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- PDB-6zg3: the structure of ECF PanT transporter in a complex with a nanobody -

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Basic information

Entry
Database: PDB / ID: 6zg3
Titlethe structure of ECF PanT transporter in a complex with a nanobody
Components
  • (Energy-coupling factor transporter ATP-binding protein ...) x 2
  • CA14381 nanobody
  • Conserved hypothetical membrane protein
  • Putative cobalt ABC transporter, permease protein
KeywordsTRANSPORT PROTEIN / ECF transporter / vitamin transport / pantothenate / membrane protein
Function / homology
Function and homology information


Translocases / Hydrolases; Acting on acid anhydrides; Acting on acid anhydrides to catalyse transmembrane movement of substances / transmembrane transporter activity / ATPase-coupled transmembrane transporter activity / ATP-binding cassette (ABC) transporter complex / membrane => GO:0016020 / ATP hydrolysis activity / ATP binding / plasma membrane
Similarity search - Function
ECF transporter, substrate-specific component / ECF transporter transmembrane protein EcfT / ECF transporter, substrate-specific component / Energy-coupling factor transporter ATP-binding protein EcfA2 / Energy-coupling factor transporter ATP-binding protein EcfA1 / ABC/ECF transporter, transmembrane component / Cobalt transport protein / Cobalt import ATP-binding protein cbiO. / ABC transporter, CbiO/EcfA subunit / ABC transporter-like, conserved site ...ECF transporter, substrate-specific component / ECF transporter transmembrane protein EcfT / ECF transporter, substrate-specific component / Energy-coupling factor transporter ATP-binding protein EcfA2 / Energy-coupling factor transporter ATP-binding protein EcfA1 / ABC/ECF transporter, transmembrane component / Cobalt transport protein / Cobalt import ATP-binding protein cbiO. / ABC transporter, CbiO/EcfA subunit / ABC transporter-like, conserved site / ABC transporters family signature. / ABC transporter / ABC transporter-like, ATP-binding domain / ATP-binding cassette, ABC transporter-type domain profile. / ATPases associated with a variety of cellular activities / AAA+ ATPase domain / P-loop containing nucleoside triphosphate hydrolase
Similarity search - Domain/homology
CITRIC ACID / DI(HYDROXYETHYL)ETHER / Conserved hypothetical membrane protein / Energy-coupling factor transporter transmembrane protein EcfT / Energy-coupling factor transporter ATP-binding protein EcfA2 / Energy-coupling factor transporter ATP-binding protein EcfA1
Similarity search - Component
Biological speciesLactobacillus delbrueckii subsp. bulgaricus ATCC 11842 = JCM 1002 (bacteria)
Lama glama (llama)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.8 Å
AuthorsSetyawati, I. / Guskov, A. / Slotboom, D.J.
Funding support Netherlands, 1items
OrganizationGrant numberCountry
Netherlands Organisation for Scientific Research (NWO) Netherlands
CitationJournal: Elife / Year: 2020
Title: In vitro reconstitution of dynamically interacting integral membrane subunits of energy-coupling factor transporters.
Authors: Setyawati, I. / Stanek, W.K. / Majsnerowska, M. / Swier, L.J.Y.M. / Pardon, E. / Steyaert, J. / Guskov, A. / Slotboom, D.J.
History
DepositionJun 18, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Mar 3, 2021Provider: repository / Type: Initial release
Revision 1.1Jan 24, 2024Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Energy-coupling factor transporter ATP-binding protein EcfA1
B: Energy-coupling factor transporter ATP-binding protein EcfA2
C: Conserved hypothetical membrane protein
D: Putative cobalt ABC transporter, permease protein
E: CA14381 nanobody
F: Energy-coupling factor transporter ATP-binding protein EcfA1
G: Energy-coupling factor transporter ATP-binding protein EcfA2
H: Conserved hypothetical membrane protein
I: Putative cobalt ABC transporter, permease protein
J: CA14381 nanobody
hetero molecules


Theoretical massNumber of molelcules
Total (without water)271,25329
Polymers266,23310
Non-polymers5,02019
Water00
1
A: Energy-coupling factor transporter ATP-binding protein EcfA1
E: CA14381 nanobody
G: Energy-coupling factor transporter ATP-binding protein EcfA2
H: Conserved hypothetical membrane protein
I: Putative cobalt ABC transporter, permease protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)135,67013
Polymers133,1175
Non-polymers2,5538
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area18190 Å2
ΔGint-87 kcal/mol
Surface area50360 Å2
MethodPISA
2
B: Energy-coupling factor transporter ATP-binding protein EcfA2
C: Conserved hypothetical membrane protein
D: Putative cobalt ABC transporter, permease protein
F: Energy-coupling factor transporter ATP-binding protein EcfA1
J: CA14381 nanobody
hetero molecules


