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- PDB-7lsk: Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-d... -

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Basic information

Entry
Database: PDB / ID: 7lsk
TitleStructure of HIV-1 Reverse Transcriptase in complex with DNA, L-dTTP, and CA(2+) ion
Components
  • (Reverse transcriptase ...) x 2
  • DNA/RNA (38-MER)
KeywordsTRANSFERASE/DNA / Human immunodeficiency virus 1 / Protein/dsDNA / Aptamer / dNTP / TRANSFERASE / TRANSFERASE-DNA complex
Function / homology
Function and homology information


HIV-1 retropepsin / symbiont-mediated activation of host apoptosis / retroviral ribonuclease H / exoribonuclease H / exoribonuclease H activity / host multivesicular body / DNA integration / viral genome integration into host DNA / RNA-directed DNA polymerase / establishment of integrated proviral latency ...HIV-1 retropepsin / symbiont-mediated activation of host apoptosis / retroviral ribonuclease H / exoribonuclease H / exoribonuclease H activity / host multivesicular body / DNA integration / viral genome integration into host DNA / RNA-directed DNA polymerase / establishment of integrated proviral latency / symbiont-mediated suppression of host gene expression / viral penetration into host nucleus / RNA stem-loop binding / RNA-directed DNA polymerase activity / RNA-DNA hybrid ribonuclease activity / Transferases; Transferring phosphorus-containing groups; Nucleotidyltransferases / host cell / viral nucleocapsid / DNA recombination / DNA-directed DNA polymerase / Hydrolases; Acting on ester bonds / aspartic-type endopeptidase activity / DNA-directed DNA polymerase activity / symbiont entry into host cell / viral translational frameshifting / lipid binding / host cell nucleus / host cell plasma membrane / structural molecule activity / virion membrane / proteolysis / DNA binding / zinc ion binding / membrane
Similarity search - Function
Reverse transcriptase connection / Reverse transcriptase connection domain / Reverse transcriptase thumb / Reverse transcriptase thumb domain / Integrase Zinc binding domain / Zinc finger integrase-type profile. / Integrase-like, N-terminal / Integrase DNA binding domain / Integrase, C-terminal domain superfamily, retroviral / Integrase, N-terminal zinc-binding domain ...Reverse transcriptase connection / Reverse transcriptase connection domain / Reverse transcriptase thumb / Reverse transcriptase thumb domain / Integrase Zinc binding domain / Zinc finger integrase-type profile. / Integrase-like, N-terminal / Integrase DNA binding domain / Integrase, C-terminal domain superfamily, retroviral / Integrase, N-terminal zinc-binding domain / Integrase, C-terminal, retroviral / Integrase DNA binding domain profile. / Immunodeficiency lentiviral matrix, N-terminal / gag gene protein p17 (matrix protein) / RNase H / Integrase core domain / Integrase, catalytic core / Integrase catalytic domain profile. / Retropepsin-like catalytic domain / RNase H type-1 domain profile. / Ribonuclease H domain / Matrix protein, lentiviral and alpha-retroviral, N-terminal / Retroviral nucleocapsid Gag protein p24, C-terminal domain / Gag protein p24 C-terminal domain / Reverse transcriptase domain / Reverse transcriptase (RT) catalytic domain profile. / Retropepsins / Retroviral aspartyl protease / Aspartyl protease, retroviral-type family profile. / Peptidase A2A, retrovirus, catalytic / Reverse transcriptase (RNA-dependent DNA polymerase) / Retroviral matrix protein / Retrovirus capsid, C-terminal / Retrovirus capsid, N-terminal / zinc finger / Zinc knuckle / Zinc finger, CCHC-type superfamily / Zinc finger, CCHC-type / Zinc finger CCHC-type profile. / Aspartic peptidase, active site / Eukaryotic and viral aspartyl proteases active site. / Ribonuclease H superfamily / Aspartic peptidase domain superfamily / Ribonuclease H-like superfamily / Reverse transcriptase/Diguanylate cyclase domain / DNA/RNA polymerase superfamily
Similarity search - Domain/homology
AMMONIUM ION / Chem-XRF / DNA / DNA (> 10) / Gag-Pol polyprotein
Similarity search - Component
Biological speciesHuman immunodeficiency virus type 1
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.7 Å
AuthorsHoang, A. / Ruiz, F.X. / Arnold, E.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)R37 AI027690 United States
CitationJournal: Drug Discov Today / Year: 2022
Title: Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Authors: Ruiz, F.X. / Hoang, A. / Dilmore, C.R. / DeStefano, J.J. / Arnold, E.
History
DepositionFeb 18, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 23, 2022Provider: repository / Type: Initial release
Revision 1.1Mar 9, 2022Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _citation_author.name
Revision 1.2Jul 6, 2022Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.title
Revision 1.3Oct 18, 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: Reverse transcriptase p66
B: Reverse transcriptase p51
C: Reverse transcriptase p66
D: Reverse transcriptase p51
F: DNA/RNA (38-MER)
E: DNA/RNA (38-MER)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)253,67219
Polymers251,4386
Non-polymers2,23413
Water4,468248
1
A: Reverse transcriptase p66
B: Reverse transcriptase p51
E: DNA/RNA (38-MER)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)126,88210
Polymers125,7193
Non-polymers1,1637
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: Reverse transcriptase p66
D: Reverse transcriptase p51
F: DNA/RNA (38-MER)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)126,7909
Polymers125,7193
Non-polymers1,0716
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)89.942, 132.467, 139.342
Angle α, β, γ (deg.)90.000, 97.597, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1chain "A"
d_2ens_1chain "C"
d_1ens_2chain "B"
d_2ens_2chain "D"
d_1ens_3chain "E"
d_2ens_3chain "F"

