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

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Basic information

Entry
Database: PDB / ID: 6anq
TitleSTRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 8.5
Components
  • (HIV-1 REVERSE TRANSCRIPTASE ...Reverse transcriptase) x 2
  • DNA PRIMER (5'- D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*GP)-3')
  • DNA TEMPLATE (5'- D(*AP*TP*GP*AP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-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
Human immunodeficiency virus type 1 BH10
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.586 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 14, 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 TEMPLATE (5'- D(*AP*TP*GP*AP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3')
P: DNA PRIMER (5'- D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*GP)-3')
C: HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT
D: HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT
E: DNA TEMPLATE (5'- D(*AP*TP*GP*AP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3')
F: DNA PRIMER (5'- D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*GP)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)263,61826
Polymers261,4878
Non-polymers2,13118
Water11,638646
1
A: HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT
B: HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT
T: DNA TEMPLATE (5'- D(*AP*TP*GP*AP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3')
P: DNA PRIMER (5'- D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*GP)-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 area15630 Å2
ΔGint-59 kcal/mol
Surface area47650 Å2
MethodPISA
2
C: HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT
D: HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT
E: DNA TEMPLATE (5'- D(*AP*TP*GP*AP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3')
F: DNA PRIMER (5'- D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*GP)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)131,71712
Polymers130,7444
Non-polymers9738
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area14890 Å2
ΔGint-66 kcal/mol
Surface area48210 Å2
MethodPISA
Unit cell
Length a, b, c (Å)89.853, 132.723, 139.471
Angle α, β, γ (deg.)90.000, 98.060, 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: C280S, I63C
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 TEMPLATE (5'- D(*AP*TP*GP*AP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3')


Mass: 8376.399 Da / Num. of mol.: 2 / Source method: obtained synthetically
Details: COMMERCIAL DNA OLIGO SYNTHESIS: INTEGRATED DNA TECHNOLOGIES
Source: (synth.) Human immunodeficiency virus type 1 BH10
#4: DNA chain DNA PRIMER (5'- D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*GP)-3')


Mass: 6400.123 Da / Num. of mol.: 2 / Source method: obtained synthetically
Details: COMMERCIAL DNA OLIGO SYNTHESIS: MIDLAND CERTIFIED REAGENT COMPANY
Source: (synth.) Homo sapiens (human)

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Non-polymers , 4 types, 664 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.: 12 / Source method: obtained synthetically / Formula: C3H8O3
#8: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 646 / 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, 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: White beam collimating mirror, horizontally focusing monochromator using single bent triangular Si(111) crystal, vertically focusing Rh-coated Si mirror
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9177 Å / Relative weight: 1
ReflectionResolution: 2.586→50 Å / Num. obs: 100112 / % possible obs: 99.5 % / Redundancy: 6.5 % / Biso Wilson estimate: 55.81 Å2 / Rmerge(I) obs: 0.091 / Χ2: 1.043 / Net I/σ(I): 18.1
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. unique obsΧ2% possible all
2.6-2.694.90.7361.797640.95597.3
2.69-2.85.50.6252.499970.95499.7
2.8-2.935.80.4843.299621.00699.6
2.93-3.0860.3584.6100211.08199.9
3.08-3.286.40.2417.7100091.16799.9
3.28-3.536.90.15113.6100411.218100
3.53-3.887.30.09720.9100461.121100
3.88-4.457.30.06427.4100850.956100
4.45-5.67.40.05335.2100941.023100
5.6-507.30.04832.9100930.91898.6

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Phasing

PhasingMethod: molecular replacement
Phasing MR
Highest resolutionLowest resolution
Rotation8.76 Å43.44 Å
Translation8.76 Å43.44 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 6AMO