Theoretical massNumber of molelcules
Total (without water)135,58416
Polymers133,1175
Non-polymers2,46711
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area17550 Å2
ΔGint-91 kcal/mol
Surface area49790 Å2
MethodPISA
Unit cell
Length a, b, c (Å)97.290, 110.470, 110.500
Angle α, β, γ (deg.)88.997, 102.271, 102.244
Int Tables number1
Space group name H-MP1
Space group name HallP1
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and resid 2 through 280)
d_2ens_1chain "F"
d_1ens_2chain "B"
d_2ens_2(chain "G" and resid 2 through 283)
d_1ens_3(chain "C" and resid 1 through 501)
d_2ens_3(chain "H" and (resid 1 through 207 or (resid 601...
d_1ens_4(chain "D" and (resid 6 through 53 or resid 55 through 301))
d_2ens_4(chain "I" and (resid 6 through 53 or resid 55 through 301))
d_1ens_5(chain "E" and resid 2 through 126)
d_2ens_5chain "J"

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1SERSERA2 - 280
d_21ens_1SERSERJ1 - 279
d_11ens_2ALAGLYB1 - 282
d_21ens_2ALAGLYK2 - 283
d_11ens_3METARGC1 - 207
d_12ens_3LMTLMTD
d_21ens_3METARGL1 - 207
d_22ens_3LMTLMTM
d_11ens_4ILEALAG1 - 48
d_12ens_4VALHISG51 - 261
d_13ens_4LMTLMTH
d_21ens_4ILEALAQ1 - 48
d_22ens_4VALHISQ50 - 260
d_23ens_4LMTLMTR
d_11ens_5VALSERI2 - 126
d_21ens_5VALSERS1 - 125

NCS ensembles :
ID
ens_1
ens_2
ens_3
ens_4
ens_5

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Components

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Energy-coupling factor transporter ATP-binding protein ... , 2 types, 4 molecules AFBG

#1: Protein Energy-coupling factor transporter ATP-binding protein EcfA1 / ECF transporter A component EcfA1


Mass: 33166.418 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Details: His-tag with TEV cleavage site an N-terminus
Source: (gene. exp.) Lactobacillus delbrueckii subsp. bulgaricus ATCC 11842 = JCM 1002 (bacteria)
Gene: ecfA1, cbiO1, Ldb0424 / Production host: Escherichia coli (E. coli) / References: UniProt: Q1GBJ0, Translocases
#2: Protein Energy-coupling factor transporter ATP-binding protein EcfA2 / ECF transporter A component EcfA2


Mass: 31672.156 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lactobacillus delbrueckii subsp. bulgaricus ATCC 11842 = JCM 1002 (bacteria)
Gene: ecfA2, cbiO2, Ldb0425 / Production host: Escherichia coli (E. coli)
References: UniProt: Q1GBI9, Hydrolases; Acting on acid anhydrides; Acting on acid anhydrides to catalyse transmembrane movement of substances

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Protein , 2 types, 4 molecules CHDI

#3: Protein Conserved hypothetical membrane protein


Mass: 23008.416 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Details: StrepII tag at C-terminus
Source: (gene. exp.) Lactobacillus delbrueckii subsp. bulgaricus ATCC 11842 = JCM 1002 (bacteria)
Gene: Ldb0463 / Production host: Escherichia coli (E. coli) / References: UniProt: Q1GBG0
#4: Protein Putative cobalt ABC transporter, permease protein


Mass: 30290.283 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Lactobacillus delbrueckii subsp. bulgaricus ATCC 11842 = JCM 1002 (bacteria)
Gene: cbiQ, Ldb0426 / Production host: Escherichia coli (E. coli) / References: UniProt: Q1GBI8

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Antibody / Sugars , 2 types, 9 molecules EJ

#5: Antibody CA14381 nanobody


Mass: 14979.450 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Lama glama (llama)
#7: Sugar
ChemComp-LMT / DODECYL-BETA-D-MALTOSIDE


Type: D-saccharide / Mass: 510.615 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C24H46O11 / Comment: detergent*YM

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Non-polymers , 2 types, 12 molecules

#6: Chemical
ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C4H10O3
#8: Chemical ChemComp-CIT / CITRIC ACID


Mass: 192.124 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C6H8O7

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Details

Has ligand of interestN

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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: 4.26 Å3/Da / Density % sol: 71.11 %
Crystal growTemperature: 277.15 K / Method: vapor diffusion, hanging drop / pH: 4.5 / Details: 70mM citrate, 22% PEG 300

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Diamond / Beamline: I04-1 / Wavelength: 0.91587 Å
DetectorType: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Mar 19, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.91587 Å / Relative weight: 1
ReflectionResolution: 2.8→48.83 Å / Num. obs: 104704 / % possible obs: 96.7 % / Redundancy: 1.72 % / Biso Wilson estimate: 85.15 Å2 / CC1/2: 0.997 / Net I/σ(I): 4.7
Reflection shellResolution: 2.8→2.87 Å / Num. unique obs: 7625 / CC1/2: 0.195 / % possible all: 95

