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- PDB-8cy0: CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA... -

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Basic information

Entry
Database: PDB / ID: 8cy0
TitleCamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor MC4756 (Compound 178)
Components
  • (DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*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
: / N-(4-phenylbutyl)adenosine / DNA / DNA (> 10) / site-specific DNA-methyltransferase (adenine-specific)
Similarity search - Component
Biological speciesClostridioides difficile (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 2.65 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 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

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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)
E: DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3')
D: DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3')
F: DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3')
G: DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3')
H: DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3')
I: DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)233,95428
Polymers231,9239
Non-polymers2,03119
Water8,197455
1
A: Site-specific DNA-methyltransferase (adenine-specific)
E: DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3')
D: DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)77,9719
Polymers77,3083
Non-polymers6646
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area6470 Å2
ΔGint-25 kcal/mol
Surface area26840 Å2
MethodPISA
2
B: Site-specific DNA-methyltransferase (adenine-specific)
F: DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3')
G: DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)78,19713
Polymers77,3083
Non-polymers88910
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7570 Å2
ΔGint-17 kcal/mol
Surface area27150 Å2
MethodPISA
3
C: Site-specific DNA-methyltransferase (adenine-specific)
H: DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3')
I: DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)77,7856
Polymers77,3083
Non-polymers4783
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area6350 Å2
ΔGint-29 kcal/mol
Surface area25720 Å2
MethodPISA
Unit cell
Length a, b, c (Å)81.373, 160.860, 230.381
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: 68749.023 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(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)- ... , 2 types, 6 molecules EGIDFH

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


Mass: 4325.825 Da / Num. of mol.: 3 / Source method: obtained synthetically / Source: (synth.) Clostridioides difficile (bacteria)
#3: DNA chain DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3')


Mass: 4232.795 Da / Num. of mol.: 3 / Source method: obtained synthetically / Source: (synth.) Clostridioides difficile (bacteria)

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Non-polymers , 4 types, 474 molecules

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


Mass: 62.068 Da / Num. of mol.: 9 / 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-Q9W / N-(4-phenylbutyl)adenosine


Mass: 399.444 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C20H25N5O4 / Feature type: SUBJECT OF INVESTIGATION
#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 455 / 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: 3.25 Å3/Da / Density % sol: 62.16 %
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: Nov 3, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.65→47.01 Å / Num. obs: 88696 / % possible obs: 99.8 % / Redundancy: 6.6 % / Biso Wilson estimate: 48.91 Å2 / Rpim(I) all: 0.116 / Net I/σ(I): 8.1
Reflection shellResolution: 2.65→2.74 Å / Num. unique obs: 8731 / CC1/2: 0.363

