, 0.216100542569), (-0.376637269539, -0.271937887732, 0.885547374458)160.789356746, -9.50469092475, 67.4543313747
2given(0.355323196033, -0.881301087139, 0.311534621139), (-0.844146536532, -0.445675891671, -0.297975878963), (0.401449936134, -0.157103129791, -0.902306242574)44.0579452967, 73.9160135686, -2.6924388555
3given(0.356118302968, -0.845856276102, 0.397123298825), (-0.877407671908, -0.44888314879, -0.169291748202), (0.321458444543, -0.288151139006, -0.902016291162)48.0053553058, 71.4471470552, 4.92994758866
4given(0.470528838162, 0.801688428283, 0.368643834093), (0.790138847288, -0.568779841617, 0.228407735807), (0.392789020295, 0.183807387574, -0.901072488654)81.5958796825, -1.6860150138, 33.8635541178

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Components

#1: Protein Putative TonB-linked outer membrane receptor


Mass: 79382.328 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Bacteroides thetaiotaomicron VPI-5482 (bacteria)
Strain: ATCC 29148 / DSM 2079 / JCM 5827 / CCUG 10774 / NCTC 10582 / VPI-5482 / E50
Gene: BT_1953
Production host: Bacteroides thetaiotaomicron VPI-5482 (bacteria)
References: UniProt: Q8A6D1
#2: Protein YncE family protein


Mass: 42607.184 Da / Num. of mol.: 3 / Source method: isolated from a natural source
Source: (natural) Bacteroides thetaiotaomicron VPI-5482 (bacteria)
References: UniProt: D0TRB6

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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: 3.04 Å3/Da / Density % sol: 59.51 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 0.08M magnesium acetate tetrahydrate, 0.1M sodium citrate pH 6.0, 14% PEG 5000 MME

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.9795 Å
DetectorType: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Jul 19, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9795 Å / Relative weight: 1
ReflectionResolution: 3.7→76.3 Å / Num. obs: 45671 / % possible obs: 99.3 % / Redundancy: 3.8 % / Biso Wilson estimate: 110.85 Å2 / CC1/2: 0.9 / Net I/σ(I): 4.2
Reflection shellResolution: 3.7→3.8 Å / Num. unique obs: 4561 / CC1/2: 0.3

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
PHENIX1.20.1_4487refinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1NQE

1nqe


Resolution: 3.72→72.06 Å / SU ML: 0.632 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 34.0739
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.318 2231 4.89 %
Rwork0.2529 43405 -
obs0.2561 45636 99.09 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 124.52 Å2
Refinement stepCycle: LAST / Resolution: 3.72→72.06 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms23367 0 0 0 23367
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003824013
X-RAY DIFFRACTIONf_angle_d0.950832583
X-RAY DIFFRACTIONf_chiral_restr0.05843391
X-RAY DIFFRACTIONf_plane_restr0.00614188
X-RAY DIFFRACTIONf_dihedral_angle_d4.7853200
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2BX-RAY DIFFRACTIONTorsion NCS0.884382757783
ens_1d_3BX-RAY DIFFRACTIONTorsion NCS0.918203493468
ens_2d_2DX-RAY DIFFRACTIONTorsion NCS0.329012844846
ens_2d_3DX-RAY DIFFRACTIONTorsion NCS0.352146402669
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.72-3.80.42141220.33942717X-RAY DIFFRACTION99.75
3.8-3.890.36771560.33352720X-RAY DIFFRACTION99.83
3.89-3.990.38181520.3412706X-RAY DIFFRACTION99.55
3.99-4.090.33181400.31542711X-RAY DIFFRACTION99.27
4.09-4.210.34631420.2972692X-RAY DIFFRACTION99.44
4.21-4.350.34011420.27862691X-RAY DIFFRACTION98.99
4.35-4.510.31021300.2582698X-RAY DIFFRACTION98.67
4.51-4.690.31941290.2492721X-RAY DIFFRACTION98.58
4.69-4.90.29711390.24192669X-RAY DIFFRACTION98.53
4.9-5.160.31361420.22982717X-RAY DIFFRACTION99.31