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Processing

Software
NameVersionClassification
PHENIX1.18.2_3874refinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5JSZ
Resolution: 2.8→48.83 Å / SU ML: 0.7043 / Cross valid method: FREE R-VALUE / σ(F): 1.91 / Phase error: 38.0686
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2764 5211 5 %
Rwork0.2423 99073 -
obs0.244 104284 96.39 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 110.3 Å2
Refinement stepCycle: LAST / Resolution: 2.8→48.83 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms17885 0 338 0 18223
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0118606
X-RAY DIFFRACTIONf_angle_d1.285825218
X-RAY DIFFRACTIONf_chiral_restr0.06452953
X-RAY DIFFRACTIONf_plane_restr0.00833135
X-RAY DIFFRACTIONf_dihedral_angle_d19.45356778
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.741179805629
ens_2d_2BX-RAY DIFFRACTIONTorsion NCS0.682950415462
ens_3d_2CX-RAY DIFFRACTIONTorsion NCS1.2684072142
ens_4d_2GX-RAY DIFFRACTIONTorsion NCS3.56149900773
ens_5d_2IX-RAY DIFFRACTIONTorsion NCS0.89093080817
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.8-2.830.50011740.4623327X-RAY DIFFRACTION95.53
6.9-8.680.20131710.18983249X-RAY DIFFRACTION95.24
8.69-48.830.23771660.22163180X-RAY DIFFRACTION93.05
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
13.044623695-1.935317324732.208448211133.14222730728-0.7785218684575.08044512864-0.7815936430060.9320749413450.2279399546040.2680883274-0.1691480627220.214083705784-0.7866571716421.538669750220.1521311694810.630045452447-0.112034558988-0.04563822879081.22959717450.3798276545450.5472183883940.90553981706879.269496057191.7740762564
21.63522688328-1.245503181480.6412171938594.06298626952-1.413071239813.1023464293-0.091535438036-0.0516674334445-0.114042079937-0.224587487290.1219692272550.02632269193770.175555829421-0.22180694660.08273707734210.550900493088-0.155287716068-0.04946672174440.6590156725340.06828345739290.69784264314-9.6102630135695.605417010685.5494371395
33.38325464404-1.333716559750.1347991790064.31306928357-2.660887718954.08954896278-0.132264023624-0.2253958113920.07911794599940.316072777116-0.181033861724-0.1729768151460.185691103450.2306662909230.3122776782210.63534291802-0.0982335428828-0.005000963685620.5901533118540.03390687492920.560030153076-10.372234273481.603146706199.33816493
46.07339739364-1.619428003430.7839720178438.942062515750.03757195985919.22412945267-0.8144417386570.525242478834-0.9644563440960.7358930782880.1087204705990.1307969749120.02071228537490.3850678966640.5648098090031.19363324284-0.2012485740940.1406969729121.122324485130.3623083113091.28430033141-19.962293379270.272565951115.030823295
57.370263212491.15590118366-0.3159913490965.2385308005-1.557632401646.24918223712-1.44803952251-0.1282429613511.302900818460.6917848028490.374232336726-0.135173102178-1.49974712935-0.172389124041.103712877421.28527586529-0.0663113998413-0.5162586885271.000552537110.1352041461511.29741291041-39.225865878159.599774215260.5101745693
68.94623095326-0.215902246352-4.26200433556.95475246514-0.6007883838773.02971336421-0.760142550119-0.196817466007-1.4152293298-0.633964138822-0.004773839473950.959708994931.92367799928-0.1243213666381.038378596330.97662430207-0.05624666773530.02011777554480.6430855881270.1008720822561.23849821838-41.568274572251.166919176471.2743802867
78.21508681831-1.09051874486-0.8160808953155.52046467806-4.620011705396.035425988090.0929538649174-0.4449588530690.6741759211960.395347511390.02126408122790.414896964651-1.961233968240.880125410252-0.1992091373630.742720423251-0.0848630984851-0.02377491498550.665539079654-0.008812848274010.785366376894-43.887553251959.658385321365.1992636143
88.22337585077-2.979063500135.680460616673.98890526578-2.221244247394.06260197549-0.7270492167210.626749283283-0.5749746541280.4163910680560.387458631851-0.707623825747-0.8753570550380.388181910724-0.416372358891.6688645564-0.0963359922850.01543946152180.6250614025540.01372915281511.07018936119-49.703776787549.740182983357.3806277325
94.77236146285-3.1530449491-1.150088332665.24297429333-2.423142690535.69606729789-0.130897346342-0.333120142636-0.9383882597040.180098360947-0.2746438417550.4039849255720.1309723192440.2538001996970.05746829196390.761173774298-0.203262803032-0.03314729941690.7754245570460.2445571873620.874322993943-59.821178781261.649606826168.7623425835
103.48104116894-0.759072755595-1.564786339123.589673839840.08542047463676.50647741788-0.3793506160430.0187239304181-0.762573637334-1.622517213121.486777640752.316909610790.545991414653-1.10012901951-0.986702802261.50266726696-0.505980405329-0.2361969910031.401072070960.4915417903191.65497721868-70.498651256557.561608468873.3382637341
