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- PDB-7pli: DEAD-box helicase DbpA bound to single stranded RNA and ADP/BeF3 -

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Basic information

Entry
Database: PDB / ID: 7pli
TitleDEAD-box helicase DbpA bound to single stranded RNA and ADP/BeF3
Components
  • ATP-dependent RNA helicase DbpA
  • RNA (5'-D(*(POP))-R(P*GP*GP*AP*CP*AP*UP*AP*UP*GP*GP*CP*UP*GP*UP*UP*CP*GP*CP*CP*AP*UP*U)-3')
KeywordsRNA BINDING PROTEIN / DEAD-box helicase / RNA / ribosome biogenesis / ATPase
Function / homology
Function and homology information


DNA/RNA helicase activity / 3'-5' RNA helicase activity / ADP binding / ribosome biogenesis / RNA helicase activity / rRNA binding / RNA helicase / ATP hydrolysis activity / ATP binding / cytosol
Similarity search - Function
ATP-dependent RNA helicase DbpA / DEAD box helicase DbpA/CsdA, RNA-binding domain / DbpA RNA binding domain / : / DEAD-box subfamily ATP-dependent helicases signature. / ATP-dependent RNA helicase DEAD-box, conserved site / DEAD-box RNA helicase Q motif profile. / DEAD/DEAH box helicase / DEAD/DEAH box helicase domain / Helicase conserved C-terminal domain ...ATP-dependent RNA helicase DbpA / DEAD box helicase DbpA/CsdA, RNA-binding domain / DbpA RNA binding domain / : / DEAD-box subfamily ATP-dependent helicases signature. / ATP-dependent RNA helicase DEAD-box, conserved site / DEAD-box RNA helicase Q motif profile. / DEAD/DEAH box helicase / DEAD/DEAH box helicase domain / Helicase conserved C-terminal domain / helicase superfamily c-terminal domain / Superfamilies 1 and 2 helicase C-terminal domain profile. / Superfamilies 1 and 2 helicase ATP-binding type-1 domain profile. / DEAD-like helicases superfamily / Helicase, C-terminal / Helicase superfamily 1/2, ATP-binding domain / Nucleotide-binding alpha-beta plait domain superfamily / P-loop containing nucleoside triphosphate hydrolase
Similarity search - Domain/homology
ADENOSINE-5'-DIPHOSPHATE / BERYLLIUM TRIFLUORIDE ION / RNA / RNA (> 10) / ATP-dependent RNA helicase DbpA
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.5 Å
AuthorsWurm, J.P.
Funding support Germany, 1items
OrganizationGrant numberCountry
German Research Foundation (DFG)WU 988/1-1 Germany
CitationJournal: Rna / Year: 2023
Title: Structural basis for RNA-duplex unwinding by the DEAD-box helicase DbpA.
Authors: Wurm, J.P.
History
DepositionAug 31, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Sep 7, 2022Provider: repository / Type: Initial release
Revision 1.1Sep 20, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / struct_ncs_dom_lim
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _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
Revision 1.2Jan 31, 2024Group: Refinement description / Category: pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: ATP-dependent RNA helicase DbpA
D: RNA (5'-D(*(POP))-R(P*GP*GP*AP*CP*AP*UP*AP*UP*GP*GP*CP*UP*GP*UP*UP*CP*GP*CP*CP*AP*UP*U)-3')
B: ATP-dependent RNA helicase DbpA
C: RNA (5'-D(*(POP))-R(P*GP*GP*AP*CP*AP*UP*AP*UP*GP*GP*CP*UP*GP*UP*UP*CP*GP*CP*CP*AP*UP*U)-3')
E: ATP-dependent RNA helicase DbpA
G: RNA (5'-D(*(POP))-R(P*GP*GP*AP*CP*AP*UP*AP*UP*GP*GP*CP*UP*GP*UP*UP*CP*GP*CP*CP*AP*UP*U)-3')
J: ATP-dependent RNA helicase DbpA
L: RNA (5'-D(*(POP))-R(P*GP*GP*AP*CP*AP*UP*AP*UP*GP*GP*CP*UP*GP*UP*UP*CP*GP*CP*CP*AP*UP*U)-3')
I: ATP-dependent RNA helicase DbpA
K: RNA (5'-D(*(POP))-R(P*GP*GP*AP*CP*AP*UP*AP*UP*GP*GP*CP*UP*GP*UP*UP*CP*GP*CP*CP*AP*UP*U)-3')
F: ATP-dependent RNA helicase DbpA
H: RNA (5'-D(*(POP))-R(P*GP*GP*AP*CP*AP*UP*AP*UP*GP*GP*CP*UP*GP*UP*UP*CP*GP*CP*CP*AP*UP*U)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)344,11530
Polymers341,01012
Non-polymers3,10518
Water43224
1
A: ATP-dependent RNA helicase DbpA
D: RNA (5'-D(*(POP))-R(P*GP*GP*AP*CP*AP*UP*AP*UP*GP*GP*CP*UP*GP*UP*UP*CP*GP*CP*CP*AP*UP*U)-3')
B: ATP-dependent RNA helicase DbpA
C: RNA (5'-D(*(POP))-R(P*GP*GP*AP*CP*AP*UP*AP*UP*GP*GP*CP*UP*GP*UP*UP*CP*GP*CP*CP*AP*UP*U)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)114,70510
Polymers113,6704
Non-polymers1,0356
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
E: ATP-dependent RNA helicase DbpA
G: RNA (5'-D(*(POP))-R(P*GP*GP*AP*CP*AP*UP*AP*UP*GP*GP*CP*UP*GP*UP*UP*CP*GP*CP*CP*AP*UP*U)-3')
F: ATP-dependent RNA helicase DbpA
H: RNA (5'-D(*(POP))-R(P*GP*GP*AP*CP*AP*UP*AP*UP*GP*GP*CP*UP*GP*UP*UP*CP*GP*CP*CP*AP*UP*U)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)114,70510
Polymers113,6704
Non-polymers1,0356
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
J: ATP-dependent RNA helicase DbpA
L: RNA (5'-D(*(POP))-R(P*GP*GP*AP*CP*AP*UP*AP*UP*GP*GP*CP*UP*GP*UP*UP*CP*GP*CP*CP*AP*UP*U)-3')
I: ATP-dependent RNA helicase DbpA
K: RNA (5'-D(*(POP))-R(P*GP*GP*AP*CP*AP*UP*AP*UP*GP*GP*CP*UP*GP*UP*UP*CP*GP*CP*CP*AP*UP*U)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)114,70510
Polymers113,6704
Non-polymers1,0356
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)58.643, 121.599, 122.417
Angle α, β, γ (deg.)97.157, 92.426, 103.438
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 3 through 272 or resid 274...
d_2ens_1(chain "B" and (resid 3 through 272 or resid 274...
d_3ens_1(chain "E" and (resid 3 through 272 or resid 274...
d_4ens_1(chain "F" and resid 3 through 502)
d_5ens_1(chain "I" and (resid 3 through 272 or resid 274 through 502))
d_6ens_1(chain "J" and (resid 3 through 272 or resid 274 through 369 or resid 373 through 502))
d_1ens_2(chain "C" and (resid 0 through 4 or resid 7...
d_2ens_2(chain "D" and (resid 0 through 4 or resid 7...
d_3ens_2(chain "G" and (resid 0 through 4 or resid 7...
d_4ens_2(chain "H" and (resid 0 through 4 or resid 7 through 21))
d_5ens_2(chain "K" and (resid 0 through 4 or resid 7...
d_6ens_2(chain "L" and (resid 0 through 4 or resid 7...