5.16-5.480.30121360.2452714X-RAY DIFFRACTION99.58
5.48-5.90.34261250.25282745X-RAY DIFFRACTION99.58
5.9-6.50.30091500.2442736X-RAY DIFFRACTION99.72
6.5-7.440.29211410.23412727X-RAY DIFFRACTION99.69
7.44-9.360.31381600.21652743X-RAY DIFFRACTION99.52
9.37-72.060.28291250.21512698X-RAY DIFFRACTION95.69
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)
10.352753941457-0.508793256386-0.0329601885162-0.209185805301-0.169850905988-0.3478399273610.662977639118-0.2783251934260.726162896457-0.842569934186-0.285927131799-0.959425100539-0.0636600244516-0.3063088699390.001840180030721.13971014724-0.1387461575640.1254474174451.01851898325-0.09066962393270.83432554171158.793886546919.483067019736.6476532429
2-0.234843626797-0.114467638888-0.3495599389520.0615484794939-0.2492435447560.548842850301-0.1747372245670.01069687764780.152874505856-0.0735002436010.106908078545-0.08191785180430.0787821811058-0.124787217915-2.39299542334E-51.04246114313-0.0372508681811-0.04130224118330.7595566520190.07509352477070.9177614067363.719101256214.921209984929.1918505427
30.114570317273-0.0782124419538-0.291872892028-0.576678325223-0.4575762290330.387072724385-1.18798970626-0.418966209088-0.173745851454-0.1139651817010.4943059051780.0604902537232-0.368290425686-0.108687157005-0.009604452407420.83721811203-0.002879234262670.06321977956630.695248584787-0.05605222765880.9708648835172.288001794111.862660250226.0843995091
40.144939249472-0.1353518924160.350864160022-0.5287606335360.02865025957030.2714229418480.0586846333649-0.712077629064-1.083412967650.1281887360860.0009216771018230.2145104081840.003683626351150.234400734878-9.1457733682E-51.10705039107-0.08787651272190.02434615391520.8279897235630.1014222231760.96467917005260.2162630633.5173939142824.8204255709
50.7674700154040.344919078142-0.175046395548-0.438059433117-0.5719790254780.61776350258-0.5527655394870.0323620478157-0.324207046650.3387590423950.316717739181-0.1490896076950.720470149106-0.2841749977270.0001784786182330.913292673394-0.006226621890490.1065936715020.855462480775-0.08848786580580.59059109632652.0877536962-2.3611531170836.2617063629
60.801678630618-0.3959545184260.9079828504340.557133582637-0.7170670585430.417485923183-0.134363261146-0.325635067792-0.229455283574-0.04732759630250.08528650169960.2984439542420.249864253128-0.2069918498350.09437263450370.652698555152-0.03902948265270.1637891183210.7485268986150.01973358505610.68599129570955.86653565136.7262361830949.7996635506
70.27493808768-0.35721029661-0.5491030050240.413221463507-0.3524561070860.0728209628268-0.15256657613-0.1835630069630.205049929803-0.262320291273-0.0128709652395-0.4779879519930.150356152958-0.01151533008849.65251382369E-51.01433352998-0.153429559112-0.07903697410620.777255491481-0.07505737425720.75613448008867.000738712624.991842067841.0012836885
81.04141844881-0.257712133323-0.76170152256-0.205487173849-0.0544984478250.1458466544130.189454904606-0.359163429397-0.209427815448-0.7206446524640.013423167112-0.07962363043480.360971160058-0.2076686009277.43739948123E-51.07451112895-0.0221257324931-0.09229591772490.92982993469-0.07379414162410.76534113068466.87023148895.19280724729-14.676908409
90.988527019285-0.3144009752390.5178506960030.9926392769250.4763419838030.8244090591190.1763750138260.171983294509-0.00758063564061-0.128845124357-0.1389803365470.212657098864-0.302967833054-0.171646629665-0.0001547193787071.00246928448-0.05424026059660.156867849110.983860360615-0.04258616913690.86833864055669.973721060510.3186569359-9.2956680364
