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- PDB-8cy5: CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA... -

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Basic information

Entry
Database: PDB / ID: 8cy5
TitleCamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 39
Components
  • (DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)- ...) x 2
  • Site-specific DNA-methyltransferase (adenine-specific)DNA methyltransferase
KeywordsDNA BINDING PROTEIN/DNA / DNA Adenine Methylation / PROTEIN-DNA COMPLEX / TRANSFERASE / DNA BINDING PROTEIN / DNA BINDING PROTEIN-DNA complex
Function / homology
Function and homology information


N-methyltransferase activity / site-specific DNA-methyltransferase (adenine-specific) / site-specific DNA-methyltransferase (adenine-specific) activity / hydrolase activity / DNA binding
Similarity search - Function
TaqI-like C-terminal specificity domain / TaqI-like C-terminal specificity domain / N-6 DNA Methylase / DNA methylase, adenine-specific / N-6 Adenine-specific DNA methylases signature. / DNA methylase, N-6 adenine-specific, conserved site / S-adenosyl-L-methionine-dependent methyltransferase superfamily
Similarity search - Domain/homology
: / Chem-T8Q / DNA / DNA (> 10) / site-specific DNA-methyltransferase (adenine-specific)
Similarity search - Component
Biological speciesClostridioides difficile (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 2.5 Å
AuthorsZhou, J. / Horton, J.R. / Cheng, X.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM049245-23 United States
CitationJournal: J.Med.Chem. / Year: 2023
Title: Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
Authors: Zhou, J. / Horton, J.R. / Menna, M. / Fiorentino, F. / Ren, R. / Yu, D. / Hajian, T. / Vedadi, M. / Mazzoccanti, G. / Ciogli, A. / Weinhold, E. / Huben, M. / Blumenthal, R.M. / Zhang, X. / ...Authors: Zhou, J. / Horton, J.R. / Menna, M. / Fiorentino, F. / Ren, R. / Yu, D. / Hajian, T. / Vedadi, M. / Mazzoccanti, G. / Ciogli, A. / Weinhold, E. / Huben, M. / Blumenthal, R.M. / Zhang, X. / Mai, A. / Rotili, D. / Cheng, X.
History
DepositionMay 22, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 11, 2023Provider: repository / Type: Initial release
Revision 1.1Jan 18, 2023Group: Structure summary / Category: struct / Item: _struct.title
Revision 1.2Jan 25, 2023Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.year / _citation_author.identifier_ORCID
Revision 1.3Oct 25, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Site-specific DNA-methyltransferase (adenine-specific)
B: Site-specific DNA-methyltransferase (adenine-specific)
C: Site-specific DNA-methyltransferase (adenine-specific)
D: DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3')
E: DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3')
F: DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3')
G: DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3')
H: DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3')
I: DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)234,39924
Polymers232,3379
Non-polymers2,06215
Water10,467581
1
A: Site-specific DNA-methyltransferase (adenine-specific)
D: DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3')
E: DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)78,1418
Polymers77,4463
Non-polymers6955
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
2
B: Site-specific DNA-methyltransferase (adenine-specific)
F: DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3')
G: DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)78,24210
Polymers77,4463
Non-polymers7967
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
3
C: Site-specific DNA-methyltransferase (adenine-specific)
H: DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3')
I: DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)78,0176
Polymers77,4463
Non-polymers5713
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)81.550, 161.231, 230.294
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2

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Components

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Protein , 1 types, 3 molecules ABC

#1: Protein Site-specific DNA-methyltransferase (adenine-specific) / DNA methyltransferase


Mass: 68887.172 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Clostridioides difficile (bacteria)
Gene: BN1095_20232, BN1096_690041, BN1097_700039, E5F26_07025, E5F27_14470, E5F28_16275, E5F29_09620, E5F30_09400, E5F31_14185, E5F32_03810, E5F33_08870, E5F36_00990, E5F37_03060, E5F38_04245, E5F39_ ...Gene: BN1095_20232, BN1096_690041, BN1097_700039, E5F26_07025, E5F27_14470, E5F28_16275, E5F29_09620, E5F30_09400, E5F31_14185, E5F32_03810, E5F33_08870, E5F36_00990, E5F37_03060, E5F38_04245, E5F39_00835, E5F40_02785, E5F41_17405, E5F42_11180, E5F43_12285, E5F44_14865, E5F45_19095
Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: A0A031WG99, site-specific DNA-methyltransferase (adenine-specific)

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DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)- ... , 2 types, 6 molecules DFHEGI