112.94339867226-3.672092976951.418437534664.31532409746-2.069834156284.34690698521-0.258338507695-0.62681112102-0.5489173556260.17107790030.299581886836-0.09157539774610.28420975939-0.106639665476-0.1805847461110.870925117542-0.2786042979040.05774620980640.7856150757730.1345720525651.06539958241-62.276246200864.248623640679.3572077602
123.534567527483.561024771360.8276218315066.007010161515.293942039518.4564648138-0.251699772833-0.883520218968-1.176405953710.746178043271-0.645155659603-0.5364526312440.7776622419520.2731123522510.9471259868361.66080628794-0.410113773287-0.431738516830.7704035721250.1685327167641.85030806426-54.832145110356.81201964386.0962898209
136.95967720465-1.148819722262.881547244540.3104525323690.4093323543855.34396397975-0.05334869249650.379071929111-0.237255481812-0.2326006079570.1164825031590.3544503934120.08031612217320.806580534834-0.09796406682580.92793587437-0.0834719410591-0.01645763265360.5599049581690.03266002229671.07733433902-36.750270803656.236300466780.1493303921
147.197740643226.39906869676-1.030724950898.185356558510.1888423184352.234319892480.1061346833990.6745899404711.467194302361.31604760542-0.455692930548-0.199292126902-0.3890378248691.09644283626-0.2241362543371.07452374070.132057590877-0.1958404673861.013322677480.2743117976641.42982250749-32.834825584854.789774924299.3432385551
152.298175014231.204605399042.604593151821.44417179231.054926398149.48510230317-0.0532131664618-0.7811122668410.164129802115-0.497216993333-1.037257063770.940192667145-1.44943174703-2.72244949510.9200444021760.694931574908-0.0654167170947-0.02589059150331.30811321074-0.02460909722541.09180824884-60.269398157992.133380189270.2635969596
163.09655580365.172148340183.322294118338.987758361855.032828730384.276677591571.68067750020.3803527538390.3509857787130.54991992785-2.01456577953-1.514899919930.285664697103-0.7909134928150.05028097861870.8418435785630.2623804340480.1589560531751.992634848390.02768224850841.29096831411-62.076825384475.242725275749.1013252065
175.439242049612.611391221873.004375538633.25219266612.48876758412.210514578970.6863181733782.89428797945-0.325586197117-0.597791607093-0.345685027888-0.3879376590783.649424546281.045902968290.1950363619961.89272379023-0.190313590811-0.4115557480411.659109810590.1248317486371.10483068662-65.481407719178.709443155645.5753147597
186.012456480342.00350112570.125768900837.40361467218-1.897748824963.95324251049-0.0816257087843-0.05981420235350.2412451728650.543779297322-0.971199364375-0.00707353248065-0.181516387827-0.5609254842171.108763874770.633735277324-0.221008163097-0.1852875899370.9463139576170.1458456723110.730263298346-64.3420433691.135126545756.5183589696
196.690270111352.84313682467-1.329169986414.251772019173.556036565825.843519165440.330547552058-0.8377682216490.4917858544420.427360177307-0.381244605669-1.59946115635-0.669902983907-0.370661584981-0.08159008518370.916897267484-0.172250725-0.1174211912270.9834138245430.2694586766430.793669343531-60.985817114588.401682003339.9912061304
206.863431978524.05547856708-2.804078101056.773271719450.4449294860285.935501255440.0223624116972-0.0569809622857-0.1006538511970.932021784916-0.996898462180.930579806970.37456991922-1.163702042230.05634274614420.898695294919-0.135546751319-0.01919294878320.654882181866-0.04102420302890.875379289168-76.155850917290.834618144961.5642585957
211.99178750726-0.7008933477160.7678830538394.98435134552-2.418222820481.30817318369-0.1549363335471.14917776676-0.216539188196-0.700274306122-1.15261046719-0.49046477033-0.07318201430510.878579588511.759232631080.801763162046-0.158132282774-0.2543484530731.272829350380.2412919292390.752573291224-72.488930976491.034292758342.6400628961
222.498594316381.356125057881.443301421644.95959335281-2.765813027385.138868452750.2809606328-0.1142721192820.571650807064-1.017061408220.1762457200310.8271528729740.3892544596270.0395767162567-0.368305651390.5163347502080.01785179160780.07792538460780.6127674746830.02684473296270.692639355146-71.996328493682.063005565654.6846914816
237.316452105521.13291912393-0.3561441796939.167836323142.251342998716.54287517387-1.481712989012.468033766021.11843692651.957792554231.64855781628-0.9736639030430.2833483380970.869266313449-0.7704431798741.54641921288-0.00176462958761-0.4813440933961.36881467930.2429623284321.25461097157-33.410059630693.557081673652.5920999246
242.578665397151.842557074181.050329583413.994907089952.734531798812.829818141890.001395680560030.673824958026-0.3270809005320.795962104473-0.399474493612-0.787826012749-0.5504769430341.32794671310.1767089298230.806340703541-0.143776898167-0.2889823160761.146426899810.09286041507970.65221630932-44.100885801191.98716991237.2939998056