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_1ALAALAHISHISAA3 - 2725 - 274
d_12ens_1ASPASPPROPROAA274 - 369276 - 371
d_13ens_1SERSERLEULEUAA373 - 456375 - 458
d_14ens_1ADPADPADPADPAM500
d_15ens_1BEFBEFBEFBEFAN501
d_21ens_1ALAALAHISHISBC3 - 2725 - 274
d_22ens_1ASPASPPROPROBC274 - 369276 - 371
d_23ens_1SERSERLEULEUBC373 - 456375 - 458
d_24ens_1ADPADPADPADPBP500
d_25ens_1BEFBEFBEFBEFBQ501
d_31ens_1ALAALAHISHISEE3 - 2725 - 274
d_32ens_1ASPASPPROPROEE274 - 369276 - 371
d_33ens_1SERSERLEULEUEE373 - 456375 - 458
d_34ens_1ADPADPADPADPES500
d_35ens_1BEFBEFBEFBEFET501
d_41ens_1ALAALALEULEUFK3 - 4565 - 458
d_42ens_1ADPADPADPADPFBA500
d_43ens_1BEFBEFBEFBEFFCA501
d_51ens_1ALAALAHISHISII3 - 2725 - 274
d_52ens_1ASPASPLEULEUII274 - 456276 - 458
d_53ens_1ADPADPADPADPIY500
d_54ens_1BEFBEFBEFBEFIZ501
d_61ens_1ALAALAHISHISJG3 - 2725 - 274
d_62ens_1ASPASPPROPROJG274 - 369276 - 371
d_63ens_1SERSERLEULEUJG373 - 456375 - 458
d_64ens_1ADPADPADPADPJV500
d_65ens_1BEFBEFBEFBEFJW501
d_11ens_2POPPOPUUDB0 - 221 - 23
d_21ens_2POPPOPUUCD0 - 221 - 23
d_31ens_2POPPOPUUGF0 - 211 - 22
d_41ens_2POPPOPUULH0 - 221 - 23
d_51ens_2POPPOPUUKJ0 - 221 - 23
d_61ens_2POPPOPUUHL0 - 221 - 23