100.2425113626030.231498277161-0.95000183360.6792978868670.538702171632-0.2258371822410.2285787230650.165575853167-0.1025097600790.351602077383-0.581712880627-0.2205350353450.09734904347280.05826792241867.64465879051E-50.955307539441-0.005660433702820.03076414998510.89198267031-0.07470525474240.82518866997470.0818201031-5.195338645220.818894286809
111.47269571386-1.565993763960.622904553861.46117765581-0.593805173113-0.0925460272875-0.519937071154-0.4633594613260.4152654390581.418787524560.420137182117-0.691393928860.0262572563454-0.07200667332780.001552534463020.812305078307-0.1694041764470.09253207941020.900665150276-0.09996470845980.88744477085373.87676227749.72353192604-0.185660631346
120.8369246286290.142395717549-0.6710084515960.2457859191940.2565341713911.37248340460.106766666383-0.2503467136540.0988574763757-0.0373168091625-0.000693466020244-0.0412646726964-0.378483333003-0.440825836694-4.47828742243E-50.847736345419-0.03037037313970.0004222471266930.81244375037-0.07478008622660.88708470661884.873065695713.9079282568-0.109080220613
131.36812049877-1.460110269550.2457255000680.4691880178080.6945841975570.397389072521-0.0822336742780.2248344636130.9129188313470.00626267307009-0.3262285570780.367327692824-0.573176820441-0.1455006935680.2486194975171.278832357990.0974930251310.1463746146841.00711884330.1732155673840.94120790592875.668185876924.8424009176-25.4240404866
142.10750460821-1.514829485721.945003267871.09162908969-1.132742553842.04276409778-0.2336434984191.283048674870.314455612046-0.456236441938-0.419172713438-0.421473240407-1.416956158461.56809750784-0.1013498594311.275480977440.1705811962460.1944434099960.595632945235-0.09289244578570.85895821584582.023884574512.7501346356-23.4617017076
150.566258993999-0.714892108931.144309443980.699817123062-0.067344886552-0.6933372377970.01968052351980.211357712587-0.0762315715989-0.170193075265-0.192011081802-0.127905563577-0.04999125766440.152328521174-0.0003824950773850.741561230899-0.02513118125110.02187006696570.85842096691-0.06388879789210.65714043691270.9708710171-4.11275987005-17.5511635438
160.418105581146-0.46687180747-0.6003469752560.4522090953510.836209460540.334844158615-0.264586681668-0.6746875516070.2539847656-1.113168917371.27923527217-0.409655722409-0.2215958593040.2535800148140.06086833949161.2194157633-0.103601058754-0.1772844788421.02599022634-0.00313899019661.25635078678138.21903151841.937697600527.9168898242
170.29339976322-0.377604452386-0.661873500686-0.002290829782530.7545170265690.877018296509-0.06523086892610.1707790725310.223882535032-0.549955360476-0.3501319684420.406021015320.264850819909-0.305065038424.17727002073E-51.117418042170.0513107582397-0.2227857992621.020440056770.1470314907681.3231384562130.4915683943.23987634330.0776293433
180.9558933595230.0470045438859-0.7855710901310.156767716629-0.1245708238670.251153192687-0.134513604662-0.355515435670.1693013917820.4914841513090.1272289317540.10180350145-0.07417336348610.154111341190.0001962327840280.9589955308990.139090530532-0.2836673462841.288661990880.331183662771.01863172552141.39757325753.590224617144.3562761363
19-0.554928529427-0.07566171991290.1254561278840.08462690139510.5631786518670.331234342988-0.2482208934650.03282103251260.499709933955-0.6895296769280.1572201516950.845726993341-0.3479159843510.0362783355874-0.000218758375590.8569621174930.071825681949-0.1156709774711.076846857870.1549916730011.41495409254129.02853335352.122879209838.9285722976
20-0.5604482813480.162815769063-0.3308838313730.239563620935-0.5170588942710.8513249125720.241915379312-0.0571278332559-0.28914754346-1.46223560050.369182179237-0.476736126663-0.480066677666-0.165191936468.36678431124E-50.9899243323120.256217176472-0.2553519898541.039245480520.04911936536211.86976789639117.05510247845.199322376625.3511086862
