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- PDB-6amo: STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WIT... -

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Basic information

Entry
Database: PDB / ID: 6amo
TitleSTRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 7.0
Components
  • (HIV-1 REVERSE TRANSCRIPTASE ...Reverse transcriptase) x 2
  • DNA (27-MER)
  • DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3')
Keywordstransferase/dna / TERNARY N SITE COMPLEX / D4T (STAVUDINE) / DNA TEMPLATE/PRIMER / CROSSLINK / VIRAL PROTEIN / viral protein-dna complex / transferase-dna complex
Function / homology
Function and homology information


HIV-1 retropepsin / : / retroviral ribonuclease H / exoribonuclease H / : / exoribonuclease H activity / host multivesicular body / DNA integration / RNA-directed DNA polymerase / viral genome integration into host DNA ...HIV-1 retropepsin / : / retroviral ribonuclease H / exoribonuclease H / : / exoribonuclease H activity / host multivesicular body / DNA integration / RNA-directed DNA polymerase / viral genome integration into host DNA / viral penetration into host nucleus / establishment of integrated proviral latency / RNA-directed DNA polymerase activity / Transferases; Transferring phosphorus-containing groups; Nucleotidyltransferases / RNA-DNA hybrid ribonuclease activity / viral nucleocapsid / DNA recombination / Hydrolases; Acting on ester bonds / DNA-directed DNA polymerase / aspartic-type endopeptidase activity / DNA-directed DNA polymerase activity / symbiont entry into host cell / symbiont-mediated suppression of host gene expression / lipid binding / host cell nucleus / structural molecule activity / host cell plasma membrane / virion membrane / proteolysis / DNA binding / RNA binding / zinc ion binding / membrane
Similarity search - Function
HIV Type 1 Reverse Transcriptase, subunit A, domain 1 / HIV Type 1 Reverse Transcriptase; Chain A, domain 1 / Reverse transcriptase/Diguanylate cyclase domain / Ribonuclease H-like superfamily/Ribonuclease H / Reverse transcriptase connection / Reverse transcriptase connection domain / Reverse transcriptase thumb / Reverse transcriptase thumb domain / Integrase Zinc binding domain / Zinc finger integrase-type profile. ...HIV Type 1 Reverse Transcriptase, subunit A, domain 1 / HIV Type 1 Reverse Transcriptase; Chain A, domain 1 / Reverse transcriptase/Diguanylate cyclase domain / Ribonuclease H-like superfamily/Ribonuclease H / 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. / Retroviral nucleocapsid Gag protein p24, C-terminal domain / Gag protein p24 C-terminal domain / Retropepsin-like catalytic domain / Matrix protein, lentiviral and alpha-retroviral, N-terminal / Ribonuclease H domain / RNase H type-1 domain profile. / Reverse transcriptase (RNA-dependent DNA polymerase) / Reverse transcriptase domain / Reverse transcriptase (RT) catalytic domain profile. / Retropepsins / Retroviral aspartyl protease / Aspartyl protease, retroviral-type family profile. / Peptidase A2A, retrovirus, catalytic / Retrovirus capsid, C-terminal / Retroviral matrix protein / Retrovirus capsid, N-terminal / zinc finger / Zinc knuckle / Zinc finger, CCHC-type superfamily / Zinc finger, CCHC-type / Zinc finger CCHC-type profile. / Nucleotidyltransferase; domain 5 / Ribonuclease H superfamily / Aspartic peptidase, active site / Eukaryotic and viral aspartyl proteases active site. / Aspartic peptidase domain superfamily / Ribonuclease H-like superfamily / Reverse transcriptase/Diguanylate cyclase domain / Alpha-Beta Plaits / Roll / DNA/RNA polymerase superfamily / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Chem-D4T / DNA / DNA (> 10) / Gag-Pol polyprotein
Similarity search - Component
Biological speciesHuman immunodeficiency virus type 1 group M subtype B
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.497 Å
AuthorsMartinez, S.E. / Das, K. / Arnold, E.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)R37 A1027690 United States
CitationJournal: Protein Sci. / Year: 2019
Title: Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Authors: Martinez, S.E. / Bauman, J.D. / Das, K. / Arnold, E.
History
DepositionAug 10, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 15, 2018Provider: repository / Type: Initial release
Revision 1.1Dec 19, 2018Group: Data collection / Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Feb 20, 2019Group: Data collection / Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.title / _citation.year / _citation_author.identifier_ORCID
Revision 1.3Dec 11, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.4Oct 4, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn / struct_conn_type
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _struct_conn_type.id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT
B: HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT
T: DNA (27-MER)
P: DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3')
C: HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT
D: HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT
E: DNA (27-MER)
F: DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)263,71027
Polymers261,4878
Non-polymers2,22319
Water11,764653
1
A: HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT
B: HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT
T: DNA (27-MER)
P: DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)131,80913
Polymers130,7444
Non-polymers1,0659
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area15370 Å2
ΔGint-58 kcal/mol
Surface area47650 Å2
MethodPISA
2
C: HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT
D: HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT
E: DNA (27-MER)
F: DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)131,90114
Polymers130,7444
Non-polymers1,15710
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area15340 Å2
ΔGint-65 kcal/mol
Surface area48150 Å2
MethodPISA
Unit cell
Length a, b, c (Å)90.020, 132.674, 139.392
Angle α, β, γ (deg.)90.000, 98.400, 90.000
Int Tables number4
Space group name H-MP1211