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(0.993931689136, -0.0734803316032, 0.0818562043958), (-0.075800501009, -0.996794251992, 0.0256027975426), (0.0797124919782, -0.031652173112, -0.996315240554)0.0298296219097, 66.0051818645, 63.5435859494
2given(-0.168639234508, 0.474729592579, 0.863824416484), (-0.647126799806, 0.607726364718, -0.460321160277), (-0.743496949258, -0.636632138331, 0.204723733083)-35.8504507357, 55.5694274787, 77.5006105826
3given(-0.175046275283, -0.556764749942, -0.812017127117), (-0.557651530751, -0.623638031967, 0.547814179568), (-0.811408387781, 0.548715425613, -0.201315200452)47.7516679401, 71.3961560291, 49.44389138
4given(-0.15794774334, -0.50296784935, -0.849750465074), (0.56024625021, 0.66298808663, -0.496559096294), (0.813127695691, -0.554499900367, 0.17706837943)53.1326881522, -4.97110300715, 13.9603242151
5given(-0.207357578363, 0.449904867867, 0.868670504026), (0.604847251978, -0.638941320811, 0.475303892615), (0.768871014196, 0.623970831393, -0.139634397982)-32.0029534513, 11.2752646337, -16.9655620476
6given(0.994205212675, -0.0760460534359, 0.0759802135198), (-0.0762988657645, -0.997084901957, 0.000425878376362), (0.0757263373783, -0.00622061461385, -0.997109234628)0.310320748885, 66.7920817497, 63.2079645144
7given(-0.146683070882, -0.436620825604, -0.887607081633), (-0.614798707261, -0.662711843841, 0.427592752023), (-0.774923626087, 0.608420304297, -0.17122531078)49.2319325391, 74.2244416897, 47.0627969416
8given(-0.177616458582, 0.443826130529, 0.878334081942), (-0.517541749185, 0.717004977394, -0.466962953822), (-0.837020269462, -0.537514863284, 0.102346667057)-37.0573531317, 55.4309118513, 78.1555996142
9given(-0.183933869623, 0.464794430586, 0.866103035962), (0.518281751494, -0.702835226842, 0.487243953249), (0.835195999555, 0.538506064224, -0.111619268588)-32.6102557409, 10.8971353701, -14.716331051
10given(-0.168653395128, -0.441295154319, -0.88137087488), (0.629358144664, 0.639964947266, -0.440855069173), (0.758593671247, -0.629049642751, 0.169800438452)53.0036227926, -4.64400305756, 15.1571059484

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Components

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Protein / RNA chain , 2 types, 12 molecules ABEJIFDCGLKH

#1: Protein
ATP-dependent RNA helicase DbpA


Mass: 49358.754 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (strain K12) (bacteria)
Strain: K12 / Gene: dbpA, b1343, JW1337 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P21693, RNA helicase
#2: RNA chain
RNA (5'-D(*(POP))-R(P*GP*GP*AP*CP*AP*UP*AP*UP*GP*GP*CP*UP*GP*UP*UP*CP*GP*CP*CP*AP*UP*U)-3')


Mass: 7476.280 Da / Num. of mol.: 6 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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Non-polymers , 4 types, 42 molecules