#2: DNA chain DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3')


Mass: 4232.795 Da / Num. of mol.: 3 / Source method: obtained synthetically
Details: (DT)(DT)(DC)(DA)(DA)(DA)(DA)(DA)(DG)(DT)(DC)(DC)(DC)(DA)
Source: (synth.) Clostridioides difficile (bacteria)
#3: DNA chain DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3')


Mass: 4325.825 Da / Num. of mol.: 3 / Source method: obtained synthetically / Source: (synth.) Clostridioides difficile (bacteria)

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Non-polymers , 4 types, 596 molecules

#4: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C2H6O2
#5: Chemical
ChemComp-K / POTASSIUM ION


Mass: 39.098 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: K
#6: Chemical ChemComp-T8Q / N-{3-[1-(tert-butoxycarbonyl)piperidin-4-yl]propyl}adenosine


Mass: 492.569 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C23H36N6O6 / Feature type: SUBJECT OF INVESTIGATION
#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 581 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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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: 3.26 Å3/Da / Density % sol: 62.32 %
Crystal growTemperature: 292 K / Method: vapor diffusion, sitting drop
Details: 21-24% PEG 3350, 0.1 M Tris-HCl pH 7-7.5, 0.28M Potassium Citrate
PH range: 7.0-7.5

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Mar 26, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.5→47.03 Å / Num. obs: 105385 / % possible obs: 99.3 % / Redundancy: 12.6 % / Biso Wilson estimate: 51.66 Å2 / CC1/2: 0.99 / Rmerge(I) obs: 0.244 / Rpim(I) all: 0.057 / Net I/σ(I): 12.7
Reflection shellResolution: 2.5→2.58 Å / Num. unique obs: 9778 / CC1/2: 0.431 / Rpim(I) all: 0.642 / Χ2: 1

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
HKL-2000data reduction
HKL-2000data scaling
PHENIXphasing
RefinementMethod to determine structure: FOURIER SYNTHESIS
Starting model: 7LNJ