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1PROALAA1 - 554
d_21ens_1PROALAC1 - 554
d_11ens_2PROGLNB1 - 412
d_21ens_2PROGLND1 - 412
d_11ens_3DTDGT
d_21ens_3DTDGE

NCS ensembles :
ID
ens_1
ens_2
ens_3

NCS oper:
IDCodeMatrixVector
1given(0.751715728584, -0.649944498195, -0.111783776392), (0.601050190965, 0.605435767197, 0.521714672728), (-0.271407684747, -0.45936878547, 0.845764853606)25.3705270091, -160.802999279, 2.74992500314
2given(0.763648010915, -0.638341080936, -0.0967593913546), (0.583120556228, 0.617586183279, 0.527785679161), (-0.277150017735, -0.459464874187, 0.843848266608)22.3742616498, -161.79683293, 3.39977873759
3given(0.737607582331, -0.666772976225, -0.106530993912), (0.613019260864, 0.595117314122, 0.519656394401), (-0.283094401741, -0.448608047864, 0.847707720322)24.9962491081, -160.169254121, 2.14924919138

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Components

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Reverse transcriptase ... , 2 types, 4 molecules ACBD

#1: Protein Reverse transcriptase p66


Mass: 63874.133 Da / Num. of mol.: 2 / Mutation: C280S, D498N
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human immunodeficiency virus type 1 / Production host: Escherichia coli (E. coli)
References: UniProt: P03366, RNA-directed DNA polymerase, DNA-directed DNA polymerase, retroviral ribonuclease H
#2: Protein Reverse transcriptase p51


Mass: 50096.539 Da / Num. of mol.: 2 / Mutation: C280S
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human immunodeficiency virus type 1 / Production host: Escherichia coli (E. coli) / References: UniProt: P03366

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DNA chain / Sugars , 2 types, 4 molecules FE

#3: DNA chain DNA/RNA (38-MER)


Mass: 11748.526 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#4: Polysaccharide beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose


Type: oligosaccharide / Mass: 342.297 Da / Num. of mol.: 2 / Source method: obtained synthetically
DescriptorTypeProgram
DFrufb2-1DGlcpaGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,2,1/[ha122h-2b_2-5][a2122h-1a_1-5]/1-2/a2-b1WURCSPDB2Glycan 1.1.0
[][<C6O5>]{[(1+1)][a-D-Glcp]{}}LINUCSPDB-CARE

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Non-polymers , 6 types, 259 molecules

#5: Chemical ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Ca
#6: Chemical ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO4
#7: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C3H8O3
#8: Chemical ChemComp-XRF / 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione


Mass: 482.168 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C10H17N2O14P3 / Feature type: SUBJECT OF INVESTIGATION
#9: Chemical ChemComp-NH4 / AMMONIUM ION


Mass: 18.038 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: H4N
#10: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 248 / 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: 3.17 Å3/Da / Density % sol: 62.41 %
Crystal growTemperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7.2
Details: 10-12% PEG 8000, 50 MM BISTRIS-PROPANE PH 7.2, 50 MM AMMONIUM SULFATE, 5% GLYCEROL, 5% SUCROSE