253.126921064972.683446744571.354081233483.334224294541.870864466161.07119435281-0.286074042231-0.4900567502621.23548267605-0.378005150630.8503938521991.069173198941.07091438125-0.605481274052-1.045522652481.62540348181-0.194663580937-0.4801500201880.8817356434730.1629896986161.93023938974-60.717064236880.856808481617.1987042346
266.940844070450.681206841027-6.042855494272.256670101-2.311629768246.61240260074-1.24580586056-1.71255770070.470902868295-1.86718001353-0.386958933311.31731655649-0.4959845563020.926535035117-0.8175262394221.761374300130.372968022362-0.5453108075872.88009949939-0.8970127363621.5246728563-50.938294046386.373500389414.2235749597
271.39979089126-0.84794990556-2.13271316740.3539207138590.3977653342732.731639850760.1802774655341.15018421359-0.067632145538-0.00657895520071-0.3244967937910.325592649356-0.94238704297-0.01631885182660.2790625811880.81867458066-0.215035085998-0.1395603274621.290473240870.08465818875640.745371730249-50.43403894390.86657865655.2080749381
286.01251990496-4.099528140382.341412271943.0913534953-2.593819520464.444536399780.3154311640671.37805493172-0.5455965618710.158887405661-0.5033371691270.3546601758610.244010544165-0.802812405984-0.3941076870440.971127977687-0.1957800596510.3281449851640.997299089978-0.2285887234561.61538382344-66.228221630564.644133201655.4098036089
291.48831113648-0.252910891814-0.1030193321660.114700121897-1.224529477043.53083062193-0.1967587157040.364592773647-0.0422232970225-0.283852884046-0.1814663695-0.0449108433429-0.7633063916830.2559825648520.2867434154610.931664506976-0.130217162472-0.1949829508840.9085780965170.1834300431750.930563895525-49.341799980396.42403085559.4501519472
306.09553415011-5.31064540057-0.6827016774949.43242834207-2.906449356032.610489291570.6605045430350.312263377697-0.365171244105-1.20396912294-1.09335804040.374403361905-0.344021303432-1.238038917410.3462314301110.6474037957410.007011712818790.04876906469161.00552969111-0.01871545225150.696152808451-24.843823158980.841928893756.5017310347
312.223871942812.297806453312.475631827453.855249847674.085341442444.27829117412-0.2573212318280.6756511433090.732779352198-1.33431437599-0.2970411441380.313018382202-0.648365249634-0.3815064510210.08070583479820.818332069004-0.0522240703050.1973623064011.00443698121-0.05103108901170.500965994256-19.918422412491.24302441259.9851137225
323.81197059973.086149628570.705906987012.828772174720.5587613412080.215878284173-0.2111001868071.33605418428-0.20883969476-0.08141520286780.4146998200431.17454074453-0.752650766461-0.407733555010.1895147719380.5843403069180.0631517106550.1291813289150.421792209207-0.1878741694910.621284659876-21.461836978181.124460440666.0415889859
336.64788481965.260925937562.583662211024.237251758611.981680047841.035744807170.997966386899-0.656419186093-1.281422698220.0161427340613-0.645267019565-0.6255967205560.2149808204530.2844420499420.3307623973650.7197894361570.1464537773440.1172934681060.582009643871-0.3840812408110.613086109008-17.000944379880.588430327667.8638937369
345.62085482655-1.065555711410.3858956085947.66029605648-0.5512018585435.065930876090.1582974703451.14060032112-0.0376922816755-0.463769238323-0.125083995009-0.0689644905607-0.5897965328590.483362363507-0.1018203863050.681945846514-0.182737669774-0.02061224834380.895392122882-0.05509229733730.561145201627-14.320063605882.075962305859.3210043279
354.125076736721.816560483191.61757234318.140826843476.498175290945.17757777468-0.235627499078-0.977958359043-1.224177265150.835103313389-0.3733934688710.672888480590.5565705117680.04914277365640.4814105464370.727747910902-0.03584830297850.1469608606370.470162246859-0.01445564741920.91077818716-22.371808199375.147330891761.689186841
367.623754079385.104904891460.6866748618723.810517113510.7699027598130.4123700901870.728005069175-0.910742433896-1.267837746280.577785436733-0.82138011973-0.7307273758350.4187161580530.6355372317260.2233117264960.5367617562880.0065140278129-0.1281361323550.525248447464-0.03893631976210.740194812696-12.704387203889.405674395572.7330913037
374.236819975130.6988330527292.223262249653.97130891913.849847910914.19286398256-0.06325224288080.288289711438-0.117562164082-0.284424618864-0.456202301484-0.0402452738233-0.034325352395-0.7631842278661.010600266750.798278773104-0.1327162987840.04649052826950.9685533717690.0303466246340.617584047164-26.183265461781.279200314964.5969419997