6amo


Resolution: 2.586→43.445 Å / SU ML: 0.38 / Cross valid method: FREE R-VALUE / σ(F): 1.39 / Phase error: 24.73
RfactorNum. reflection% reflection
Rfree0.2189 1781 1.78 %
Rwork0.1796 --
obs0.1803 100068 98.9 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 279.55 Å2 / Biso mean: 89.785 Å2 / Biso min: 22.38 Å2
Refinement stepCycle: final / Resolution: 2.586→43.445 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms15778 1716 132 646 18272
Biso mean--91.7 64.12 -
Num. residues----2008
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00618270
X-RAY DIFFRACTIONf_angle_d0.44125129
X-RAY DIFFRACTIONf_chiral_restr0.042722
X-RAY DIFFRACTIONf_plane_restr0.0032859
X-RAY DIFFRACTIONf_dihedral_angle_d13.2810627
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 13

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.5855-2.65540.3861210.31726758687989
2.6554-2.73350.34361350.287775467681100
2.7335-2.82180.3061380.26276127750100
2.8218-2.92260.30021380.244876007738100
2.9226-3.03960.31131410.229276057746100
3.0396-3.17790.26631370.21775927729100
3.1779-3.34540.26861370.20976577794100
3.3454-3.55490.23791390.18176107749100
3.5549-3.82920.19911360.162676527788100
3.8292-4.21430.17741400.148876577797100
4.2143-4.82340.15721400.135976537793100
4.8234-6.07430.19151380.15877047842100
6.0743-43.45090.18991410.16087641778298
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)
10.919-0.0141-0.05490.06850.00390.00650.1946-0.52391.0532-0.60.14260.4428-0.4968-0.0889-0.26591.4355-0.17330.03850.75660.06391.031433.424422.432818.3023
20.0893-0.04960.01210.0253-0.00560.00210.00550.80680.3988-0.85890.13010.8221-0.5645-0.1272-0.2531.843-0.2841-0.20731.34070.24590.96529.584819.669827.074
31.45010.0808-0.59670.8584-0.37661.76230.15160.24220.719-0.54370.23270.1455-0.88910.1421-0.21581.188-0.23210.02670.55060.05860.851135.673223.303143.5846
43.48451.0585-1.16011.0528-0.32111.6595-0.0567-0.03420.2512-0.04690.13480.1777-0.1954-0.1279-0.00650.32910.0499-0.06430.3421-0.10360.444711.436-0.235171.0803
51.28880.3723-0.50513.4337-0.06682.5402-0.21450.3272-0.2247-0.81750.3254-0.28970.02080.5223-0.14430.6276-0.17440.09270.7089-0.22090.569240.6158-12.825439.9284
60.9942-1.2988-0.60142.43221.13141.9426-0.109-0.459-0.2601-0.1020.3061-0.69130.27050.8304-0.17490.5290.1429-0.05320.8722-0.14580.909639.7753-30.240655.7614
70.8965-0.5708-1.20090.97550.11262.2976-0.42760.0468-0.44460.06240.07440.22840.6761-0.14150.26250.4752-0.06860.05220.3713-0.11990.622812.0358-26.990966.5184
82.3182-0.30050.80633.37941.65642.4016-0.2069-0.1392-0.1879-0.205-0.02040.24780.0373-0.04030.15670.307-0.0659-0.00790.4032-0.13430.480126.6234-14.646257.2944
90.25280.06410.18241.6793-0.94671.20970.0440.2237-0.0425-0.6790.04130.36990.0647-0.653-0.06631.55020.1257-0.00351.0818-0.09850.633422.5758-63.1405-14.1456