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Components

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HIV-1 REVERSE TRANSCRIPTASE ... , 2 types, 4 molecules ACBD

#1: Protein HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT / Pr160Gag-Pol


Mass: 64038.367 Da / Num. of mol.: 2 / Mutation: I63C, C280S
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human immunodeficiency virus type 1 group M subtype B (isolate BH10)
Strain: isolate BH10 / Gene: gag-pol / Plasmid: pCDF-2 Ek/LIC / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): BL21 CodonPlus RIL
References: UniProt: P03366, RNA-directed DNA polymerase, DNA-directed DNA polymerase
#2: Protein HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT / Pr160Gag-Pol


Mass: 51928.629 Da / Num. of mol.: 2 / Mutation: C879S
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human immunodeficiency virus type 1 group M subtype B (isolate BH10)
Strain: isolate BH10 / Gene: gag-pol / Plasmid: pCDF-2 Ek/LIC / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / Variant (production host): BL21 CodonPlus RIL
References: UniProt: P03366, RNA-directed DNA polymerase, DNA-directed DNA polymerase

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DNA chain , 2 types, 4 molecules TEPF

#3: DNA chain DNA (27-MER) / DNA TEMPLATE FROM PRIMER BINDING SEQUENCE OF HIV-1 GENOME


Mass: 8376.399 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#4: DNA chain DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3') / DNA SEQUENCE FROM tRNA LYS3 THAT BINDS TO PRIMER BINDING SEQUENCE (PBS) OF HIV-1 GENOME


Mass: 6400.123 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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Non-polymers , 4 types, 672 molecules

#5: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#6: Chemical ChemComp-D4T / 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE


Mass: 464.153 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C10H15N2O13P3
#7: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 13 / Source method: obtained synthetically / Formula: C3H8O3
#8: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 653 / Source method: isolated from a natural source / Formula: H2O

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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: 3.15 Å3/Da / Density % sol: 60.94 % / Description: PARALLELOGRAMS
Crystal growTemperature: 277 K / Method: vapor diffusion, sitting drop / pH: 9.5
Details: PEG 8000, NaCl, CHES (N-Cyclohexyl-2-aminoethanesulfonic acid), TRIS (tris(hydroxymethyl)aminomethane), MgCl2, d4T triphosphate
PH range: 9.5 - 10.5

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: CHESS / Beamline: F1 / Wavelength: 0.9177 Å
DetectorType: ADSC QUANTUM 270 / Detector: CCD / Date: Jul 10, 2010
Details: 100White beam collimating mirror, horizontally focusing monochromator using single bent triangular Si(111) crystal, vertically focusing Rh-coated Si mirror
RadiationMonochromator: SI (111) SILICON CRYSTAL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9177 Å / Relative weight: 1
ReflectionResolution: 2.497→50 Å / Num. obs: 111018 / % possible obs: 99.2 % / Observed criterion σ(I): -1 / Redundancy: 6.4 % / Biso Wilson estimate: 56.66 Å2 / Rmerge(I) obs: 0.077 / Χ2: 1.075 / Net I/av σ(I): 21.47 / Net I/σ(I): 11.2
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. unique obsΧ2% possible all
2.5-2.5950.7221.9108530.94897.9
2.59-2.695.40.612.5110001.01298.7
2.69-2.825.60.4822.5111061.05499.1
2.82-2.965.90.3574.7110311.13999.3
2.96-3.156.20.247.7111431.20299.5
3.15-3.396.60.14713.2111501.19299.8
3.39-3.737.10.09222.6111901.19399.9
3.73-4.277.30.06132.4111811.111100
4.27-5.387.40.04738112510.971100
5.38-507.30.0437.1111130.90897.6