383.542163115915.435214823462.668683328399.297522494132.057825482178.37366566273-0.3921450464710.1662938354661.11200484603-0.7410971253130.7052033627422.690570193490.556321144959-1.19342149507-0.05578685529950.856357775625-0.186352370667-0.04718696521360.9672189476130.4167151422721.35353889103-61.486548328988.661981200798.0123297265
397.146941721370.504577297658-1.078077120965.78970887428-1.41800405771.71693741022-0.828963817149-1.4165141993-0.1065392947250.8637139226410.3351028735490.7561697803640.146192683602-0.3232058926330.1654234732230.5706233913310.1247072923750.2314882779220.6110569608890.4026664312320.974153379301-53.140014987883.744463744799.5840051651
402.593837191251.11407229196-0.1772835914654.26919103604-1.913542462272.37942281897-0.254381490036-0.03504084553360.209934213178-0.1348381856430.479433077070.282423287584-0.2841771076520.0327426843977-0.1507136643710.582501065535-0.06180158457-0.02430923837270.6858606665840.113884042990.641619408091-52.191811690794.470221518486.6085501588
413.768346740730.754959935224-1.003706017922.040934950630.4939429139893.23894301703-0.3775784034220.146647897478-0.176462953327-0.437994214430.1912523268820.01894560291290.3763999720460.3328460643660.177106750360.590830784802-0.06205019914580.02018863758680.7980343049240.1444790620240.649418220155-35.430049274290.98259277274.0998109569
423.43524515932-0.596285321345-0.2150706340052.20881795787-1.683558283145.04272512233-0.524001696788-0.199878341557-0.4129927151380.2295209046620.3323684828790.3673344178790.401531440715-0.4037274193470.005300088120080.83163224186-0.0562407080061-0.019314070.7854419112410.2292890135070.903415895754-45.017287164479.689390921894.2628474638
436.70224481353-1.744550579020.5650220457292.21615354661.545163997644.07782695219-0.5901034818060.07517034209250.482717235383-0.0735088620988-0.0096286057542-0.5509188660541.142259270810.9056609516990.9455385805221.18585857060.3879892190790.1096681444471.14814368690.453445634081.30385962528-36.153363802962.5065947415107.144565784
441.88600006272-2.52318068631-0.969086617475.15588216344-2.221974542547.50730663251-1.20813865570.888649265840.4420304165021.482374478620.682476804298-1.18945038788-0.3169608279211.20275493774-0.05884550464682.05066198561-0.833196530047-0.4792665131461.430914725480.3206460229480.98628803419-15.3679456311116.559148973123.763894882
456.53696472757-1.973162146232.067878438644.560343032511.13308842771.82840868135-1.819718909230.7178824424770.99721786863-0.5024664463920.8576957812380.489623200733-2.076975964951.066698264490.3153839100131.62274704365-0.283366130388-0.2231613813511.187811801240.05287491932520.611925714992-15.589462665107.857084663123.662283313
463.21926610948-3.08526969751-2.218655649483.897294275581.384677585761.402348467460.158598128796-0.7031304260050.03454378078110.4886504139310.010346433803-0.5176237810150.3004195758590.198560265039-0.1909841841890.988828888745-0.112281265734-0.295266264570.9452782154380.1610358356960.6815318493642.06304358326109.856910789120.920889878
472.72245721147-0.58039368376-2.558189235365.96381404796-2.385938957323.61095036348-0.0500750070153-0.469888687277-0.408297762438-0.305286712635-0.01936264783160.01717425895240.6736607960570.00372892106828-0.06587052132250.7780512431040.0578997378423-0.2423615883611.04630805620.158012353410.7311005314866.3054550503998.0481840762114.275387279
482.300235055160.8771426744152.720143696033.351497108421.835686155744.84604725385-1.23027526343-0.839799300519-0.597553943879-0.468769653710.6459358410680.3768734535110.944091002920.416693598682-1.947693298991.5092317541-0.835513191688-0.5178553663952.903050824580.4347114230790.709075449895-1.2966601750490.951479581120.941436592
498.40691017579-0.032112792806-1.848657387714.769424615170.9050440886550.5724633498180.538321875170.6960025177320.210885566638-0.130768220909-0.1192599960820.472947168357-0.469411579074-0.397559037282-0.5768436319261.107645537830.0915600603284-0.009383447953171.694327313540.1823040968450.5953154867-15.980169061697.7974984004123.705299136
505.3213806889-1.748736402140.2314055149446.142608072150.1918704370294.692130226660.5129542616940.6323249161420.955991275552-0.197833213675-0.7380040428710.224348709338-0.7732413627980.2300779455860.201548061020.921900675689-0.1771418185940.1688583294811.133898412120.07412045797070.779181613129-24.719968142183.0313800053121.405729722
512.43332351168-2.30888895124-1.16469978335.287351079856.016727373257.71537263190.5057169466290.128555162799-0.915206004408-1.214357139270.859124902747-2.52410033513-0.8888722866160.978221650044-0.1832542159040.418041373723-0.1295437110870.0497162790541.02550083058-0.1474611316911.129665500534.46426522641107.97220702886.6534998379