7lnj


Resolution: 2.5→47.03 Å / SU ML: 0.3089 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 23.2264
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2091 1995 1.9 %
Rwork0.1724 103042 -
obs0.1731 105037 98.93 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 65.41 Å2
Refinement stepCycle: LAST / Resolution: 2.5→47.03 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13389 1704 132 581 15806
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002315710
X-RAY DIFFRACTIONf_angle_d0.498421535
X-RAY DIFFRACTIONf_chiral_restr0.04072364
X-RAY DIFFRACTIONf_plane_restr0.00282439
X-RAY DIFFRACTIONf_dihedral_angle_d16.41886011
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.5-2.560.30321230.31436508X-RAY DIFFRACTION88.28
2.56-2.630.3321420.28147272X-RAY DIFFRACTION98.8
2.63-2.710.29621420.25617293X-RAY DIFFRACTION99.6
2.71-2.790.28461410.23887326X-RAY DIFFRACTION99.61
2.79-2.890.27711430.22847354X-RAY DIFFRACTION99.5
2.89-3.010.26511430.21767356X-RAY DIFFRACTION99.76
3.01-3.150.24211430.19817371X-RAY DIFFRACTION99.91
3.15-3.310.23971430.18137371X-RAY DIFFRACTION99.93
3.31-3.520.2041440.16367422X-RAY DIFFRACTION99.87
3.52-3.790.20241430.15877408X-RAY DIFFRACTION99.93
3.79-4.170.18351440.13927464X-RAY DIFFRACTION99.92
4.17-4.770.16441460.12957520X-RAY DIFFRACTION99.96
4.77-6.010.16451460.15247545X-RAY DIFFRACTION99.96
6.01-47.030.19381520.16297832X-RAY DIFFRACTION99.8
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)
11.442489783490.164614702615-0.09327628784724.001556650083.527394570558.297356338780.0230606909278-0.0591375781567-0.04576262777690.457519066266-0.1113489996470.107661117584-0.231386235424-0.2799318466050.1325326592090.5106933076890.07242072358940.0518737020310.352990972181-0.03321527137280.420527537634-32.20956922041.2302568364835.6752418143
20.612534216432-0.68389934742-0.6116958684882.520212370881.089157928934.902170619850.126264635501-0.02551814775130.152405979322-0.0805478577084-0.06193514352280.16125815174-1.14348026141-0.540739585691-0.03362857022250.8373923792290.1799151232870.02102218286230.440058343378-0.03863953440930.510478827179-34.738718507211.277960419829.1670102478
31.50714929197-0.189882795707-0.2950578520023.480226364160.9914038509443.761601776710.06886003574590.09199155736540.127710705402-0.1510921253710.01999246902-0.167771094588-0.3466773412280.123954771286-0.07458323928790.400979840973-0.005652852074730.08596514244990.333465685769-0.0454851084120.319333957639-21.636907133-6.5256245616316.2610054476
42.15988286266-1.94734329322-0.5737804335873.876064044591.067390283882.05763991071-0.159090573662-0.280910504441-0.05896483295850.4542041706270.162694554729-0.05092306393240.2110088274130.209263686992-0.007010329012570.560549600208-0.00122943342107-0.002158922268560.436960867686-0.0210303625520.328659856487-18.4800601546-19.986863684328.1683289412
52.50659464003-0.9073896795971.07218792783.34604594335-1.171212507853.624487526510.07910129131420.638787148136-0.0504798591399-0.729043254227-0.000342580611570.2795314349140.0757936587004-0.0814045708879-0.07183397731930.405722892527-0.03185348159860.03786872432590.524686849927-0.0421941371710.276798463461-24.8007552252-27.1102843328-13.3043567638
61.90847286874-0.4486467315230.7187170269982.78050545196-1.512315532433.47776573625-0.04930421033120.154610271835-0.0150906378612-0.203127385756-0.0334058212684-0.1894291733510.03218954861330.2473045867740.08884618245420.287110810259-0.04933619228970.08088833714380.354180494839-0.04271910209740.281528073342-14.5574405766-30.90436765191.36883305693
72.8927185118-0.2518347054811.323344897744.76865471644-1.217929975869.051203168190.0720038055586-0.109975603563-0.540095121699-0.2562267750940.0481869899253-0.1942395565941.015482513830.173976755373-0.1823440931710.4573130964650.05658048804430.08595425685710.3155601044890.01006862334280.419724363819-14.1388459807-48.706634454310.1861009204
84.14023974018-1.980361018413.651964801662.58019441508-3.168071000595.979731108620.2835895979260.303388810322-0.0471902829973-0.0915108914672-0.295606676582-0.0856380675088-0.02533088733090.3508100121780.03546551633550.5735041336670.1091160806520.09052125290840.4224783799130.08331832550790.422253914334-12.607738007110.0453732271-58.5489370209
92.892384857930.02744671799242.916222227450.1689421058120.6354158866888.10975944023-0.3489634119160.02841063515170.488588210452-0.07616620810110.0187656988766-0.0130260061977-1.28222263543-0.2796842952820.4006659572950.7864118483280.151450343209-0.0007475959872490.3637744878860.05927464863610.536630751225-16.885389598620.3706883956-55.5574325401