210.426635771632-0.2989833335210.07150708614090.46632487927-1.129774219831.263163839480.3532995419380.211578079730.0474440913492-0.81783840052-0.1244226976820.3899581695520.0409746728747-0.80716404106-0.0003563645721090.68412289938-0.163692826753-0.2750942083380.7981677408470.178574260391.49661995336117.39890564351.895418443619.1502428182
220.839228699901-1.100444998910.2883051772760.834421665756-1.125078830820.801317809843-0.3120745829330.214850413620.0764978325763-0.7076262875850.47238517640.44976964210.100358531779-0.2753197550290.02044541759821.243805185210.00592424469163-0.3704052591540.9736163238190.08410765096521.22409379967130.50148733851.010157291712.2183649529
23-0.4709266075011.65146075988-1.471298055941.528365170481.028273996520.27175059783-0.256215093404-0.06419308013770.1141897874050.04526879045740.256026976170.1041422283770.0139993854428-0.555262869021-0.0004259812922220.7948007177470.0308204081423-0.039500995031.077308803040.1417052382940.979042682464148.23295788546.374620794228.0983179007
240.636715837731-1.64519133973-1.066962354770.7487636466091.104397167670.802853258418-0.0953240896558-0.3463730261980.1192071566110.254675440626-0.213878377006-0.1360722560150.179064609594-0.0158653633472-3.60846186941E-50.8926265940240.107743846926-0.02044344661531.06126210589-0.07030816709151.0017455272894.04617792867.7283460650652.7286473715
250.315061472576-0.200377181239-0.2376616700130.3354743631070.3162999811250.875546061252-0.376699881185-0.57695748390.3371155292040.7707062361530.01027966290450.194777581179-0.0278812030938-0.0421146641141-0.0001947714540110.773855502912-0.02416848911640.05892412357730.90364214017-0.04897911544410.754025566655100.931042416-0.98771972148739.8384835052
260.479110127913-0.50533231194-0.4610718010750.4907332204350.5125227083580.7533786249960.2496914513510.5303871849510.34388163665-0.4362963187810.313743757253-0.1330512262670.07243640493620.4482258277040.0008357163899031.035303691350.07436539260880.01303834811010.951785607918-0.070408262850.96451646566196.8421809153-14.353876707234.9165372181
270.7384414824880.2836374683240.9762613473140.6964500762210.1300914581981.090105047510.344805913034-0.494774550749-0.220637068173-0.2781520357290.1225225086110.104136676322-0.03949520336220.1356739333120.0002820114230661.151360240170.04202111764360.09819030503780.929673956030.03840305629680.89429902597593.0057905052-23.258691540143.2052534621
28-0.03363441048230.0112714669316-0.01182890250180.129305191515-0.3120959780770.2182206443560.635218914497-0.223384437223-0.868337461514-0.794765996615-0.497547451514-1.849002836210.828218885023-0.6582024065350.001829808327211.09180578099-0.02351510589110.1938476037461.305503368440.1393911665611.673087923692.5066384036-22.681282690159.3448170117
290.005207400714480.03225965793630.2611737172250.1769005594550.0363013125630.348424506136-0.489927186315-0.127509065709-0.9614600384820.2452013476740.1858649313840.3086434408570.4395585870250.128878765037-0.00112090630241.157175964420.02642784497910.2481522861730.9997758580730.1515812787551.1354870263789.1234893642-11.229273411362.4436870597
300.0803271715560.2211026904860.1336891494050.19332539772-0.0201820631810.40934451544-0.154703261456-0.01602317235680.511802427995-0.146395074599-0.598257557288-0.4114403777090.3716672787280.131072704776-5.05531275659E-60.9813079199450.01043119326680.151604772740.9648770217590.1293399847090.97999901122888.5813714244-3.8046557764361.8131887599
310.816609353689-0.02087895924610.161048044010.0217275481305-0.1168256753260.747713443083-0.1700381516150.323988394395-0.546137991705-0.890208035329-0.267603338919-0.206341438681-0.37953273855-0.457833672743-0.0001208497902781.433646040480.1149825250550.09778360655681.238697044330.01253024651071.0107094257591.66662176-22.1864485887-15.0148145483