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Phasing

PhasingMethod: molecular replacement
Phasing MR
Highest resolutionLowest resolution
Rotation8.69 Å43.52 Å
Translation8.69 Å43.52 Å

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Processing

Software
NameVersionClassification
HKL-2000data reduction
HKL-2000data scaling
PHASER2.5.6phasing
PHENIX1.11.1 2575refinement
PDB_EXTRACT3.22data extraction
Coot0.8.8model building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDBID 4PQU

4pqu


Resolution: 2.497→43.518 Å / SU ML: 0.31 / Cross valid method: FREE R-VALUE / σ(F): 1.38 / Phase error: 22.5
RfactorNum. reflection% reflection
Rfree0.2173 1970 1.78 %
Rwork0.1808 --
obs0.1814 110980 98.79 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 320.99 Å2 / Biso mean: 93.9048 Å2 / Biso min: 20.99 Å2
Refinement stepCycle: final / Resolution: 2.497→43.518 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms15778 1716 138 653 18285
Biso mean--99.97 66.62 -
Num. residues----2008
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00518275
X-RAY DIFFRACTIONf_angle_d0.43925134
X-RAY DIFFRACTIONf_chiral_restr0.0392722
X-RAY DIFFRACTIONf_plane_restr0.0032859
X-RAY DIFFRACTIONf_dihedral_angle_d13.70610629
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 14