#3: Chemical
ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE


Mass: 427.201 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C10H15N5O10P2 / Comment: ADP, energy-carrying molecule*YM
#4: Chemical
ChemComp-BEF / BERYLLIUM TRIFLUORIDE ION


Mass: 66.007 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: BeF3
#5: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Mg
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 24 / Source method: isolated from a natural source / Formula: H2O

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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: 2.46 Å3/Da / Density % sol: 50.07 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8
Details: 20 % (v/v) PEG 3350, 400 mM KSCN, 100 mM Tris, pH 8.0

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: X13 / Wavelength: 0.9766 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 5, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9766 Å / Relative weight: 1
ReflectionResolution: 2.5→56.88 Å / Num. obs: 108844 / % possible obs: 96.62 % / Redundancy: 3.6 % / Biso Wilson estimate: 51.89 Å2 / CC1/2: 0.99 / Net I/σ(I): 7.25
Reflection shellResolution: 2.5→2.589 Å / Redundancy: 3.6 % / Mean I/σ(I) obs: 1.75 / Num. unique obs: 10869 / CC1/2: 0.75 / % possible all: 96.52

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Processing

Software
NameVersionClassification
PHENIX1.18.2_3874+SVNrefinement
PHENIX1.18.2_3874+SVNphasing
XDSdata reduction
XDSdata scaling
Cootmodel building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2db3, 3moj

