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- PDB-8fs2: CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA... -

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Basic information

Entry
Database: PDB / ID: 8fs2
TitleCamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907)
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
KeywordsTRANSFERASE/DNA/INHIBITOR / DNA Adenine Methylation / PROTEIN-DNA COMPLEX / TRANSFERASE / DNA BINDING PROTEIN / TRANSFERASE-DNA-INHIBITOR 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-YB5 / DNA / DNA (> 10) / site-specific DNA-methyltransferase (adenine-specific)
Similarity search - Component
Biological speciesClostridioides difficile (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 2.59 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: Acs Chem.Biol. / Year: 2023
Title: Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Authors: Zhou, J. / Deng, Y. / Iyamu, I.D. / Horton, J.R. / Yu, D. / Hajian, T. / Vedadi, M. / Rotili, D. / Mai, A. / Blumenthal, R.M. / Zhang, X. / Huang, R. / Cheng, X.
History
DepositionJan 9, 2023Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 10, 2023Provider: repository / Type: Initial release
Revision 1.1May 17, 2023Group: Refinement description / Category: struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_asym_id / _struct_ncs_dom_lim.beg_auth_comp_id ..._struct_ncs_dom_lim.beg_auth_asym_id / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_auth_seq_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_asym_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_auth_seq_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_seq_id

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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)234,50028
Polymers231,9239
Non-polymers2,57719
Water8,575476
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)78,0848
Polymers77,3083
Non-polymers7765
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
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)78,43314
Polymers77,3083
Non-polymers1,12611
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
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)77,9836
Polymers77,3083
Non-polymers6753
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)81.263, 161.245, 229.602
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
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and ((resid 31 and (name N or name...
d_2ens_1(chain "B" and ((resid 31 and (name N or name...
d_3ens_1(chain "C" and (resid 31 through 81 or (resid 82...
d_1ens_2chain "D"
d_2ens_2chain "F"
d_3ens_2chain "H"
d_1ens_3chain "E"
d_2ens_3chain "G"
d_3ens_3chain "I"

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_1TYRTYRLYSLYSAA31 - 13031 - 130
d_12ens_1ILEILEILEILEAA141 - 577141 - 577
d_21ens_1TYRTYRLYSLYSBB31 - 13031 - 130
d_22ens_1ILEILEILEILEBB141 - 577141 - 577
d_31ens_1TYRTYRILEILECC31 - 57731 - 577
d_11ens_2DTDTDADADD1 - 141 - 14
d_21ens_2DTDTDADAFF1 - 141 - 14
d_31ens_2DTDTDADAHH1 - 141 - 14
d_11ens_3DADADADAEE1 - 141 - 14
d_21ens_3DADADADAGG1 - 141 - 14
d_31ens_3DADADADAII1 - 141 - 14

NCS ensembles :
ID
ens_1
ens_2
ens_3

NCS oper:
IDCodeMatrixVector
1given(-0.611008731919, -0.782469206784, -0.120042783842), (-0.776392939278, 0.621925937076, -0.102088846753), (0.15453909977, 0.0308231929887, -0.98750574551)-27.0858777412, -12.2883429612, -18.6243707614
2given(-0.893751490114, 0.0297120857184, -0.447577329498), (-0.427193309021, -0.36068419937, 0.829103603329), (-0.136799673415, 0.932214621365, 0.335054844863)7.49314440286, 12.3826834015, -27.5492523284
3given(-0.612918667036, -0.78370533713, -0.100680942351), (-0.775849178353, 0.621052388438, -0.111139476629), (0.149628740717, 0.00999376652816, -0.988691743964)-27.185365647, -12.4500686799, -18.8332112267
4given(-0.907035575576, 0.0575972659234, -0.417095935725), (-0.412232847982, -0.323183361786, 0.851831317638), (-0.0857353117707, 0.944581954953, 0.316882291541)7.57158249819, 12.9614025149, -26.5083561572
5given(-0.604508656303, -0.790192023733, -0.10082584035), (-0.787727084471, 0.611805939427, -0.0719689715937), (0.118555155284, 0.035917378945, -0.992297645389)-27.1868720109, -12.7880719414, -19.5395052552
6given(-0.943737358602, 0.139222883723, -0.299961308549), (-0.330694758479, -0.394897533214, 0.857144628972), (0.000880166207739, 0.90811504057, 0.418719832822)8.0601947726, 14.1950002804, -24.470211185