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.4967-2.55910.28091250.26767201732692
2.5591-2.62830.34721410.27557764790599
2.6283-2.70560.34351390.2637761790099
2.7056-2.79290.30241410.25477782792399
2.7929-2.89270.25661410.23037780792199
2.8927-3.00850.2521420.21527837797999
3.0085-3.14540.24431400.21578077947100
3.1454-3.31120.22311430.205878427985100
3.3112-3.51860.2491420.184578748016100
3.5186-3.79010.20731440.174478938037100
3.7901-4.17120.18991420.15778588000100
4.1712-4.77410.17611430.144679198062100
4.7741-6.01240.20421430.15979358078100
6.0124-43.52510.18821440.16127757790197
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)
1-0.04270.1115-0.01650.5998-0.33680.1590.0570.04940.3111-0.36090.23330.4793-0.407-0.4251-0.00011.4735-0.1999-0.0650.9070.14990.775231.419221.25722.6822
20.84030.1452-0.24650.7059-0.57131.40940.07070.17450.6972-0.52660.24960.1458-0.82260.17480.36761.1736-0.25070.04240.54850.03420.839635.517223.470743.5989
34.02041.3463-1.36541.2066-0.42221.4073-0.0303-0.03030.183-0.04710.10670.1945-0.2141-0.12380.06680.31310.0363-0.07720.3088-0.12380.410611.1896-0.056171.0229
40.8423-0.0484-0.49591.18-0.39020.4356-0.22890.5844-0.064-0.6365-0.03320.40750.00510.0664-0.0010.8708-0.2204-0.01810.8598-0.16870.534334.2178-8.792734.4062
50.2437-0.172-0.17610.4405-0.06730.321-0.1094-0.3441-0.1070.04420.2692-1.21940.04411.25880.00620.71-0.23590.18510.8929-0.23060.809349.4709-1.995846.2183
61.7880.8542-1.19171.0602-0.12351.5682-0.2290.2522-0.1632-0.58780.2976-0.4168-0.19990.60030.00460.6457-0.21470.06490.5923-0.17260.588639.8977-7.390542.8335
70.0067-0.0094-0.01980.01330.0310.06210.056-0.6648-0.89470.05750.1427-0.1503-0.02-0.2275-0.00031.5727-0.2807-0.06341.4143-0.16261.104730.2736-22.102332.8479
80.3946-0.15260.2920.70260.43770.6748-0.1610.2977-0.351-0.13660.3832-0.5795-0.23990.39650.00030.79190.02850.13180.8102-0.26180.942740.5023-28.255646.9243
90.9045-0.75040.29870.8746-0.62550.6304-0.21510.5228-0.1705-0.95170.6717-0.4758-0.52460.69540.07570.8307-0.31910.20090.7262-0.24260.531441.3207-4.076436.4095
100.8646-0.60520.27490.7151-0.67940.89640.26820.4774-0.9962-1.2948-0.06910.46330.86530.75890.01320.9474-0.01290.28170.8897-0.41711.124245.0549-30.139437.4996
111.2339-0.64460.31991.7520.32360.9449-0.07680.07610.0513-0.41680.0972-1.87820.24890.62980.18380.60690.15370.05790.5999-0.2050.972941.565-32.121148.2289
120.5305-0.32260.37155.21755.55896.94590.2010.41780.8918-0.5720.5801-2.0096-0.89521.31720.06980.40910.3362-0.06181.4627-0.48331.719552.7785-31.518949.5601
131.1864-0.898-1.45560.54080.98571.3696-0.3471-0.4011-0.06780.02660.1872-0.05740.3430.41180.00220.52140.11330.04670.6975-0.02910.845120.9072-26.61167.0703
141.03630.6993-0.35741.334-0.5591.8471-0.8221-0.0904-0.80430.29370.13020.3871.5718-0.052-0.03860.72490.00070.16410.403-0.05330.86513.8433-32.55871.0233
150.69390.98140.29311.99561.77171.9363-0.104-0.2322-0.14430.0261-0.0553-0.13250.2929-0.0415-0.2080.3277-0.0386-0.01540.3311-0.13520.471624.9232-20.031658.2041
161.222-0.68410.62561.43581.14782.3465-0.5179-0.1397-0.3925-0.20710.05040.37190.216-0.337-0.03550.4145-0.07310.00320.5275-0.15030.649325.1413-11.582858.3525
170.12260.0052-0.09720.6805-0.36960.23990.52670.4518-0.0137-0.1547-0.16150.0343-0.5996-0.286501.68890.20660.05610.861-0.05940.613722.5541-62.902-14.2227
180.14720.1129-0.14260.1222-0.08220.1048-0.18660.4541-0.2086-0.58180.48540.49550.6388-0.6196-0.00012.0298-0.0018-0.21761.46820.03390.843513.739-55.2103-17.215
190.59730.071-0.83230.0506-0.08241.06920.41110.60270.2898-0.4319-0.2194-0.096-0.2422-0.15680.00481.48630.25540.05970.76830.05090.526226.4316-45.8117-0.5689
200.64850.75090.77430.84520.8820.91710.23440.4993-0.18050.4036-0.3314-0.2030.9756-0.4797-1.10662.145-0.0872-0.00921.8463-0.07860.495416.8458-60.2679-20.1856