2db3

3moj


Resolution: 2.5→56.88 Å / SU ML: 0.3521 / Cross valid method: FREE R-VALUE / σ(F): 1.98 / Phase error: 28.2317
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2469 5440 5 %
Rwork0.2133 103374 -
obs0.2149 108814 96.62 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 69.07 Å2
Refinement stepCycle: LAST / Resolution: 2.5→56.88 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms20580 2753 192 24 23549
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003524195
X-RAY DIFFRACTIONf_angle_d0.83433470
X-RAY DIFFRACTIONf_chiral_restr0.04834041
X-RAY DIFFRACTIONf_plane_restr0.00453833
X-RAY DIFFRACTIONf_dihedral_angle_d18.889375
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.64269744328
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS0.77888609011
ens_1d_4AX-RAY DIFFRACTIONTorsion NCS0.828230347365
ens_1d_5AX-RAY DIFFRACTIONTorsion NCS0.867433739566
ens_1d_6AX-RAY DIFFRACTIONTorsion NCS0.802428733745
ens_2d_2JX-RAY DIFFRACTIONTorsion NCS0.767227981401
ens_2d_3JX-RAY DIFFRACTIONTorsion NCS3.05740376433
ens_2d_4JX-RAY DIFFRACTIONTorsion NCS1.63812116603
ens_2d_5JX-RAY DIFFRACTIONTorsion NCS1.05911061611
ens_2d_6JX-RAY DIFFRACTIONTorsion NCS1.55011720814
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.5-2.530.37321810.30753443X-RAY DIFFRACTION96.33
2.53-2.560.34351830.30893462X-RAY DIFFRACTION96.28
2.56-2.590.34251800.30673419X-RAY DIFFRACTION96.96
2.59-2.620.3431800.30893435X-RAY DIFFRACTION96.07
2.62-2.660.32271850.29873497X-RAY DIFFRACTION96.44
2.66-2.690.34851780.29093383X-RAY DIFFRACTION96.01
2.69-2.730.30351780.27553381X-RAY DIFFRACTION95.8
2.73-2.770.31081810.27913449X-RAY DIFFRACTION95.75
2.77-2.820.30351780.27373386X-RAY DIFFRACTION95.32
2.82-2.860.36081720.27743252X-RAY DIFFRACTION92.24
2.86-2.910.28891870.27453556X-RAY DIFFRACTION97.68
2.91-2.960.31461810.27873443X-RAY DIFFRACTION97.29
2.96-3.020.27881810.27623445X-RAY DIFFRACTION97.5
3.02-3.080.31921860.27893522X-RAY DIFFRACTION97.48
3.08-3.150.31991790.28883431X-RAY DIFFRACTION97.65
3.15-3.220.33821850.26963512X-RAY DIFFRACTION97.6
3.22-3.30.26841820.2533459X-RAY DIFFRACTION97.43
3.3-3.390.25921830.23433481X-RAY DIFFRACTION97.21
3.39-3.490.25911840.23283479X-RAY DIFFRACTION97.39
3.49-3.610.29881820.22293461X-RAY DIFFRACTION97.12
3.61-3.730.25071800.22033434X-RAY DIFFRACTION97.05
3.73-3.880.21821810.20093434X-RAY DIFFRACTION95.84
3.88-4.060.20421780.19833378X-RAY DIFFRACTION94.62
4.06-4.270.25381740.18063307X-RAY DIFFRACTION93.58
4.27-4.540.19771870.15613551X-RAY DIFFRACTION98.32
4.54-4.890.18461850.15573522X-RAY DIFFRACTION98.25
4.89-5.380.20051840.17183488X-RAY DIFFRACTION98.26
5.39-6.160.22361820.19183455X-RAY DIFFRACTION97.74
6.16-7.760.21421810.18743449X-RAY DIFFRACTION96.65
7.76-56.880.18111820.15713460X-RAY DIFFRACTION96.78
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)
11.63244658791-0.3318985633970.5107789587913.579433865410.3148371479293.399275509470.1042654013370.15164453652-0.4242124370880.231357508495-0.0854690779112-0.0525651015920.657682190788-0.2484261206610.02388436610120.591047805737-0.1432782306680.04042800020520.401251698155-0.06630509464890.495121851371-16.1627108431-1.644869440140.8187581778
21.88468682604-1.042796813381.179628932361.04617068-0.4221824944111.695661172510.1213745770410.247186561474-0.502120923284-0.2178480941760.01210491746070.2756556677590.372381919484-0.109560267921-0.0889282839370.439685473644-0.121289234860.03403235631180.486225961452-0.06594661136170.557864207937-22.934086799110.441113885737.1038208973
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501.4949481915-0.345187093985-0.4511282962051.54444753607-1.291455560742.16560917558-0.0110069591897-0.250652823290.3712623420480.5328174896770.08306629776920.0429157057907-1.24669263987-0.557854030038-0.1187902910961.364750818120.442574159280.01842742612970.870811127978-0.07407338324430.612722611488.7327979037-9.1174162245612.8908812056
517.094082415760.1839373025960.683633067011.492170329762.377073638789.068682315920.109844975932-0.167376542471-1.59444394554-1.757989862140.613757679363-0.8148301953140.8265210863580.934026256493-0.6843256859321.015314601710.225796271004-0.05852350118940.564781449987-0.1460826652160.91207362410131.02352873449.68458030829-18.4486383798