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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(*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 / 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, 495 molecules

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


Mass: 62.068 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C2H6O2
#5: Chemical ChemComp-YB5 / 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine


Mass: 596.787 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C30H44N8O3S / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical
ChemComp-K / POTASSIUM ION


Mass: 39.098 Da / Num. of mol.: 9 / Source method: obtained synthetically / Formula: K
#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 476 / 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: 3.24 Å3/Da / Density % sol: 62.07 %
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: 7-7.5

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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: Dec 5, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.59→45.83 Å / Num. obs: 93026 / % possible obs: 98.2 % / Redundancy: 12.9 % / Biso Wilson estimate: 53.61 Å2 / CC1/2: 0.995 / Net I/σ(I): 10.23
Reflection shellResolution: 2.59→2.68 Å / Num. unique obs: 8270 / CC1/2: 0.422 / % possible all: 88.16

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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: 2.59→45.83 Å / SU ML: 0.4004 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 23.5439
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2065 1999 2.15 %
Rwork0.1733 90970 -
obs0.174 92969 98.13 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 62.56 Å2
Refinement stepCycle: LAST / Resolution: 2.59→45.83 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13318 1704 163 476 15661
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.006115660
X-RAY DIFFRACTIONf_angle_d0.825221461
X-RAY DIFFRACTIONf_chiral_restr0.05232352
X-RAY DIFFRACTIONf_plane_restr0.00672415
X-RAY DIFFRACTIONf_dihedral_angle_d17.07685991
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2BX-RAY DIFFRACTIONTorsion NCS0.706585665668
ens_1d_3CX-RAY DIFFRACTIONTorsion NCS0.832697288862
ens_2d_2FX-RAY DIFFRACTIONTorsion NCS0.891695329092
ens_2d_3HX-RAY DIFFRACTIONTorsion NCS1.30941497009
ens_3d_2GX-RAY DIFFRACTIONTorsion NCS1.01609235448
ens_3d_3IX-RAY DIFFRACTIONTorsion NCS1.19902189142
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.59-2.650.41631220.3565540X-RAY DIFFRACTION84.49
2.65-2.730.37571370.31976191X-RAY DIFFRACTION94.84
2.73-2.810.34341420.29836456X-RAY DIFFRACTION98.54
2.81-2.90.33151420.26796486X-RAY DIFFRACTION98.93
2.9-30.26461430.24356501X-RAY DIFFRACTION99.54
3-3.120.27821440.23276557X-RAY DIFFRACTION99.84
3.12-3.260.26311440.21676562X-RAY DIFFRACTION99.91
3.26-3.430.26331440.17816570X-RAY DIFFRACTION99.82
3.43-3.650.19011450.15696585X-RAY DIFFRACTION99.82
3.65-3.930.18211450.14696591X-RAY DIFFRACTION99.72
3.93-4.330.15281450.12476611X-RAY DIFFRACTION99.37
4.33-4.950.13151460.11786654X-RAY DIFFRACTION99.99
4.95-6.230.18591480.14296764X-RAY DIFFRACTION99.97
6.24-45.830.16751520.15886902X-RAY DIFFRACTION98.93
Refinement TLS params.