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Processing

Software
NameVersionClassification
PHENIX1.19.2_4158refinement
HKL-2000data reduction
HKL-2000data scaling
PHENIXphasing
RefinementMethod to determine structure: FOURIER SYNTHESIS / Resolution: 2.65→47.01 Å / SU ML: 0.3837 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 23.9401
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2214 2000 2.26 %
Rwork0.1774 86571 -
obs0.1784 88571 99.54 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 58.31 Å2
Refinement stepCycle: LAST / Resolution: 2.65→47.01 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13363 1704 130 455 15652
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002915671
X-RAY DIFFRACTIONf_angle_d0.553121472
X-RAY DIFFRACTIONf_chiral_restr0.04272354
X-RAY DIFFRACTIONf_plane_restr0.00352453
X-RAY DIFFRACTIONf_dihedral_angle_d17.10545979
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.65-2.710.41171380.34595950X-RAY DIFFRACTION96.45
2.71-2.790.32211410.29286069X-RAY DIFFRACTION99.25
2.79-2.870.29621400.2656125X-RAY DIFFRACTION99.82
2.87-2.960.35961410.24896084X-RAY DIFFRACTION99.47
2.96-3.070.2811420.23686136X-RAY DIFFRACTION99.95
3.07-3.190.2821420.22086156X-RAY DIFFRACTION100
3.19-3.330.24881420.19836167X-RAY DIFFRACTION99.98
3.33-3.510.22611430.16226183X-RAY DIFFRACTION99.95
3.51-3.730.2121430.1536193X-RAY DIFFRACTION99.97
3.73-4.020.17691440.14536221X-RAY DIFFRACTION99.97
4.02-4.420.18841430.13076184X-RAY DIFFRACTION99.68
4.42-5.060.14631440.12526268X-RAY DIFFRACTION99.91
5.06-6.370.18561460.15876309X-RAY DIFFRACTION99.81
6.37-47.010.21421510.17956526X-RAY DIFFRACTION99.29
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)
11.88307481919-0.0306602599619-1.127650946046.151354129793.923299806634.986508533370.03621790813430.0253846096019-0.1001263906320.655162644055-0.1980812789270.2188406960370.0967178583068-0.2788967721540.1822759168250.5125281291010.0461761640510.06288595530980.316841420097-0.02095075954430.303405466741-32.04197998881.0520570964335.7942868954
20.857007570450.0160252057252-0.220543422511.922362819530.906362575922.876765460930.09185842627430.03790633996210.169967890369-0.185673277489-0.1062068448540.225303577942-0.963457450838-0.448584166513-0.0332089066610.7814939225990.1213624650830.007925021830290.407337584023-0.05430287186690.409408077489-34.423824187311.087560309929.0589720059
31.66229568276-0.1375077960340.1945520980982.933289252230.4148039404732.558547278350.1024440748190.1272045588720.111402000868-0.200707051690.00490475100437-0.193223505793-0.3012445897230.15280646682-0.09402180842680.448272156818-0.004939475052380.1084201771540.340054512182-0.05896953532440.252330792821-21.4376066238-6.7921388078316.4844161231
42.9602294717-3.84590787875-1.182669679535.857198508210.434502782789.058918490270.0362335129898-0.165352357394-0.4653319100080.00364555318585-0.05531246603070.03436692534960.357420684483-0.3930760802890.06164271782170.407363012406-0.0267611494429-0.003143536223020.274092268703-0.009803308977570.212500013627-23.7715180723-15.848237018729.7865720608
53.68980088862-2.812550166310.683477698776.243450039471.491891406141.05991633592-0.158116048095-0.161421743309-0.09364996025940.5693381965240.143480204962-0.1395378004880.2339453211910.321685103366-0.004486923262740.4690186502550.014156997189-0.02700779962290.436220332179-0.02938124297350.220298539038-14.2993304577-23.578689361426.8872213578
62.73130280006-0.8243364310771.417730399362.79236199771-1.349893695844.599301134520.07520149384020.53009351776-0.3021536502-0.5172076133340.06728659376490.1861879249510.41142936359-0.143539277115-0.1356103292850.358968547432-0.0288116727010.03569550609750.353809714078-0.09439757600130.234264494458-22.9757743623-31.2935321532-9.46767440086
75.975275018263.143341493272.979343887398.845091805411.805952362313.97019682702-0.1265880851441.096706586670.302850829558-1.427634645430.2542465574330.765506757581-0.4662852915190.279812935733-0.1633259164760.7402588903570.0765995262875-0.08753572743320.612917685080.1464014748320.37355573324-29.5180932234-17.5525526745-21.7681675399