523.549068115590.430373231817-0.2128542306584.430308813312.258691259441.22074993566-0.3183777016190.4519885137130.427211245101-0.4588938088920.34432064112-0.148626988928-0.6009955469210.1679696799220.001352181355870.865246717404-0.0419865117356-0.07259316349220.71901585520.08144777659410.87069650506926.5966490637-9.62269632641-8.999789483
531.74394931197-1.16684381709-3.286858785740.7691763671792.196616253336.35585319144-0.852168983031-1.040241530190.1824190663021.21496037320.71335839538-0.225989838321-0.7296964279021.374540855020.2311169939621.377123114330.146723934201-0.1994894984560.942430144097-0.02862035759280.8196368401827.9388506837-9.0523749474411.0878709359
543.9403610595-1.7714082841-0.9390065440914.67678948045-3.597594753616.50953100431-0.30867165917-0.4288110582380.2868194748950.07593127099360.64647619626-1.22751141565-1.07029696480.363482879903-0.2719505566561.07426021128-0.0305567712372-0.01878013920170.692570099543-0.01177332629561.114219339634.9337521852-7.659774972530.0956982024304
552.167757287431.85712633108-1.096413305482.22248291936-2.909557872986.764149654331.185834811462.14779543553-1.02211322289-1.31348529314-1.0574196313-0.632946587688-0.5005752456830.662286690239-0.04799720678941.33941098795-0.1144060450390.3597545247741.21071964154-0.2506349587791.3539288293432.444145795-16.6436350093-13.4330935098
562.76395770952-0.02475856190381.435943629513.3977924263-0.5244545727982.68162957068-0.1015429088470.889427564531-0.320952299601-0.08896779762760.27004986629-0.492840097361-0.0383209854470.499540197414-0.2100200888640.74321500127-0.249122431510.1891048605040.684052380506-0.1607680953770.64032369638717.979675526104.00727779553.6060349237
572.81437347019-1.72625913762.12682963142.333645736570.4404800056514.042783017010.321323086480.008879269506-1.228129560490.626851238240.197695974076-0.1066715862380.07300964076760.214920645868-0.4857972066180.871710671418-0.2035746564950.04920287325020.446277377262-0.02514595986060.86712712738414.267695028593.254624667164.4513442421
583.244781881760.6882508948831.085907585191.471514615170.1378608277813.270651289580.278398617798-1.06844606596-0.8558900325980.4667674322190.08104293281050.09035662965630.537809961402-0.626701332582-0.3665206717351.08119537678-0.2749223988770.1104169498550.6975722889050.1620322669770.7840097270695.9386488063795.131350598973.6019062318
594.735199013711.772097415822.845429668792.8292136960.9023164801693.54728073254-0.0606150063188-0.03137415653630.06242981698290.2011663611990.08890208562530.371817283595-0.493245782769-0.109349447461-0.01516045760540.784727013533-0.1350982209090.1436078097840.44059115206-0.02208446281390.569306382975-1.20294580803106.53602048356.6106731088
603.42549336381-0.02383157328311.553671335061.96399118751-0.446318645552.460975146570.5102550242660.167610706699-1.26094422583-0.2289765773850.02898490753130.557273544490.657549210252-0.314508663221-0.4693181878420.767715764249-0.233457430952-0.00692080815310.600201917142-0.1638463553181.12659062466-9.391123442689.821131127947.7584395221
612.16184184626-0.6487790996190.7332974389020.742384057288-0.9660738393351.322604962640.6456563637410.188030660786-0.99841613323-0.152079151167-0.130957379081-0.2664151147090.2086956261670.77114542694-0.5626103394171.37172447511-0.175782750596-0.3813985005670.795616524115-0.25756882561.6053117272814.414451519172.905175782652.909453563
621.131548304050.7320866333580.1351578354971.767948468091.244544817521.414174578890.345136972137-0.125557904454-0.3504108341520.88718797343-0.457051599198-0.4381871066581.07535481296-0.02458790844120.006531629463131.24316058617-0.215230450712-0.2493601745610.751352384167-0.2187365616911.57133841439.9982215610966.354373978452.7464056179
634.82708184436-1.51954327534-0.1407747115717.719618916932.846545295556.64773928782-0.516748390806-0.130061200441.25931665261-0.1366593293180.679574143725-1.36702880723-0.5514356003871.01940777123-0.1739324822380.649653919853-0.175345632526-0.07168764178670.5548025534910.01933641339450.76581327389227.14321596758.119984242882.341531669
645.02929724409-3.445411103681.576786351352.40077014222-1.356894880636.034432747270.954753715023-1.26788639076-0.4480039357710.1953708772810.821271095724-0.3105344491060.9332406114480.117875608023-1.639288863361.55146156932-0.308226503771-0.4416405926540.7501451560080.2162021816841.535023045921.123644804478.585778575672.241171679