211.8605-1.26490.81830.848-0.54140.36720.65010.82670.0192-0.7506-0.2805-0.2705-0.17480.06480.68481.48040.14140.32670.73870.06910.426232.603-41.5819-1.2782
221.2202-0.8139-0.57641.2436-0.16012.56790.36830.55730.3086-0.8166-0.06270.5708-0.4767-0.8554-0.11511.28590.1896-0.07240.92060.08140.81611.1563-39.8117.9426
231.1558-1.1073-0.442.1445-0.44083.41110.37660.29380.4605-0.6455-0.10240.2997-0.3879-0.24960.040.6452-0.0056-0.020.2541-0.04130.434218.255-41.275325.4757
241.5751-0.1158-0.51522.2681-0.22691.15560.0382-0.2917-0.0143-0.1497-0.0457-0.3333-0.3010.5255-0.07190.516-0.0630.02060.3684-0.15510.48523.7049-45.182237.4037
251.78060.7066-0.3931.4783-1.24191.2526-0.0603-0.332-0.1769-0.2290.20490.12280.014-0.27770.00990.315-0.0888-0.0880.61840.02210.50324.5899-67.390251.6653
262.34350.43190.00322.3384-0.43532.3359-0.0624-0.2116-0.2024-0.10850.14750.18310.1091-0.3671-0.00010.2442-0.0489-0.07060.44810.0020.42967.1513-66.130349.8619
271.47770.47870.47171.0352-0.1960.44290.06510.0433-0.107-0.6842-0.18-0.48120.47560.9882-0.09211.03580.18080.25480.7570.01060.556741.2939-59.766312.1109
280.7232-0.15460.89870.8105-1.16352.3157-0.0576-0.1687-1.1265-0.81410.0074-0.63391.58821.1257-0.02661.32120.47950.29941.31720.03730.853549.4254-78.107624.1846
290.69830.6443-0.13721.7742-0.00111.84430.34130.18190.1721-0.8899-0.6842-1.14480.50731.5739-1.63360.98060.40250.47731.43550.23150.775153.8145-65.614518.4042
300.96530.0118-1.3843-0.0581-0.10261.8965-0.44110.4681-0.2326-0.3229-0.1322-0.32040.85820.5335-0.11130.54260.12480.0921.18340.12370.799441.1597-69.192450.9196
311.418-1.14540.81791.1848-0.25490.984-0.0592-0.3143-0.4126-0.04470.09280.20150.228-0.10590.00010.3177-0.0299-0.02580.56540.1120.525321.4157-77.442860.1841
320.7524-0.77641.01750.7326-1.02211.35770.13920.2888-0.4031-0.5602-0.2551-0.6760.88950.34710.04340.57930.05530.05190.61740.04730.761934.6075-83.592755.9984
331.3482-0.75130.1182.63710.46783.60910.01480.03470.1141-0.404-0.3152-0.2570.25070.7985-0.02070.49370.10430.05010.5785-0.02550.393235.9172-66.173934.1593
342.2430.66231.38410.50690.59870.9788-1.194-0.56091.78090.0838-0.6040.53690.33960.139-0.07851.541-0.20780.07441.26120.16921.209126.7414-67.990547.5821
350.002-0.01540.01950.0169-0.03180.0465-0.00150.86190.3651-0.2476-0.13521.0782-0.28090.67050.0011.7408-0.2372-0.21341.07170.34691.344125.604619.399434.1038
360.1512-0.11180.0080.0706-0.0079-0.0034-0.15830.25440.5858-0.68280.54620.7766-1.05110.36240.00051.0426-0.0323-0.06530.79240.13190.935721.014314.009650.1661
370.3320.15830.2060.5973-0.63841.1831-0.76350.25570.0311-3.0910.51080.38941.8344-0.0779-0.0121.5397-0.3378-0.02861.338-0.09141.52154.1908-4.038550.1043
380.03350.020.02950.01990.02520.0302-0.145-0.0836-0.3178-0.753-0.4545-0.38610.0688-0.43060.00031.7566-0.8059-0.30172.5168-0.35522.3748-12.5656-15.556851.9038
390.7197-0.0445-0.40610.00290.02570.2250.30831.1513-0.716-0.55960.4038-0.65270.3218-0.73260.01871.7151-0.3807-0.30571.7763-0.31070.961-5.1363-14.103347.206
400.6615-0.31010.79140.5907-0.82531.2848-0.6760.73850.4272-1.20580.1878-0.0572-0.3691-0.069501.1746-0.2908-0.03921.06690.13190.939910.68944.335748.8848
410.0646-0.02820.02620.1299-0.06040.0804-0.08480.32630.2552-1.99230.62950.3805-0.14190.272-01.3856-0.13150.01381.02250.22141.285425.174223.023945.4483
420.0850.0710.11930.04990.09820.1593-0.42791.2411-0.5265-0.08640.44281.2986-0.232-1.35680.00021.9436-0.0187-0.19041.49780.00390.994113.889-55.5894-1.6345
430.0878-0.0121-0.0340.16840.0540.02550.266-0.0555-0.0936-1.58820.03110.42561.26370.08820.00131.2618-0.1328-0.12790.86350.04960.869112.6066-53.287515.6056
440.0538-0.02750.01850.0850.06730.0869-0.20310.8382-0.0909-0.70360.54110.31121.44260.33040.00081.9018-0.07930.01921.2248-0.03951.61439.5217-70.213919.8242
450.08920.0211-0.05860.07950.12190.2471.8646-0.1682-0.4752-0.270.114-1.7431.29441.0690.03221.3634-0.21880.07391.29120.27371.640815.0121-78.117536.4041