100.61990.6947-0.2150.8037-0.35340.5658-0.71261.0545-0.0686-0.82050.77310.8178-0.1413-0.5828-0.14072.32430.0484-0.33551.50940.01551.138215.286-56.5135-22.7082
111.5612-0.3727-1.03531.7102-1.02752.57340.22880.9074-0.0362-0.58610.13870.44780.2619-0.7946-0.26161.35970.1376-0.04460.99970.0510.597919.636-48.8484-3.4764
122.32860.38661.26561.70350.62280.791-0.04550.7708-0.1095-0.58230.11340.20231.1388-1.1437-0.17522.0123-0.1128-0.08411.6776-0.07040.551318.5797-59.3332-18.7693
131.6568-0.586-0.50051.5548-0.44563.02740.47040.70090.4988-0.8612-0.09830.049-0.5826-0.4643-0.33371.2990.17540.08530.71660.09980.576622.6101-38.39010.8064
143.35931.1834-0.33932.7555-0.1934.11560.3080.04480.3953-0.7202-0.1210.8966-0.4713-1.2158-0.24550.80390.0846-0.05890.70650.05180.86595.2315-42.206519.6129
152.1193-0.1406-1.48952.512-0.92423.38210.10570.02070.2864-0.3902-0.0075-0.0986-0.3080.0221-0.07570.4856-0.0398-0.00810.2844-0.12740.443220.2763-44.699631.815
161.51520.5839-0.26172.0663-0.99061.1558-0.1-0.3687-0.1773-0.21150.21730.19570.0855-0.2837-0.12450.2502-0.0736-0.07190.632-0.00360.45965.0458-67.59151.817
172.08030.50240.05732.8426-0.39882.6813-0.0729-0.188-0.2083-0.08680.09260.17310.1018-0.2517-0.00940.2385-0.0254-0.04520.48170.00230.43857.6019-66.358150.0145
182.51850.10230.13962.74360.51912.50240.09590.0421-0.1492-0.6257-0.1157-0.45220.51670.991-0.10781.03080.1810.20510.7914-0.00910.629341.4361-61.16312.2778
190.7651-0.051-0.31751.9289-0.150.93950.1614-0.0196-0.0769-0.6245-0.3701-0.71110.33381.30420.05711.00190.34590.38351.37710.15130.860353.4743-67.30419.5564
200.97080.0356-0.28030.8678-0.55630.4227-0.12420.0159-0.0388-0.2697-0.071-0.30930.21250.65780.04720.40150.00090.01130.92960.04140.640536.789-71.150150.1094
211.5001-0.5016-0.13761.5622-1.41733.76440.0288-0.0537-0.3744-0.3617-0.2756-0.2190.51370.45290.17010.37150.029-0.02870.5066-0.0510.44632.98-74.326448.0562
222.4045-0.33490.52235.1627-0.14564.0360.1178-0.1389-0.0563-0.2135-0.3540.15580.20350.33730.23790.55540.03920.05180.642-0.08070.473732.6916-64.178132.9751
233.38293.4873-0.71513.79610.0848.6640.44130.90951.07590.3231-0.09131.9844-0.6593-0.4177-0.14141.6986-0.0961-0.18151.08730.31721.350225.714619.34734.1689
245.04571.38621.12562.1444-0.77691.5242-0.77270.5839-0.065-1.0240.56010.91440.5669-0.59360.17531.1172-0.2219-0.03130.8939-0.0271.01469.80251.612950.0839
251.38660.10091.33510.03140.10751.2983-0.35930.09020.0262-0.3592-0.35020.2556-0.3809-0.99980.53611.8085-0.64180.07672.2486-0.39582.4653-12.2347-15.83651.7422
263.21350.3220.12041.61411.65832.87070.67120.7159-1.114-0.7120.5134-0.01561.7497-0.2255-0.87971.9915-0.4027-0.48481.8372-0.25841.0808-4.8556-14.211247.1363
272.0572.225-0.54292.4089-0.58830.1433-0.8120.71710.488-1.75290.63640.3039-0.0422-0.37440.20171.2557-0.2935-0.02951.04630.20051.033914.94359.446747.9558
281.75940.5436-1.57161.99730.31794.43380.48530.7426-0.1656-1.12450.08730.48170.8726-0.9658-0.44981.4834-0.039-0.1771.06450.08340.817313.2987-54.67196.9156