104.91414890791-0.38773785621.552783299142.647245445390.7170569372673.34707223598-0.1574576805580.4939230276460.7456549821740.1722301725660.2370788470390.0763340205252-1.05621513686-0.592979811809-0.1118068086470.7071229267240.2115905714970.1005078515070.5564345679880.1453608168310.519777424641-19.932078148517.7030631-47.8460997866
111.07381660635-0.06068776975470.9809563865561.89721065765-0.5670646417742.707211493990.145335658305-0.169711971164-0.05601660356550.05904762378910.009345751629510.189236915601-0.00865494036569-0.308838349706-0.1548962501120.4812908865310.08464849621130.06057518581770.4612590484740.1220379692840.408356112688-10.8618396163-1.6359368092-38.3851086997
125.06506225348-2.639617296621.564252025582.760064754740.0652693708514.49678507986-0.06516790017140.3604996277910.214763440242-0.473617179997-0.0819754254409-0.1674388302640.1466076509570.4552875492990.1547446184160.5632900276590.1377678552090.05120911086530.4589576899230.1167080523510.367031707533-3.61849975243-6.51925608553-52.3058842316
131.91288636937-1.198791710322.057803010374.92595332504-1.923595517421.799722153620.5296336059450.115341413495-0.419752628401-0.641870052813-0.215256875353-0.05619982496610.6314504888650.142167014632-0.339166190680.7608630947790.178643735196-0.08540936981090.46031531603-0.03155313055560.385145786137-3.51618214476-18.6227939578-48.4601392024
142.553509089250.02296574593290.5746537316076.144084284622.417158051365.571076543510.101837014223-0.2315456898170.2038305817950.3388870014760.222412164869-0.336103093802-0.05688895576350.358143638057-0.3548509092260.310965421667-0.000111631984723-0.03510408764880.3036189196750.09590238935650.2939545020612.4665959215-12.9992160723-13.9856436961
159.322001219650.5350985472263.579491907636.305695969792.119310759544.8407508141-0.256154437245-0.9685197039411.284537299940.9490101701090.394471543534-0.554261543949-0.643884230845-0.0112978639559-0.169230387750.8423770391920.01433671189580.09086993265170.543271874782-0.1615467561870.5052985544267.090170460661.72400043482-2.19060939077
161.8339958863-1.024928680760.1983438837462.799057307870.4278379237313.429088787970.159060297340.00140111744809-0.112854592088-0.02371089184490.0115134874513-0.006832949614680.195552615113-0.0415217659429-0.1676095118110.310724546604-0.0246661325605-0.017392436130.3337048379790.07736696694310.3587910446115.85566962458-20.3466638646-23.0468275599
176.6490732596-0.1991366317784.023065886742.678120035410.05903935191565.525016130780.2384862854410.636239710325-0.20213192713-0.444504268248-0.229077212547-0.01216586390810.7601583071990.583370256234-0.05240561548760.7041754226710.1858581247730.02665918123360.366199435036-0.007898859054590.40999333094218.6278053645-32.9879038282-31.9248356481
182.225000164230.163157816161-1.524899475761.870256282652.891682954059.72354146742-0.052482470445-0.8353934422170.3246427746091.31743577998-0.0812265712520.1738363007150.0675783708128-0.0878909673290.1724891665291.452338737530.1268795792050.07442095213620.732021300849-0.1049192490740.72353518235820.76404951455.0055744944-8.78325039621
191.2513625557-0.143905056018-0.06673987110312.142573149781.393659496152.2716046235-0.203678937562-0.487376903013-0.1625108702091.02749757284-0.02367312750950.2577493708290.5166716587-0.06123409710710.2355611552321.095201924780.09174859103420.2005915198220.556974140780.05191859251460.70956350730321.719888490139.6799812705-18.8508521126
200.755771738374-0.6775387991111.668598506866.056976252770.4201656446315.196068942250.00127890572777-0.3079058731940.4632937781880.292404348527-0.1258542024790.505339215638-0.369416507503-0.5047858445130.1119940814590.7449832372380.1094615537590.156756382340.461385267214-0.08195955520280.86494784850615.987337288952.7759182418-28.9118357099
211.252145004450.5017863307751.428198964010.2566443852080.9399923041534.32709552134-0.177038374575-0.09416442467630.164722224351-0.03263485057950.1224761267780.671499513041-0.541119212475-0.5199485129230.08618714709550.7154690794130.1658498790770.1462642218790.593836052787-0.05375781230990.9282221141147.802992854949.4581705372-38.2733630182
224.77688917573-3.506419047110.6598158088662.75906344981-0.2519782130491.629779611570.1540178836140.46015472072-0.013481368261-0.334971675742-0.2708582897510.1211046156760.0941566487170.1855118687740.1159503572990.6741017529010.04555639896820.1215806252240.4053089729120.03753602955820.62261246477331.75473314125.7544297236-56.5146852887
239.64138765479-1.29170760799-1.525892552812.87841633831-1.750822834087.23041926316-0.02701698017580.12797125838-0.9783869002610.11965338877-0.1432616598910.1909501863061.13257387380.8553345088170.268443329810.7123123077050.1822019874550.07157546350950.4135214734880.0880330567070.748657416843.192451960813.3068897279-46.838766549