82.33802874464-0.9343435183591.339185431813.25935037096-1.825395272753.17661586192-0.02210304266660.120348947064-0.0446317167219-0.159277353744-0.172049180032-0.1548645925180.05838005277130.352675346330.1792174761710.295711927151-0.0434347966830.08683938355430.279092014284-0.01137432696430.215484174223-14.7409124131-30.85761466221.22954674128
95.149227628940.1263909765673.463699519687.369445868951.685424820616.299114335050.274815475025-0.185887090036-0.308233310157-0.00833225051309-0.0634070654702-0.1852136907220.700000184904-0.104510032677-0.2375631338530.4023173975220.05118019404890.1054019451630.3068622740190.07802696409310.345580238773-14.2205907764-48.84856121129.95904079595
103.09767544689-0.9585681007442.593710849271.41272068582-1.159254483084.79040287097-0.06249191280740.21112005350.238036545204-0.0114413553173-0.101404670862-0.0468478328183-0.610310568930.06660879660180.146310573380.5925422582730.07361797463980.05439185759620.2942578775640.08258291275580.350235925316-14.436108092514.1046628673-57.4469592387
112.24187372219-0.5528270040730.9454079684152.13148669304-0.9925694712772.874395837120.071569973185-0.05973667407450.0830608472849-0.05663593071580.04416404820880.213203880616-0.191551743962-0.262286619557-0.1123570216520.4470138794040.05764790126340.04967667501980.2775891641580.07346003097990.277833705402-13.10722573681.91801029359-41.6001603438
122.16238190929-1.462186790181.980645201323.55600609008-0.2760128654386.814647235990.0228351606460.7712993427890.0566821555911-0.749563719361-0.031156156553-0.4894597873940.1237869137530.774402779170.04736987630450.5181047610520.131394103440.05250816038640.3713478371990.05343371108960.385562080570.186503659893-9.14769929839-53.8477202114
132.00184282606-0.9003631092150.1346347701282.54188291847-0.0149014301312.135645601430.0708186023453-0.0566434124791-0.0612518507387-0.05234068249080.0485463012654-0.04925359593250.1187670812210.139217172344-0.1203769318460.332110458508-0.0194253295364-0.004546813330450.2321059613730.07333529157540.2393710722258.48016326036-18.3085712069-21.7031201083
142.549984842510.9634173554650.5323649265930.6336530734921.187336152763.37820423907-0.144383431162-1.020559865510.4634143612291.268692614580.133380547597-0.1122591384690.140191054556-0.0449391906604-0.07638658639391.660591136660.1162197507230.04222322884060.842312958003-0.1501976428330.59797523118523.309010781152.9986879341-7.74651220863
151.93260434318-0.546713216161-0.2091523172212.598935167221.346005398262.20658703985-0.262599237366-0.489335326047-0.2005544208230.8850011990630.07521270069850.3064840767450.314117567746-0.01799370975390.1795071346830.9537148268830.07528170710560.1544458507430.4260222411160.06205446858520.51287581843119.874034880837.7124143504-22.2086177992
161.190513929470.6450561404022.265018425467.20512221172-0.4531337876765.04178977309-0.0310326640031-0.4277207687960.7353062462270.4401639821350.1249657347630.57074970492-0.0179550477148-0.196777472483-0.153386430230.6978277822920.1225053820710.1846070901010.363820255784-0.0415570298670.70360434888315.575204090152.5535084086-29.0662735152
171.506114607991.299639190841.211994815791.321562864611.827394919364.42725635945-0.156071478867-0.07200094623170.316661139475-0.0776478286605-0.08962737477990.745680346638-0.522817301318-0.4176574653590.2478232987870.616424970680.1222377437760.09514129803430.407432295805-0.05171581636710.730345723187.5262516657149.479436077-38.3919193898
187.65936100772-4.549374774311.423065615014.16045723516-0.5736473519631.138257132470.2417438230640.43939417149-0.0838720154284-0.48704847063-0.305026713093-0.2389439516460.1510450160550.2525951837930.07700874517880.5526363611820.02197461989990.1200650884390.2910492176750.01265420409260.38105705387731.485763642225.7320123059-56.6386248931
197.702397247221.14312910383-1.74706075292.42781146651-3.554341303755.559785145520.0640612453547-0.0871727486995-0.958936124033-0.121804971107-0.2492478996850.1030341176430.9268446598920.7702235538710.212801818830.6684327718040.1707473755410.05208746493510.3249532445870.08181658674460.63504719663642.871695417513.0601819694-47.1101657654