651.70029052927-0.80716147913-0.555325648652.567478574730.2099571752190.198456961004-0.2110774775530.1728892643720.3596475880470.5469234403210.560411533193-0.843272024517-0.09760279193640.87462274543-0.3503133368441.19792572472-0.052753582098-0.4562456954980.884735063496-0.1924518884332.252930580526.490964514376.266330101357.7261362321
666.610851215763.89657688151-0.8796462867045.797529794752.199744947217.283863374442.169685492080.655845836965-3.912023551420.399277425939-0.710804449295-0.7495914583661.277360293320.218979355977-1.517375237721.710851445170.25869659993-0.873873838161.54036664237-0.4701290474282.0694747935328.646241684884.330018390175.9634104176
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 52 )AA1 - 521 - 52
22chain 'A' and (resid 53 through 80 )AA53 - 8053 - 80
33chain 'A' and (resid 81 through 111 )AA81 - 11181 - 111
44chain 'A' and (resid 112 through 148 )AA112 - 148112 - 148
55chain 'A' and (resid 149 through 198 )AA149 - 198149 - 198
66chain 'A' and (resid 199 through 301 )AA199 - 301199 - 301
77chain 'A' and (resid 302 through 346 )AA302 - 346302 - 346
88chain 'A' and (resid 347 through 381 )AA347 - 381347 - 381
99chain 'A' and (resid 382 through 423 )AA382 - 423382 - 423
1010chain 'A' and (resid 424 through 457 )AA424 - 457424 - 457
1111chain 'D' and (resid 1 through 5 )DE1 - 5
1212chain 'D' and (resid 6 through 10 )DE6 - 10
1313chain 'D' and (resid 11 through 20 )DE11 - 20
1414chain 'D' and (resid 21 through 22 )DE21 - 22
1515chain 'B' and (resid 1 through 27 )BF1 - 271 - 27
1616chain 'B' and (resid 28 through 52 )BF28 - 5228 - 52
1717chain 'B' and (resid 53 through 80 )BF53 - 8053 - 80
1818chain 'B' and (resid 81 through 124 )BF81 - 12481 - 124
1919chain 'B' and (resid 125 through 198 )BF125 - 198125 - 198
2020chain 'B' and (resid 199 through 346 )BF199 - 346199 - 346
2121chain 'B' and (resid 347 through 381 )BF347 - 381347 - 380
2222chain 'B' and (resid 382 through 423 )BF382 - 423381 - 422
2323chain 'B' and (resid 424 through 457 )BF424 - 457423 - 456
2424chain 'C' and (resid 1 through 5 )CJ1 - 5
2525chain 'C' and (resid 6 through 10 )CJ6 - 10
2626chain 'C' and (resid 11 through 20 )CJ11 - 20
2727chain 'C' and (resid 21 through 22 )CJ21 - 22
2828chain 'E' and (resid 1 through 111 )EK1 - 1111 - 111
2929chain 'E' and (resid 112 through 173 )EK112 - 173112 - 173
3030chain 'E' and (resid 174 through 346 )EK174 - 346174 - 346
3131chain 'E' and (resid 347 through 381 )EK347 - 381347 - 381
3232chain 'E' and (resid 382 through 423 )EK382 - 423382 - 423
3333chain 'E' and (resid 424 through 457 )EK424 - 457424 - 457
3434chain 'G' and (resid 1 through 5 )GO1 - 5
3535chain 'G' and (resid 6 through 21 )GO6 - 21
3636chain 'J' and (resid 2 through 80 )JP2 - 801 - 79
3737chain 'J' and (resid 81 through 111 )JP81 - 11180 - 110
3838chain 'J' and (resid 112 through 148 )JP112 - 148111 - 147
3939chain 'J' and (resid 149 through 173 )JP149 - 173148 - 172
4040chain 'J' and (resid 174 through 198 )JP174 - 198173 - 197
4141chain 'J' and (resid 199 through 239 )JP199 - 239198 - 238
4242chain 'J' and (resid 240 through 346 )JP240 - 346239 - 345
4343chain 'J' and (resid 347 through 381 )JP347 - 381346 - 378
4444chain 'J' and (resid 382 through 423 )JP382 - 423379 - 420
4545chain 'J' and (resid 424 through 456 )JP424 - 456421 - 453
4646chain 'L' and (resid 1 through 5 )LT1 - 5
4747chain 'L' and (resid 6 through 22 )LT6 - 22
4848chain 'I' and (resid 3 through 198 )IU3 - 1981 - 196
4949chain 'I' and (resid 199 through 346 )IU199 - 346197 - 344
5050chain 'I' and (resid 347 through 456 )IU347 - 456345 - 451
5151chain 'K' and (resid 1 through 5 )KY1 - 5
5252chain 'K' and (resid 6 through 10 )KY6 - 10
5353chain 'K' and (resid 11 through 15 )KY11 - 15
5454chain 'K' and (resid 16 through 20 )KY16 - 20
5555chain 'K' and (resid 21 through 22 )KY21 - 22
5656chain 'F' and (resid 2 through 52 )FZ2 - 521 - 51
5757chain 'F' and (resid 53 through 111 )FZ53 - 11152 - 110
5858chain 'F' and (resid 112 through 173 )FZ112 - 173111 - 172
5959chain 'F' and (resid 174 through 227 )FZ174 - 227173 - 226
6060chain 'F' and (resid 228 through 381 )FZ228 - 381227 - 376
6161chain 'F' and (resid 382 through 423 )FZ382 - 423377 - 418
6262chain 'F' and (resid 424 through 456 )FZ424 - 456419 - 451
6363chain 'H' and (resid 1 through 5 )HL2 - 6
6464chain 'H' and (resid 6 through 10 )HL7 - 11
6565chain 'H' and (resid 11 through 20 )HL12 - 21
6666chain 'H' and (resid 21 through 22 )HL22 - 23

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