242.11013207127-0.6459432668910.6009669117131.48597244906-0.6597898995832.111997766410.05312519178370.0602329619961-0.152289556204-0.408019311528-0.09193765428850.3705594332530.0868018399476-0.1002884012920.02809147009510.554908859195-0.004628231128720.06879601080180.3435036685870.01752368907570.68027653201119.388948421930.740568516-53.8623651926
257.96362992726-4.60902045766-1.40638351516.417896485850.6887203181853.227785595890.3683705078610.6074749890390.356678612918-0.832129617687-0.2523757422070.275969645656-0.590064449359-0.162287714106-0.1446069349831.0315310080.109057061186-0.1629825603310.5179347983490.05377343909450.66984968941813.701183348244.0828046992-67.8260182484
260.000157171554846-0.2014050561520.4774342188983.94598083038-0.6607985667173.31047740571-0.1847603128950.119259169582-0.2731550182970.0451818143015-0.04925379474980.8128191328910.270875164282-1.015772366340.192492557910.378955115236-0.109845947310.02423928577010.58530702567-0.06882618127610.497304731116-28.6602537105-19.21776889092.24134283491
270.791092814433-0.6912025684091.697922196993.31852963385-0.1640555841864.043259964330.0761409371002-0.8472552214240.3696466068480.335643474381-0.1229294471311.428956136380.110333999248-0.950904703288-0.1503122010660.423995267037-0.0001541213497380.2223969165010.686196294497-0.05049245731010.64394747325-32.5722062316-20.3421638864.37457388569
282.36003779915-0.429951382497-2.810147150172.21201026105-0.8553196161293.446326110290.410034620269-0.426231038320.40919783627-0.124926211415-0.196188988103-0.27203442617-0.6845962110640.892893301762-0.2176646479440.444183416709-0.1211383062460.07355147593530.5163833378020.06575336794480.4013003542395.3210904741-2.57642216411-25.4795017061
290.525780659836-0.8977168395021.175953187031.66070263374-1.253649652772.683975716750.04024097165770.008181692864030.44079981569-0.219690619819-0.070354151935-0.48336758685-0.3550424120210.3078585896950.06154603106060.583038360257-0.03394299441510.1669520701950.2664667002470.04370569497370.5337657641088.32355097563-0.0669527862322-28.4125295621
301.9580975614-1.444249044861.319464028912.028170533351.576922839554.91551837442-0.1363647051640.1519206191150.2715365599840.00982690725553-0.196301706647-0.990424425625-0.4462375822060.6096952271210.2406580107320.633656265531-0.05519339808530.2228031219980.5191831445410.1986943894551.0528607197631.756216975132.8796254231-41.5495029514
312.53729888215-2.84592298899-0.9762782278924.447401630580.5912756951347.60598205258-0.251076317188-0.6841983639680.830306937416-0.162784801656-0.214931023873-0.668200713947-0.5992199635381.064335284530.2752275007320.48732440797-0.111288296026-0.05060939407730.5804944079980.06423744057610.95529477865834.873585496836.7476341342-41.2220534912
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 28 through 90 )AA28 - 901 - 63
22chain 'A' and (resid 91 through 160 )AA91 - 16064 - 129
33chain 'A' and (resid 161 through 259 )AA161 - 259130 - 228
44chain 'A' and (resid 260 through 333 )AA260 - 333229 - 302
55chain 'A' and (resid 334 through 428 )AA334 - 428303 - 397
66chain 'A' and (resid 429 through 535 )AA429 - 535398 - 504
77chain 'A' and (resid 536 through 577 )AA536 - 577505 - 546
88chain 'B' and (resid 28 through 90 )BB28 - 901 - 63
99chain 'B' and (resid 91 through 130 )BB91 - 13064 - 103
1010chain 'B' and (resid 131 through 160 )BB131 - 160104 - 133
1111chain 'B' and (resid 161 through 259 )BB161 - 259134 - 232
1212chain 'B' and (resid 260 through 292 )BB260 - 292233 - 265
1313chain 'B' and (resid 293 through 333 )BB293 - 333266 - 306
1414chain 'B' and (resid 334 through 399 )BB334 - 399307 - 372
1515chain 'B' and (resid 400 through 428 )BB400 - 428373 - 401
1616chain 'B' and (resid 429 through 535 )BB429 - 535402 - 508
1717chain 'B' and (resid 536 through 577 )BB536 - 577509 - 550
1818chain 'C' and (resid 29 through 97 )CC29 - 971 - 69
1919chain 'C' and (resid 98 through 259 )CC98 - 25970 - 221
2020chain 'C' and (resid 260 through 292 )CC260 - 292222 - 254
2121chain 'C' and (resid 293 through 333 )CC293 - 333255 - 295
2222chain 'C' and (resid 334 through 399 )CC334 - 399296 - 361
2323chain 'C' and (resid 400 through 428 )CC400 - 428362 - 390
2424chain 'C' and (resid 429 through 535 )CC429 - 535391 - 497
2525chain 'C' and (resid 536 through 577 )CC536 - 577498 - 539
2626chain 'D' and (resid 1 through 14 )DD1 - 14
2727chain 'E' and (resid 1 through 14 )EE1 - 14
2828chain 'F' and (resid 1 through 14 )FF1 - 14
2929chain 'G' and (resid 1 through 14 )GG1 - 14
3030chain 'H' and (resid 1 through 14 )HH1 - 14
3131chain 'I' and (resid 1 through 14 )II1 - 14

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