320.402339117919-0.357168582816-0.0158038572872-0.138844944812-0.0920104628071-0.01259672319620.2648295477960.119023857289-0.3200254270330.0700332622739-0.4696294262070.3340552734131.239132757260.3375435585517.40554891816E-51.363881789910.1476272812120.0603185840381.063548128790.00425193448230.91431492969599.6968223316-24.5512884421-14.1880432999
331.21314523976-0.4949881981110.9519653142530.23866766473-0.04941702743450.5270589794740.0456047471108-0.2148897365750.162999533521-0.530483553652-0.129870383395-0.006818518573-0.1439444969630.5181553802810.0001518818018531.05935864483-0.08514453573570.01624013253010.8861597226070.08425657402550.813915184813101.233417389-20.85770437163.85901875497
340.1452201330990.128615226341-0.3775678082080.427388788711-0.2177972085090.304457709887-0.3734494227630.207158274690.109691331514-0.282870194805-0.0411887590962-0.761662208785-0.1861201034970.7072642511145.94604523839E-61.09014156512-0.18932209856-0.0199978622211.175287032070.03134206040071.01398642463115.782754316-13.46959015557.297912641
350.358562080416-0.2496100685980.583746787627-0.04247510898640.2323701718910.35511832553-0.888337535942-0.1304531922180.6646932969590.2083005046760.41972050685-0.4670662689770.799636843079-0.722602825591-0.0005690663165481.14621550212-0.09735960942920.04744676868991.499630876040.008620146678811.424148216118.447340724-2.8355460574-0.971095459828
360.2165088315870.030425044775-0.04556268634520.03193119644970.1539365775260.1967563864520.179522109626-0.522101752716-0.752966289719-0.35508423271-0.754854291593-1.743391515441.043437790640.3178358222710.0004184656203841.253298059090.115431298086-0.1080046480941.160389329120.1726639564311.15707362511123.729920316-9.69223195995-12.4561795131
370.826243592975-1.21341630201-0.09379498587184.324978959380.1522821038540.147462809194-0.3134109255690.3292212584230.3562515666561.658562538010.365591436784-1.4190263138-1.22811058266-0.443438139970.1299660493741.08057481291-0.001632749534240.2017695460961.081131043760.07351362923690.647966002942110.486738177-11.0699270471-19.5626862958
380.06431379070830.1256526505130.2219358589080.762099723824-0.5042998454580.8941648223870.74736234292-0.394510705879-0.1104483850940.468091398364-0.1351895378470.0891312156417-1.910000336281.44288568892-0.01353073148371.277310760980.0924930890970.3057759511711.25933573138-0.06673980841871.07042560865109.947943207-17.3205739456-21.3580272474
390.0214461393262-0.630176666391-0.5775133607470.5635689803950.8875754580780.183404058815-0.0411380406732-0.2246899910930.201059947901-0.1206338563810.2071910132910.2852061025360.0853250144336-0.0845785420610.0001980241628381.046419084280.0404959695594-0.1331488807361.18083202669-0.01852702575321.20581414848151.61256213280.27765176124.711458281
400.259665231925-0.0475242670246-0.2581481093870.2901084617-0.6495676522130.0620667079932-0.4754208287170.2490880750680.405421472590.03652436388010.3611699656840.370348764926-0.557194805202-0.02462181340880.0001333660571840.686386071224-0.06132042004270.03252003242091.13089583809-0.1539881327681.17779673066142.99571164187.690164644537.3875452059
41-0.194898499419-0.147566106062-0.2116085349090.885775934550.700193547681.311755612850.0990737717888-0.0438037409025-0.405023759491.017756480940.1604259279090.54307039584-1.65244059269-0.2238336826940.009192217282291.016077569430.2063019533060.02575122556041.53256403669-0.07278732499711.71122340233127.47083997994.214767305336.1753448014