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

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
14.38841762998-0.4318313365180.8943069214384.71221618749-0.9382578669125.11728684091-0.01300328018750.497255863346-0.0104461835851-0.794767601464-0.013238788009-0.4732718775840.4109908010370.7219656480870.01193237059020.5539538732740.1557442566870.03125035640860.5216219174080.04245808666350.4371130433240.25023107603-9.18098842487-53.677860285
21.58388630805-0.8958432860840.05664593236732.508534543960.3707526170472.183781406170.0677049878252-0.0396792008526-0.00861475081116-0.0011588037930.0481383182778-0.06740422643310.06209209045910.191356857753-0.1170881520110.281167038529-0.0269111883229-0.004045272821240.2916414177020.06450498340690.2932437264668.62024257882-18.3892247227-21.607678029
31.79302414072-0.434564392636-0.4466544507342.934763333861.570892163172.95948597804-0.124786852923-0.501723321860.08788574357150.827139229230.02968461857730.0766311876799-0.0226622689324-0.01379300028720.1129697097760.8473287884790.07867306694920.06696735438110.5355189771060.01160020684990.48409614473819.55326901446.4394912864-18.5660724556
42.43444676108-1.229084515530.6820638344151.97666885174-0.2184591979071.85018471370.1004221894870.107833439458-0.089148707539-0.308960931832-0.1160973438370.155142037614-0.03031936105670.03077819276610.01333079239920.490747694824-0.01256246907020.05559906316540.3060191368670.04694111518150.45550371802122.527177970930.7518546682-54.8805020606
50.572307674477-1.180154815910.4153895805092.57286700056-0.684128542023.395503792330.119117255155-0.7222875121980.2389646990250.137234429722-0.1984179580531.17996181858-0.0444624450209-0.766487516068-0.202951215810.420552282293-0.01109502274750.2001176466780.776871633777-0.05614718795270.646716164529-32.4853174514-20.5034697664.33218795797
60.487145956949-0.3217993205980.9762630809743.7645104362-0.8040732896591.97356244768-0.1433143576060.182858561244-0.3857402299190.1685480934140.0004663433581920.7544942152860.186878317323-0.9345854323390.06074927815620.408224972962-0.1472943220580.02959472834120.607127794533-0.08493089279730.531586340436-28.5700774332-19.35091881792.2055559128
72.83347445637-0.684908402556-1.874586257781.3913665776-0.01962143448921.377529581590.378083479066-0.3593996637040.475692748773-0.0440799105665-0.236906292164-0.191943182115-0.6389116697330.934867699807-0.1124281467260.430767257887-0.1547641276510.04059198731750.5473239729650.0492931742980.3925353134485.27138957984-2.5563340177-25.4866138258
81.17304214206-0.5515982864870.221286933051.8563917752-1.320547042613.03135805147-0.185130785752-0.02457827329840.0901429024974-0.325240213183-0.0603416593076-0.53451047547-0.08520344888570.4159810191240.2352513119480.545894144611-0.08106215606490.1213904070180.3673078751450.02582935330760.5189401961328.2188804262-0.0617869236555-28.4412843618
91.8268715957-1.293233032750.6865614881431.824361546321.482642449234.4017891566-0.1910045691440.006239101482110.102520751842-0.0511110410465-0.133854572472-0.933482670023-0.3034967515230.5584124880010.2917245920580.558405516654-0.0309398075010.127882529040.5018694660840.1818524793160.73999590047131.432519556632.8703646289-41.6512782807
102.09388867508-2.22946092556-1.260418349843.042694906060.3291312868446.03111226743-0.130083040019-0.6455240898260.679494025409-0.270414387089-0.306471085502-0.649629833289-0.3545328376830.992949579590.3210936523280.465672779493-0.066427547532-0.08267755276690.5550450202780.050927478040.78322347712134.572570468536.7550412191-41.2858294042
112.507390582020.0209232155478-1.162573847744.755166826481.717191544154.03270889249-0.02131728153870.0446285794138-0.03750977877290.563912099875-0.04376964402720.148628203394-0.0679308953863-0.1601755131970.1178060699560.5321869520390.0412388957120.07712951435610.350853317608-0.02352106897020.354914136606-31.96744719761.2955661189235.9644479265
120.805287056409-1.01235601499-0.9107897361622.959295676822.253933213054.662364048740.09757839880170.09010081786890.0713836916182-0.297865465557-0.07676126680990.0186181822075-0.79120688829-0.19827233565-0.04394260333450.6236101717530.003179666776230.05935200242030.397964636171-0.02832337829530.43635891534-29.04817686465.4037984290721.5674483083