295.46450.5139-0.16517.2814-1.26716.23510.64950.2064-1.4126-1.3778-0.12190.10641.41741.132-0.44611.3659-0.11620.18221.05330.04271.501912.6736-74.468828.1397
304.17442.9681.69042.70890.30072.7363-0.4130.3875-0.7152-0.0037-0.33050.20151.09750.12830.52242.176-0.50490.1991.80090.31752.87117.7467-90.763639.5801
312.6364-0.05411.62120.4393-0.5641.737-0.46560.0023-1.11310.21680.3389-0.70670.83180.9856-0.1531.9758-0.1180.46651.3069-0.41461.862212.8838-87.766932.8991
320.8669-1.27930.34443.2079-2.23932.39770.16270.5921-0.0231-2.0527-0.150.32811.3371-0.3646-0.15021.4323-0.1809-0.11750.957-0.00170.737311.4521-61.062917.3328
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid -1 through 49 )A-1 - 49
2X-RAY DIFFRACTION2chain 'A' and (resid 50 through 96 )A50 - 96
3X-RAY DIFFRACTION3chain 'A' and (resid 97 through 325 )A97 - 325
4X-RAY DIFFRACTION4chain 'A' and (resid 326 through 553 )A326 - 553
5X-RAY DIFFRACTION5chain 'B' and (resid 4 through 174 )B4 - 174
6X-RAY DIFFRACTION6chain 'B' and (resid 175 through 253 )B175 - 253
7X-RAY DIFFRACTION7chain 'B' and (resid 254 through 363 )B254 - 363
8X-RAY DIFFRACTION8chain 'B' and (resid 364 through 428 )B364 - 428
9X-RAY DIFFRACTION9chain 'C' and (resid -1 through 27 )C-1 - 27
10X-RAY DIFFRACTION10chain 'C' and (resid 28 through 59 )C28 - 59
11X-RAY DIFFRACTION11chain 'C' and (resid 60 through 114 )C60 - 114
12X-RAY DIFFRACTION12chain 'C' and (resid 115 through 153 )C115 - 153
13X-RAY DIFFRACTION13chain 'C' and (resid 154 through 269 )C154 - 269
14X-RAY DIFFRACTION14chain 'C' and (resid 270 through 325 )C270 - 325
15X-RAY DIFFRACTION15chain 'C' and (resid 326 through 421 )C326 - 421
16X-RAY DIFFRACTION16chain 'C' and (resid 422 through 473 )C422 - 473
17X-RAY DIFFRACTION17chain 'C' and (resid 474 through 553 )C474 - 553
18X-RAY DIFFRACTION18chain 'D' and (resid 4 through 88 )D4 - 88
19X-RAY DIFFRACTION19chain 'D' and (resid 89 through 210 )D89 - 210
20X-RAY DIFFRACTION20chain 'D' and (resid 211 through 269 )D211 - 269
21X-RAY DIFFRACTION21chain 'D' and (resid 270 through 382 )D270 - 382
22X-RAY DIFFRACTION22chain 'D' and (resid 383 through 428 )D383 - 428
23X-RAY DIFFRACTION23chain 'T' and (resid 704 through 708 )T704 - 708
24X-RAY DIFFRACTION24chain 'T' and (resid 709 through 723 )T709 - 723
25X-RAY DIFFRACTION25chain 'T' and (resid 724 through 725 )T724 - 725
26X-RAY DIFFRACTION26chain 'P' and (resid 803 through 807 )P803 - 807
27X-RAY DIFFRACTION27chain 'P' and (resid 808 through 821 )P808 - 821
28X-RAY DIFFRACTION28chain 'E' and (resid 704 through 713 )E704 - 713
29X-RAY DIFFRACTION29chain 'E' and (resid 714 through 723 )E714 - 723
30X-RAY DIFFRACTION30chain 'E' and (resid 724 through 725 )E724 - 725
31X-RAY DIFFRACTION31chain 'F' and (resid 803 through 807 )F803 - 807
32X-RAY DIFFRACTION32chain 'F' and (resid 808 through 821 )F808 - 821

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