527.928998394980.6849929383272.509816263740.1335730894-0.3973071686355.81169074051.24507891482-0.8307899281410.5493217285490.208002642440.7908085349491.60257565778-1.04474567793-2.30667696836-1.710680394630.850112690730.04773044332250.3985202745011.668255805040.2564537818841.911012196346.03801981534128.677595826104.240419094
537.9423130364-0.4579384963762.421891213844.737162247924.232405928854.802570542380.153203506562-0.9477175228191.908514365190.3071232061590.09314800907480.4691256016571.18466731336-1.141976001740.1750373346591.86300607773-0.491408361589-0.2225627666541.125644175680.1767213674041.230109369999.23994467465132.154378333100.920847247
543.801435103362.008248738530.3995046746793.34374100560.1028616532614.07959040576-0.04751716749930.7351643662060.328684148032-0.6909582540920.415652120074-0.187324214133-0.0379617480784-0.142298118443-0.6094476757220.913727871173-0.211792465528-0.1514545602620.7831686985310.2580758894631.0050808819710.5723459617124.61608919887.5475880874
554.61893599961-2.45155967735-0.8015046219345.50416679749-4.03432997167.70082248090.33619311878-1.26234065168-0.9340203597910.5274474503740.147704923677-0.859980715859-1.058133066840.4362674994481.090266936761.982991820020.255506835654-0.7962045411911.032788594370.06939753796761.3715532232927.7205278557105.2813903595.4293953224
561.851792856171.11265948177-1.399868103844.935767856221.657057398622.43437000510.278179093106-0.1915646762112.059318467770.1933724402510.6739012629260.0377434569246-0.325024770033-0.1329738194650.6906183272050.791865248858-0.257450457802-0.1395366935110.7551757878540.5488047333712.3723048519416.4596099954134.76007468888.4967580458
572.58770460903-0.3154523947830.6582453052841.7287550388-0.9531880412922.414606313130.2012212584390.03149488366190.317197401110.243282911917-0.636161422684-0.986282983251-1.085112149750.729172679065-0.1051576177390.7033168169040.01311481976520.1063567501910.74694791738-0.01954802449450.39830499971415.8764060425124.49489584696.872002463
588.79014335636-1.4178310349-5.434452149043.39497009275-2.504013426947.32750855682-1.120471300680.7680643768390.5844831632910.326283621283-0.02893583249650.6428254072061.5373069361-0.9290139157240.7618474884271.49233557658-0.508356885186-0.1803676786941.00325168280.139229357631.31102396964-21.2477551234124.91514138386.4540258146
592.640905542130.4865705702312.280201989255.07102453272.144421425885.454230004630.190939372276-0.4773786727970.7631927320790.09458524175920.2378397139171.375081016790.822052773867-1.19471745911-0.2818700008330.76554143541-0.2992755381420.02064011643620.784384991276-0.1214932360841.01287208354-11.7675992313141.10113678387.7478048428
601.142524939312.111026547870.1878823481184.171957841691.461958085333.99759029172-0.477774447449-0.2952896007781.634507847221.06047870121-0.3521180808721.95324495532-3.983137245180.7545784138870.5978067179481.99401919475-0.3129587867380.02775800730091.4033343249-0.2205514232851.28916761063-0.441772845545163.16391757696.7738823795
612.66436830262-0.0945208337145-1.54150173211.41011954723-0.3884051300790.09413722352120.0109257831964-0.2319630071830.7479468429540.118818886566-0.296070108337-0.147260855129-0.3358241907660.3964713660390.2982556053340.721319523879-0.221257369656-0.1846737235160.7562535897390.01442109240810.846764570087-1.66161980861120.20078570693.1575795166
621.42957005707-3.29836818796-0.2985773705087.201725974750.2970251144042.137452337670.3964514372671.558516546881.51233389488-1.26049391101-0.485232678044-0.672866463266-0.7970768061760.2782274707480.2445595438841.14289276315-0.208214489525-0.1594263112081.2723727630.6319198378621.38755853488-12.2087761242110.74333830874.8522682044
636.17424117688-0.1815273837160.01640946512710.183137287042-0.600764975983.677043977710.00234334135096-0.5625895493571.44357568465-0.637484926358-0.4270012972050.3314654532870.988094646207-0.4123993731390.0613157271371.14536457057-0.300529849078-0.2796342129670.564177741080.1695972090960.823789365282-14.7818620629142.67930199372.7442676764
644.657585537680.2048144437960.03748029780184.0038991610.9645878218462.745205917930.441041312309-0.6318677483090.534581712967-0.3446654046830.84257420026-0.540641231678-0.4093898157781.77995512206-0.3910164257350.6219552088750.0615060708257-0.08914376861010.583878303209-0.03986122309881.0526797703-31.0936873738122.57473382199.8218245941
654.053388312831.147736444071.118894613531.463707931911.527160543122.49238490189-0.509909827090.3300520164711.62906914408-0.5200601434610.408498324522-0.00718826470678-1.296848294451.0466232855-0.01724107518560.871797002093-0.0296091653032-0.02905418014770.524083793968-0.07280327409390.99218424464-35.5737975682116.0494032191.1224580706