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.033 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Jul 11, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.033 Å / Relative weight: 1
ReflectionResolution: 2.7→70.76 Å / Num. obs: 88920 / % possible obs: 100 % / Redundancy: 25.9 % / Biso Wilson estimate: 63.65 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.337 / Rpim(I) all: 0.067 / Rrim(I) all: 0.343 / Net I/σ(I): 9.7
Reflection shellResolution: 2.7→2.75 Å / Redundancy: 25.4 % / Rmerge(I) obs: 3.782 / Mean I/σ(I) obs: 1.5 / Num. unique obs: 4541 / CC1/2: 0.365 / Rpim(I) all: 0.762 / Rrim(I) all: 3.858 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX1.18.2_3874refinement
MOSFLMdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5D3G

5d3g


Resolution: 2.7→70.76 Å / SU ML: 0.397 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 27.6699
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2531 1999 2.25 %
Rwork0.2155 86867 -
obs0.2163 88866 99.97 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 97.53 Å2
Refinement stepCycle: LAST / Resolution: 2.7→70.76 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms15820 1440 136 248 17644
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003117991
X-RAY DIFFRACTIONf_angle_d0.621124755
X-RAY DIFFRACTIONf_chiral_restr0.04432700
X-RAY DIFFRACTIONf_plane_restr0.00352872
X-RAY DIFFRACTIONf_dihedral_angle_d17.06846912
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.545661725308
ens_2d_2BX-RAY DIFFRACTIONTorsion NCS0.582089507551
ens_3d_2EX-RAY DIFFRACTIONTorsion NCS0.547592888097
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.7-2.770.40621410.36666154X-RAY DIFFRACTION99.98
2.77-2.840.40141430.34086186X-RAY DIFFRACTION99.95
2.84-2.930.33621430.3066180X-RAY DIFFRACTION100
2.93-3.020.31681430.28476202X-RAY DIFFRACTION99.94
3.02-3.130.30891410.26696158X-RAY DIFFRACTION99.92
3.13-3.250.29761430.25656221X-RAY DIFFRACTION99.98
3.25-3.40.26521420.23936169X-RAY DIFFRACTION100
3.4-3.580.22191430.22066209X-RAY DIFFRACTION100
3.58-3.810.27991420.20656187X-RAY DIFFRACTION100
3.81-4.10.23341440.19726224X-RAY DIFFRACTION100
4.1-4.510.21531420.17416189X-RAY DIFFRACTION100
4.51-5.160.22121430.18126220X-RAY DIFFRACTION100
5.16-6.510.24291440.21086240X-RAY DIFFRACTION100
6.51-70.760.22051450.18696328X-RAY DIFFRACTION99.83
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)
11.23530746217-0.4886225001890.06464030693051.16424887676-0.2611681706521.5788479667-0.02474789914310.6739133006240.891857274326-1.13038288699-0.0253177285640.024557212628-0.5296149711040.07127117773810.0933446325371.59313750436-0.44434571659-0.1112270955771.150808287710.1975926465030.94529903729313.809363453225.4557167951162.929104005
21.837494405840.0192588467199-0.6956969003662.300409633390.04596986436482.23946722683-0.1701742918990.4446208050050.946871794713-0.6450065007160.332714094774-0.269058904292-0.6952030681540.243623572401-0.1328414040991.04752359474-0.35243682727-0.02953319869080.671326684673-0.04183450832280.83981536549717.736924894826.8798225812183.469635758
33.281213970351.10936220215-1.35935028881.31542001688-0.7361623772121.90472934256-0.107344540806-0.2210660026830.25400577104-0.006876863632170.2380135126260.0262823141287-0.3810080033570.00776432594728-0.04563274175780.362137716261-0.00911087926209-0.08976748847150.462964735729-0.2453879266620.560586377428-2.336556494417.68432138077208.09404426
43.29109060676-0.7482354679480.04812986173744.295993884180.2535105252853.5295873442-0.143370801461-0.152667155276-0.392013178404-0.352312458994-0.03680667526090.5542923875530.301384170679-0.9177173403130.09061107750810.340697922379-0.0314584297863-0.01079820633240.618212942466-0.1085220703220.753503886825-20.0341166329-5.54847915752212.523401314
52.30952912033-0.1191551683870.3429838902032.7599523438-0.8056803412883.21406122024-0.2892648856110.2958567244280.0203171654091-0.7770390546210.332244346071-0.541067484056-0.08520405093020.77359273114-0.07451404377360.691147400086-0.2866706010190.09902442710780.823238312528-0.3196837377080.67978079643523.2729544285-2.43365776911179.459025786