420.04906960853070.253318545835-0.1849682388740.311069154207-0.5955231017850.370407978999-0.857388286447-0.1456414265470.285941238789-0.7634220038040.6732366691590.1777607045060.6212183421161.11003933076-0.03569023056080.940465928564-0.20373771697-0.3843338998381.211405156320.09419051511162.06386976874120.15230747792.745413991922.807339276
430.453549589657-0.254846020527-0.115138298932-0.0500005320813-0.1610617929360.00812881467273-0.726459219943-0.4654284337780.620116643871-0.398743846690.6577479104691.19111894235-0.7595787883510.591748671941-4.42800359552E-51.23251391063-0.0168060476096-0.3718835771981.09930716960.01089841857311.68074304788132.69232879494.161801938111.5658567786
441.51029782069-0.283326864313-0.8496239234020.3370354412470.3662871564150.918108187943-0.265912131110.0354854260790.548337928159-0.2457184874360.1450874211440.443359194918-0.514530404331-1.658655204820.2609518535391.194071631450.0552317334569-0.3091855448291.156074941630.06612348569680.940553208733143.14182234884.534184712912.3610433885
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'C' and (resid 45 through 90 )CA45 - 901 - 46
22chain 'C' and (resid 91 through 222 )CA91 - 22247 - 178
33chain 'C' and (resid 223 through 284 )CA223 - 284179 - 240
44chain 'C' and (resid 285 through 332 )CA285 - 332241 - 285
55chain 'C' and (resid 333 through 430 )CA333 - 430286 - 383
66chain 'C' and (resid 431 through 535 )CA431 - 535384 - 486
77chain 'C' and (resid 536 through 682 )CA536 - 682487 - 633
88chain 'A' and (resid 45 through 90 )AB45 - 901 - 46
99chain 'A' and (resid 91 through 176 )AB91 - 17647 - 132
1010chain 'A' and (resid 177 through 255 )AB177 - 255133 - 210
1111chain 'A' and (resid 256 through 309 )AB256 - 309211 - 264
1212chain 'A' and (resid 310 through 393 )AB310 - 393265 - 344
1313chain 'A' and (resid 394 through 445 )AB394 - 445345 - 396
1414chain 'A' and (resid 446 through 511 )AB446 - 511397 - 457
1515chain 'A' and (resid 512 through 682 )AB512 - 682458 - 628
1616chain 'B' and (resid 45 through 90 )BC45 - 901 - 46
1717chain 'B' and (resid 91 through 176 )BC91 - 17647 - 132
1818chain 'B' and (resid 177 through 222 )BC177 - 222133 - 176
1919chain 'B' and (resid 223 through 332 )BC223 - 332177 - 282
2020chain 'B' and (resid 333 through 373 )BC333 - 373283 - 323
2121chain 'B' and (resid 374 through 430 )BC374 - 430324 - 380
2222chain 'B' and (resid 431 through 535 )BC431 - 535381 - 480
2323chain 'B' and (resid 536 through 682 )BC536 - 682481 - 627
2424chain 'D' and (resid 32 through 100 )DD32 - 1001 - 69
2525chain 'D' and (resid 101 through 161 )DD101 - 16170 - 130
2626chain 'D' and (resid 162 through 198 )DD162 - 198131 - 167
2727chain 'D' and (resid 199 through 276 )DD199 - 276168 - 245
2828chain 'D' and (resid 277 through 306 )DD277 - 306246 - 275
2929chain 'D' and (resid 307 through 331 )DD307 - 331276 - 300
3030chain 'D' and (resid 332 through 366 )DD332 - 366301 - 335
3131chain 'E' and (resid 32 through 63 )EE32 - 631 - 32
3232chain 'E' and (resid 64 through 100 )EE64 - 10033 - 69
3333chain 'E' and (resid 101 through 181 )EE101 - 18170 - 150
3434chain 'E' and (resid 182 through 229 )EE182 - 229151 - 198
3535chain 'E' and (resid 230 through 276 )EE230 - 276199 - 245
3636chain 'E' and (resid 277 through 306 )EE277 - 306246 - 275
3737chain 'E' and (resid 307 through 339 )EE307 - 339276 - 308
3838chain 'E' and (resid 340 through 366 )EE340 - 366309 - 335
3939chain 'F' and (resid 32 through 100 )FF32 - 1001 - 69
4040chain 'F' and (resid 101 through 161 )FF101 - 16170 - 130
4141chain 'F' and (resid 162 through 229 )FF162 - 229131 - 198
4242chain 'F' and (resid 230 through 276 )FF230 - 276199 - 245
4343chain 'F' and (resid 277 through 331 )FF277 - 331246 - 300
4444chain 'F' and (resid 332 through 366 )FF332 - 366301 - 335

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