202.81397499365-1.368242658120.8930930216032.18388803038-0.5913603569182.056299961660.06518717833630.172866239941-0.0995452843015-0.52734781785-0.1076779451970.394266853411-0.0607156413196-0.07672787038720.05149220565360.6141183680680.003567484046080.03250657264220.2417720160120.03709821834170.48407706665417.735810934434.1054006407-57.5538692575
210.235272050786-0.09562307865970.7577989861642.76616304693-0.5920121952694.06166742672-0.125194453387-0.5834082637760.2349508790640.0687423228833-0.03701413803221.17112527234-0.134000033364-0.865335852268-0.04780440371670.2693496673820.03353878987020.2382961152170.601600396236-0.05446413983670.594824031339-32.6045025055-20.36676584754.49984877993
220.42982027531-1.109795450250.7612637971833.55227485009-0.6841770176584.52883536402-0.0847773390581-0.0974662659347-0.4059666869310.0408478298002-0.05983845250240.71183398961-0.0797188725782-0.6184766702620.07158364898950.295383620227-0.09131811001140.008335557004750.32352462204-0.08540401240450.368266798355-28.6392352491-19.26550824422.31362815339
232.658768315950.133937589629-1.3022904012.34912704048-1.255995397851.233270218590.2959277584-0.2890010339810.4077340939050.0173503191025-0.189368485904-0.299822004398-0.8356999331440.767540525987-0.09335726435280.510161742941-0.1875345813360.1066217070370.411988120124-0.01322566157630.3631919835075.09204664787-2.47266247771-25.5451876385
241.57173247621-0.663111458430.3527695498760.565825133266-1.107053753032.52395448361-0.222146214197-0.4290008671210.588914325406-0.498636188793-0.0543676962767-0.447186945428-0.4270397937270.2899728296670.2663356515230.592187127716-0.1373362256960.2327098904910.1090548946610.0741966847510.5176015684918.099764261340.0111629194179-28.494597272
251.72015991222-0.4197225004790.7115880086860.3092455201320.7770606289564.31749129861-0.185729889505-0.0485457557327-0.102919305248-0.233925873844-0.231569748116-1.33810149318-0.4686145574240.4788566955580.2533997567640.607347376423-0.04410402241590.187489355320.3533024186060.2114310502060.93455306100831.518570618332.8432187157-41.6406899092
261.43492011275-2.31555849673-0.8100249925634.073544644940.6417783343655.871377408560.104798707042-0.7977112722360.923206283501-0.0677078966325-0.452505057418-0.597941129461-0.6082931629781.196073498190.105342399090.467827363337-0.155007072515-0.05131529084170.4280438554810.05115065734170.82240090821834.620001538236.720857412-41.2855056454
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 - 128
33chain 'A' and (resid 161 through 259 )AA161 - 259129 - 227
44chain 'A' and (resid 260 through 292 )AA260 - 292228 - 260
55chain 'A' and (resid 293 through 333 )AA293 - 333261 - 301
66chain 'A' and (resid 334 through 399 )AA334 - 399302 - 367
77chain 'A' and (resid 400 through 428 )AA400 - 428368 - 396
88chain 'A' and (resid 429 through 535 )AA429 - 535397 - 503
99chain 'A' and (resid 536 through 577 )AA536 - 577504 - 545
1010chain 'B' and (resid 28 through 130 )BB28 - 1301 - 103
1111chain 'B' and (resid 131 through 273 )BB131 - 273104 - 246
1212chain 'B' and (resid 274 through 311 )BB274 - 311247 - 284
1313chain 'B' and (resid 312 through 577 )BB312 - 577285 - 550
1414chain 'C' and (resid 30 through 128 )CC30 - 1281 - 99
1515chain 'C' and (resid 129 through 259 )CC129 - 259100 - 220
1616chain 'C' and (resid 260 through 292 )CC260 - 292221 - 253
1717chain 'C' and (resid 293 through 333 )CC293 - 333254 - 294
1818chain 'C' and (resid 334 through 399 )CC334 - 399295 - 360
1919chain 'C' and (resid 400 through 428 )CC400 - 428361 - 389
2020chain 'C' and (resid 429 through 577 )CC429 - 577390 - 538
2121chain 'E' and (resid 1 through 14 )ED1 - 14
2222chain 'D' and (resid 1 through 14 )DE1 - 14
2323chain 'F' and (resid 1 through 14 )FF1 - 14
2424chain 'G' and (resid 1 through 14 )GG1 - 14
2525chain 'H' and (resid 1 through 14 )HH1 - 14
2626chain 'I' and (resid 1 through 14 )II1 - 14

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