60.4265430578160.492972156468-0.473560969291.85035078915-0.1454057813910.54611691033-0.3632764655570.137897961712-0.606537837923-1.110313783520.536388243197-0.4100958407980.5928642977510.437585666656-0.2414176796740.840120472147-0.215515416052-0.007817124824310.67686650056-0.3977639301620.83618077660714.7482190336-18.1068921599179.548822321
71.322617538470.4896107277590.1567617507132.773729491560.1412220095331.29711352416-0.369706176130.158012408218-0.544644542252-0.9240093537740.710431474868-0.9901485998860.1426170374570.92401529649-0.2359411851450.706375414867-0.06238385216190.222346931930.994363868209-0.4009951125270.99964468221426.288361231-17.4387453627180.5248297
83.34968581915-2.08813071996-1.510660984112.487116951012.105602461631.84639912106-0.472765371227-0.361101595966-0.4911219742160.04041142069390.475519397522-0.2918184550930.2659288888470.651689884623-0.06391163395530.5880936727190.262505138689-0.1408517495851.04796188383-0.1138482324781.0020183695212.7978756836-25.3956016876200.961028068
91.08247085149-1.05765765977-1.078067838831.343130200770.8008814999782.98432342515-0.5676273621370.0568825424201-0.6165100614710.1252309496450.1789328010510.123311498380.649317370908-0.06168021558140.3499719219210.42475445509-0.008955119836420.06984896738070.418508417635-0.1835631992860.742252585715-3.32958639224-22.6882877537203.424682552
102.811427510610.2963743098540.8730958343244.025696186251.431073633812.13328231075-0.169915304544-0.2753153089720.0132317628039-0.00635222701650.0311422295940.493686489920.118177496126-0.3962079758930.1135653245640.365551163081-0.091471085763-0.03305852696180.589033687305-0.2185808791370.6512638786946.64961322008-9.23181890075195.683031235
110.8455963683460.809905806626-0.03529055581961.64176018851-0.7995265569071.95342412441-0.02337666445360.98785046965-0.108684340209-0.8367294803740.2288403342240.647453520548-0.000123156154164-0.474031272494-0.1671739053771.951902706310.307718909127-0.294919753451.32999337117-0.1375574520140.800904840279-1.72124368791-54.6415255637122.39766427
121.645716644140.0273884842656-0.7520589985441.51589074918-1.040063205022.979745478730.2534605026030.2393183095320.121530025499-0.57215456891-0.1019315252440.115394895733-0.0967019639762-0.18878396198-0.1318426701620.5463102468050.0809072877324-0.07827949637820.392057699283-0.129963475940.471559437082-2.114040011-46.6641038878159.624189648
133.13001988472-1.06438642994-0.541180883624.668784799740.7665249820041.957775288080.1653537141070.530905322183-0.138422620946-0.947040662759-0.338311069542-0.4936066570050.4731922451470.916034299550.01135993067550.9033156230830.26214817580.2121931465280.8291738980750.03157960689350.60863038085224.1980578817-55.2147213234149.112758937
141.01991251491-0.3206156691580.1148428751831.23560698982-0.2630043564760.9735552273840.2936729720270.0713124358227-0.0840093278312-0.60182098033-0.622972941084-0.7367337325010.5406737926691.311856262940.2114999221160.9533633681830.4845984798650.3761545662361.59934217630.2218304176190.99486618246534.3174593464-63.5796836612157.052398369
152.847592926580.350728935231-1.878433774121.09636913496-0.09925034981.1642096353-0.4436056018920.246930332864-0.151492175346-0.53377132840.0913819978737-0.356972567810.7490562404040.695954865890.2766679614570.395777099801-0.057600056804-0.01446239279821.24566559330.1768474951630.97402154813126.6384829804-64.2718068353184.154250264
161.81668006156-0.590419203686-0.2079159091022.69829185048-1.435196861234.351929943950.0747732388236-0.231269305268-0.568680468484-0.28400032199-0.382550088428-0.1108770471780.3441612156480.1659717011080.3195716258450.2498108915870.00210342535204-0.0840587339860.6616589597060.02850244728890.60962422703813.0211562328-71.9828241644188.958183942