133.01633495320.169092984829-0.8682533124885.947130168731.046079012634.89331251071-0.0688678036836-0.1137379641770.09874309574020.2455885778080.0811790139244-0.222510842306-0.1166187601540.242585586506-0.02497418493180.40201390118-0.02070199373210.02384799565730.378512254777-0.04429455253660.280338518055-20.1552693206-9.9698776635622.9145919544
140.282350424929-0.508578613768-0.652035207931.416866906120.6527311776423.40100860009-0.107669879892-0.0626751295720.03215993699060.3645773878120.0269898681259-0.0552241476930.1325422941530.1613574950490.09849779482430.352296364015-0.06008799615650.02480036942390.431095593965-0.000599270316090.4031876438-17.8368849674-23.921888181318.4900069332
152.8723582627-0.7114959926861.487844591893.736407397760.1749272378482.357326286720.04574232309980.624477461415-0.0400118793288-1.065669720890.08430079356070.3769781528680.0981321856987-0.10139463812-0.158123941460.478071299521-0.0340473964614-0.04328007926070.607989317758-0.04791218613980.353629786405-27.706672123-27.3150917973-16.4309947519
161.81019346309-0.2574408427830.8024053632843.19978162117-1.888368118073.919672557980.02918092412270.0915447745882-0.0866791574288-0.180231049421-0.194471407739-0.1129790890740.08351892307940.3932978511120.1468948748940.271694272952-0.03388868340740.06827774660320.377368307428-0.04161151886320.276868251574-14.5781555291-30.82630356551.24655811679
172.47118098085-1.052703983681.295336061166.9669889636-0.3840902043086.716651901760.158130065594-0.194301041758-0.319199621907-0.1634073806760.0231985729787-0.1804546458380.8692854976270.0658959689609-0.2023361430190.4480901701680.04547480516550.09072636930180.3738222475340.04798864403610.459121942732-14.0236482962-48.748421156910.0640089448
184.41881503099-2.031300818511.735307662323.26638350735-2.355980791096.22249484125-0.01644936216560.04467207276970.1452695331830.0873813994254-0.15855865707-0.218928712211-0.390534114060.1931706443860.1608204275080.4793494638210.02603476358190.05932324674810.3244922506210.09909457432360.361805088649-10.69818306637.65185120217-54.018215503
193.6168037492-0.1069625486923.42684048170.894566285011-0.3030547703777.47275037507-0.1548316684660.1915264983280.248408094824-0.0710485478878-0.07950667446760.0489978174522-0.6999595338590.04677937457880.2761688918990.5940696870650.09530798025410.04631334365940.378462303920.08721988106290.44849717685-16.130325569217.8224289646-58.923064339
202.16421276371-0.9131247196050.9764035847352.10388828759-1.193097355353.265061194950.0699172310515-0.03585430411910.0730641170171-0.0361044920960.05388033092480.154078086144-0.141428136871-0.300302131535-0.1259368801190.4322021800850.03812158764920.05219605795840.4055051392890.07304856665840.384768924663-13.0029712921.72653134846-41.3896090302
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'B' and (resid 274 through 311 )BD274 - 311248 - 285
22chain 'B' and (resid 312 through 577 )BD312 - 577286 - 551
33chain 'C' and (resid 31 through 311 )CJ31 - 3111 - 271
44chain 'C' and (resid 312 through 577 )CJ312 - 577272 - 537
55chain 'E' and (resid 1 through 14 )EM1 - 14
66chain 'D' and (resid 1 through 14 )DL1 - 14
77chain 'F' and (resid 1 through 14 )FN1 - 14
88chain 'G' and (resid 1 through 14 )GO1 - 14
99chain 'H' and (resid 1 through 14 )HP1 - 14
1010chain 'I' and (resid 1 through 14 )IQ1 - 14
1111chain 'A' and (resid 30 through 90 )AA30 - 901 - 61
1212chain 'A' and (resid 91 through 206 )AA91 - 20662 - 172
1313chain 'A' and (resid 207 through 273 )AA207 - 273173 - 239
1414chain 'A' and (resid 274 through 359 )AA274 - 359240 - 325
1515chain 'A' and (resid 360 through 428 )AA360 - 428326 - 394
1616chain 'A' and (resid 429 through 535 )AA429 - 535395 - 501
1717chain 'A' and (resid 536 through 577 )AA536 - 577502 - 543
1818chain 'B' and (resid 27 through 66 )BD27 - 661 - 40
1919chain 'B' and (resid 67 through 130 )BD67 - 13041 - 104
2020chain 'B' and (resid 131 through 273 )BD131 - 273105 - 247

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