664.763057389251.491405031752.121540879773.957377973993.138945588383.86485571666-0.315223374202-0.007228519722850.461374102296-0.230163011760.2453058263890.205490521725-0.3277845226530.3165748728640.008070726944050.659398346654-0.0103727474225-0.04083620322490.586064442127-0.03902788360470.826588121789-38.6969588238115.10520475999.175395152
674.437665521950.8432994442760.1263343566965.174458252081.917757636721.48654873627-0.18846372746-0.00558443427793-0.007350148017210.164110321680.602401828281-0.4280574600420.441937085538-0.41507345953-0.04171037110140.689207240604-0.02265964111-0.08226105241790.7014300882960.1137634947710.744752734795-35.2861301533110.13631618794.3140350142
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 1 through 45 )AA1 - 451 - 45
22chain 'A' and (resid 46 through 160 )AA46 - 16046 - 160
33chain 'A' and (resid 161 through 245 )AA161 - 245161 - 245
44chain 'A' and (resid 246 through 280 )AA246 - 280246 - 280
55chain 'B' and (resid 2 through 21 )BB2 - 211 - 20
66chain 'B' and (resid 22 through 39 )BB22 - 3921 - 38
77chain 'B' and (resid 40 through 62 )BB40 - 6239 - 61
88chain 'B' and (resid 63 through 78 )BB63 - 7862 - 77
99chain 'B' and (resid 79 through 102 )BB79 - 10278 - 101
1010chain 'B' and (resid 103 through 132 )BB103 - 132102 - 131
1111chain 'B' and (resid 133 through 177 )BB133 - 177132 - 176
1212chain 'B' and (resid 178 through 194 )BB178 - 194177 - 193
1313chain 'B' and (resid 195 through 247 )BB195 - 247194 - 246
1414chain 'B' and (resid 248 through 283 )BB248 - 283247 - 282
1515chain 'C' and (resid 1 through 28 )CC1 - 281 - 28
1616chain 'C' and (resid 29 through 38 )CC29 - 3829 - 38
1717chain 'C' and (resid 39 through 46 )CC39 - 4639 - 46
1818chain 'C' and (resid 47 through 80 )CC47 - 8047 - 80
1919chain 'C' and (resid 81 through 93 )CC81 - 9381 - 93
2020chain 'C' and (resid 94 through 124 )CC94 - 12494 - 124
2121chain 'C' and (resid 125 through 165 )CC125 - 165125 - 165
2222chain 'C' and (resid 166 through 207 )CC166 - 207166 - 207
2323chain 'D' and (resid 8 through 20 )DG8 - 203 - 15
2424chain 'D' and (resid 21 through 84 )DG21 - 8416 - 80
2525chain 'D' and (resid 85 through 94 )DG85 - 9481 - 90
2626chain 'D' and (resid 95 through 107 )DG95 - 10791 - 103
2727chain 'D' and (resid 108 through 183 )DG108 - 183104 - 179
2828chain 'D' and (resid 184 through 197 )DG184 - 197180 - 193
2929chain 'D' and (resid 198 through 264 )DG198 - 264194 - 260
3030chain 'E' and (resid 1 through 17 )EI1 - 171 - 17
3131chain 'E' and (resid 18 through 32 )EI18 - 3218 - 32
3232chain 'E' and (resid 33 through 39 )EI33 - 3933 - 39
3333chain 'E' and (resid 40 through 60 )EI40 - 6040 - 60
3434chain 'E' and (resid 61 through 83 )EI61 - 8361 - 83
3535chain 'E' and (resid 84 through 99 )EI84 - 9984 - 99
3636chain 'E' and (resid 100 through 109 )EI100 - 109100 - 109
3737chain 'E' and (resid 110 through 126 )EI110 - 126110 - 126
3838chain 'F' and (resid 2 through 21 )FJ2 - 211 - 20
3939chain 'F' and (resid 22 through 45 )FJ22 - 4521 - 44
4040chain 'F' and (resid 46 through 116 )FJ46 - 11645 - 115
4141chain 'F' and (resid 117 through 147 )FJ117 - 147116 - 146
4242chain 'F' and (resid 148 through 245 )FJ148 - 245147 - 244
4343chain 'F' and (resid 246 through 280 )FJ246 - 280245 - 279
4444chain 'G' and (resid 1 through 16 )GK1 - 161 - 16
4545chain 'G' and (resid 17 through 39 )GK17 - 3917 - 39
4646chain 'G' and (resid 40 through 131 )GK40 - 13140 - 131
4747chain 'G' and (resid 132 through 177 )GK132 - 177132 - 177
4848chain 'G' and (resid 178 through 193 )GK178 - 193178 - 193
4949chain 'G' and (resid 194 through 234 )GK194 - 234194 - 234
5050chain 'G' and (resid 235 through 282 )GK235 - 282235 - 282
5151chain 'H' and (resid 1 through 28 )HL1 - 281 - 28
5252chain 'H' and (resid 29 through 38 )HL29 - 3829 - 38
5353chain 'H' and (resid 39 through 46 )HL39 - 4639 - 46
5454chain 'H' and (resid 47 through 117 )HL47 - 11747 - 117
5555chain 'H' and (resid 118 through 124 )HL118 - 124118 - 124
5656chain 'H' and (resid 125 through 163 )HL125 - 163125 - 163
5757chain 'H' and (resid 164 through 207 )HL164 - 207164 - 207
5858chain 'I' and (resid 6 through 20 )IQ6 - 201 - 15
5959chain 'I' and (resid 21 through 84 )IQ21 - 8416 - 79
6060chain 'I' and (resid 85 through 104 )IQ85 - 10480 - 99
6161chain 'I' and (resid 105 through 224 )IQ105 - 224100 - 219
6262chain 'I' and (resid 225 through 244 )IQ225 - 244220 - 239
6363chain 'I' and (resid 245 through 264 )IQ245 - 264240 - 259
6464chain 'J' and (resid 2 through 17 )JS2 - 171 - 16
6565chain 'J' and (resid 18 through 39 )JS18 - 3917 - 38
6666chain 'J' and (resid 40 through 99 )JS40 - 9939 - 98
6767chain 'J' and (resid 100 through 126 )JS100 - 12699 - 125

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