173.87889793402-1.647665565390.629510366845.48093627372-0.8469639608473.36473188944-0.0120459853571-0.399836683931-0.186113398507-0.109701775072-0.231280467780.1591514944620.443866260810.6382675296410.1884524723630.4133526550310.1210958989960.02876870148980.6938545462160.0009633302164450.48181625625917.1326516427-60.6644714577171.434496864
182.70134751051.45505447124-0.8022272037162.345552705692.122871844715.504763484530.4620815941240.5255891287951.25551554437-1.297183100370.5680447268060.681409568053-0.974669404816-0.0531492052793-0.9375110441581.3708016499-0.290470947596-0.0158521696680.9404008151570.1926303593320.9282705668527.0308249711621.1844170368175.891882033
195.058751793413.981161471661.567808862456.57830419582.45059688291.08560787971-0.8495908508570.5943691747920.220389951668-0.8697269029220.01582616929561.116861817570.839917215424-0.2773443070960.7816090210951.18244029854-0.310812154048-0.03119869776941.14172225724-0.07854564963870.907585389339-8.509714320637.43998154763187.457725489
205.13150780045-0.0473266679692-4.310305987622.60792257562.781513303076.48636148848-0.201136063537-0.194600269979-1.74338987627-0.478745350781-0.08275628004260.194357027041.49632048381-0.4157877160360.1801609925121.06851537407-0.2809431216120.001380525023961.04805339449-0.1565999007071.02582049826-18.3151626736-4.05081798765193.674421544
212.246401228082.83455055307-0.7723949012274.40721935987-0.6024555229591.15226696323-0.5350443993550.0725943070294-0.0599815738618-1.747064905480.2353072888150.1858608170070.0497543349588-0.2624852538580.261317947120.996686681153-0.277348258714-0.08479914722930.8637914157560.04955901565121.015153696090.30180690656716.308126242184.879906382
221.94951186139-0.0222002293705-0.4851969755622.969959241610.6931838810551.489674865360.156768903591.13780888759-0.210422466424-1.19246905171-0.1660607901050.9640247870230.934746168651-0.718153433714-0.0477226875881.273994344090.00574324850485-0.2507655152140.975296911496-0.1580291744870.875618695507-5.80404537533-53.3665173455146.925942495
234.778122873650.0735645660344-5.708830544752.36895788327-0.9749761369747.17050308609-0.415606300763-0.844789205292-0.867835509069-1.16287487544-0.511831258749-0.6614528002640.7822628569191.622946549590.9090112080180.972931854140.06912223785710.05168139974561.0772510801-0.04436212521571.02652280862-4.43508693735-72.1378679184168.032595359
241.30125621238-1.103240327-0.1166295613834.90647215808-2.513161910413.982213940910.5132658896640.508210272245-0.36603723556-1.4804629953-0.9076288535750.6923623439931.297884610810.3612926589880.3512305988471.1841385040.04262288126930.0136972299380.834112276009-0.07349966185860.753685408122-5.31478196634-54.1427297041151.42093248
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 143 )AA1 - 1431 - 143
22chain 'A' and (resid 144 through 296 )AA144 - 296144 - 296
33chain 'A' and (resid 297 through 515 )AA297 - 515297 - 515
44chain 'A' and (resid 516 through 554 )AA516 - 554516 - 554
55chain 'B' and (resid 4 through 71 )BB4 - 711 - 68
66chain 'B' and (resid 72 through 104 )BB72 - 10469 - 101
77chain 'B' and (resid 105 through 210 )BB105 - 210102 - 207
88chain 'B' and (resid 211 through 253 )BB211 - 253208 - 237
99chain 'B' and (resid 254 through 383 )BB254 - 383238 - 367
1010chain 'B' and (resid 384 through 428 )BB384 - 428368 - 412
1111chain 'C' and (resid 1 through 83 )CC1 - 831 - 83
1212chain 'C' and (resid 84 through 554 )CC84 - 55484 - 554
1313chain 'D' and (resid 4 through 70 )DD4 - 701 - 67
1414chain 'D' and (resid 71 through 212 )DD71 - 21268 - 209
1515chain 'D' and (resid 213 through 253 )DD213 - 253210 - 237
1616chain 'D' and (resid 254 through 363 )DD254 - 363238 - 347
1717chain 'D' and (resid 364 through 428 )DD364 - 428348 - 412
1818chain 'E' and (resid 0 through 6 )ET0 - 6
1919chain 'E' and (resid 7 through 16 )ET7 - 16
2020chain 'E' and (resid 17 through 21 )ET17 - 21
2121chain 'E' and (resid 22 through 34 )ET22 - 34
2222chain 'F' and (resid 0 through 11 )FE0 - 11
2323chain 'F' and (resid 12 through 21 )FE12 - 21
2424chain 'F' and (resid 22 through 34 )FE22 - 34

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