460.01660.007-0.01520.0214-0.00350.0125-0.03150.03870.02250.0984-0.90080.18220.41510.57350.00022.3267-0.56980.15441.62780.0382.89087.0514-90.377239.6595
470.0481-0.05470.02840.0557-0.02970.017-0.5510.8172-0.20260.18710.1393-0.32430.34670.10520.00022.1199-0.2080.26381.1637-0.36821.727612.4185-87.474832.9339
480.6725-0.9081-0.03871.2993-0.21410.24510.12530.5693-0.1664-1.7089-0.3264-0.08091.1419-0.19250.0021.4261-0.202-0.09190.99050.01660.693411.2754-60.847417.2531
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid -1 through 96 )A-1 - 96
2X-RAY DIFFRACTION2chain 'A' and (resid 97 through 325 )A97 - 325
3X-RAY DIFFRACTION3chain 'A' and (resid 326 through 553 )A326 - 553
4X-RAY DIFFRACTION4chain 'B' and (resid 4 through 27 )B4 - 27
5X-RAY DIFFRACTION5chain 'B' and (resid 28 through 43 )B28 - 43
6X-RAY DIFFRACTION6chain 'B' and (resid 44 through 83 )B44 - 83
7X-RAY DIFFRACTION7chain 'B' and (resid 84 through 93 )B84 - 93
8X-RAY DIFFRACTION8chain 'B' and (resid 94 through 117 )B94 - 117
9X-RAY DIFFRACTION9chain 'B' and (resid 118 through 153 )B118 - 153
10X-RAY DIFFRACTION10chain 'B' and (resid 154 through 174 )B154 - 174
11X-RAY DIFFRACTION11chain 'B' and (resid 175 through 194 )B175 - 194
12X-RAY DIFFRACTION12chain 'B' and (resid 195 through 212 )B195 - 212
13X-RAY DIFFRACTION13chain 'B' and (resid 226 through 269 )B226 - 269
14X-RAY DIFFRACTION14chain 'B' and (resid 270 through 319 )B270 - 319
15X-RAY DIFFRACTION15chain 'B' and (resid 320 through 394 )B320 - 394
16X-RAY DIFFRACTION16chain 'B' and (resid 395 through 428 )B395 - 428
17X-RAY DIFFRACTION17chain 'C' and (resid -1 through 27 )C-1 - 27
18X-RAY DIFFRACTION18chain 'C' and (resid 28 through 83 )C28 - 83
19X-RAY DIFFRACTION19chain 'C' and (resid 84 through 121 )C84 - 121
20X-RAY DIFFRACTION20chain 'C' and (resid 122 through 153 )C122 - 153
21X-RAY DIFFRACTION21chain 'C' and (resid 154 through 194 )C154 - 194
22X-RAY DIFFRACTION22chain 'C' and (resid 195 through 310 )C195 - 310
23X-RAY DIFFRACTION23chain 'C' and (resid 311 through 382 )C311 - 382
24X-RAY DIFFRACTION24chain 'C' and (resid 383 through 421 )C383 - 421
25X-RAY DIFFRACTION25chain 'C' and (resid 422 through 473 )C422 - 473
26X-RAY DIFFRACTION26chain 'C' and (resid 474 through 553 )C474 - 553
27X-RAY DIFFRACTION27chain 'D' and (resid 4 through 83 )D4 - 83
28X-RAY DIFFRACTION28chain 'D' and (resid 84 through 104 )D84 - 104
29X-RAY DIFFRACTION29chain 'D' and (resid 105 through 212 )D105 - 212
30X-RAY DIFFRACTION30chain 'D' and (resid 231 through 253 )D231 - 253
31X-RAY DIFFRACTION31chain 'D' and (resid 254 through 296 )D254 - 296
32X-RAY DIFFRACTION32chain 'D' and (resid 297 through 319 )D297 - 319
33X-RAY DIFFRACTION33chain 'D' and (resid 320 through 417 )D320 - 417
34X-RAY DIFFRACTION34chain 'D' and (resid 418 through 428 )D418 - 428
35X-RAY DIFFRACTION35chain 'T' and (resid 704 through 708 )T704 - 708
36X-RAY DIFFRACTION36chain 'T' and (resid 709 through 713 )T709 - 713
37X-RAY DIFFRACTION37chain 'T' and (resid 714 through 723 )T714 - 723
38X-RAY DIFFRACTION38chain 'T' and (resid 724 through 725 )T724 - 725
39X-RAY DIFFRACTION39chain 'P' and (resid 803 through 807 )P803 - 807
40X-RAY DIFFRACTION40chain 'P' and (resid 808 through 817 )P808 - 817
41X-RAY DIFFRACTION41chain 'P' and (resid 818 through 821 )P818 - 821
42X-RAY DIFFRACTION42chain 'E' and (resid 704 through 708 )E704 - 708
43X-RAY DIFFRACTION43chain 'E' and (resid 709 through 713 )E709 - 713
44X-RAY DIFFRACTION44chain 'E' and (resid 714 through 718 )E714 - 718
45X-RAY DIFFRACTION45chain 'E' and (resid 719 through 723 )E719 - 723
46X-RAY DIFFRACTION46chain 'E' and (resid 724 through 725 )E724 - 725
47X-RAY DIFFRACTION47chain 'F' and (resid 803 through 807 )F803 - 807
48X-RAY DIFFRACTION48chain 'F' and (resid 808 through 821 )F808 - 821

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