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- PDB-6an2: STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WIT... -

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Basic information

Entry
Database: PDB / ID: 6an2
TitleSTRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 7.5
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 / RT / DNA / CROSSLINK / N SITE COMPLEX / PYROPHOSPHOROLYSIS / P51 / P66 / TRANSFERASE-DNA COMPLEX / D4T (STAVUDINE)
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: 2.7 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 11, 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)263,80228
Polymers261,4878
Non-polymers2,31520
Water11,079615
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)131,99315
Polymers130,7444
Non-polymers1,25011
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area15970 Å2
ΔGint-61 kcal/mol
Surface area47790 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)131,80913
Polymers130,7444
Non-polymers1,0659
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area15190 Å2
ΔGint-65 kcal/mol
Surface area48350 Å2
MethodPISA
Unit cell
Length a, b, c (Å)89.958, 132.606, 139.319
Angle α, β, γ (deg.)90.000, 98.070, 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 / Source: (synth.) synthetic construct (others)
#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 / Source: (synth.) synthetic construct (others)

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Non-polymers , 4 types, 635 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.: 14 / Source method: obtained synthetically / Formula: C3H8O3
#8: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 615 / 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: 60.91 % / 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 to 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: 2.7→50 Å / Num. obs: 88184 / % possible obs: 99.6 % / Redundancy: 6.5 % / Biso Wilson estimate: 62.19 Å2 / Rmerge(I) obs: 0.097 / Χ2: 1.135 / Net I/σ(I): 18
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. unique obsΧ2% possible all
2.7-2.850.7471.987250.97398.9
2.8-2.915.40.6252.587841.01999.2
2.91-3.045.70.5033.487131.07899.4
3.04-3.260.3635.288421.16499.8
3.2-3.46.60.2359.188031.27499.9
3.4-3.6670.15315.388391.37100
3.66-4.037.20.09922.288391.233100
4.03-4.627.30.06928.488641.11399.9
4.62-5.817.40.0583589081.174100
5.81-507.30.04829.188670.8898.4

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Phasing

PhasingMethod: molecular replacement
Phasing MR
Highest resolutionLowest resolution
Rotation8.76 Å45.98 Å
Translation8.76 Å45.98 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: 2.7→45.979 Å / SU ML: 0.37 / Cross valid method: FREE R-VALUE / σ(F): 1.38 / Phase error: 23.4
RfactorNum. reflection% reflection
Rfree0.216 1572 1.78 %
Rwork0.1733 --
obs0.174 88137 99.18 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 315.62 Å2 / Biso mean: 98.2429 Å2 / Biso min: 24.23 Å2
Refinement stepCycle: final / Resolution: 2.7→45.979 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms15778 1716 144 615 18253
Biso mean--101.75 72.08 -
Num. residues----2008
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00518280
X-RAY DIFFRACTIONf_angle_d0.42125139
X-RAY DIFFRACTIONf_chiral_restr0.0392722
X-RAY DIFFRACTIONf_plane_restr0.0032859
X-RAY DIFFRACTIONf_dihedral_angle_d13.08510631
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 11

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.7002-2.78730.3491390.30587520765995
2.7873-2.88690.29711450.2697815796099
2.8869-3.00250.29441380.24667871800999
3.0025-3.13910.30151440.237578708014100
3.1391-3.30460.28371420.208679018043100
3.3046-3.51160.25551440.183378998043100
3.5116-3.78260.20731440.164979608104100
3.7826-4.1630.20481440.150678968040100
4.163-4.76490.16011440.134879508094100
4.7649-6.00110.17961440.14979778121100
6.0011-45.9860.18671440.15537906805098
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)
10.5907-0.04230.10340.3008-0.38930.49890.4441-0.56211.2824-0.4531-0.01190.6865-0.6026-0.1725-0.2171.8092-0.20480.0661.0650.08231.356933.44122.470318.3163
20.0432-0.08830.11620.1689-0.22090.2807-0.26250.74350.3856-0.77530.24910.9775-1.0222-0.0532-0.24782.0537-0.3005-0.26831.36140.20820.985629.679219.726127.1157
31.75170.322-0.77910.7398-0.32552.53520.16180.30360.7894-0.61430.25680.244-1.00070.1487-0.22361.3153-0.25060.03750.60150.05560.954435.803123.332343.6971
43.50531.1023-1.25440.9662-0.291.3897-0.0559-0.04260.2017-0.05340.11750.2109-0.2325-0.1570.00960.32910.0465-0.06150.3724-0.110.448711.5396-0.231771.1278
51.63340.2288-0.30543.0239-0.30092.7537-0.19890.3699-0.2548-0.88210.3382-0.3991-0.03630.5852-0.15070.6712-0.18310.11430.7606-0.26110.613740.723-12.825339.9425
61.0852-1.0465-0.5381.60481.15481.9074-0.0179-0.5133-0.137-0.07690.3588-0.52940.08220.87-0.29690.57070.1669-0.04180.8859-0.17710.957939.8756-30.291155.7813
70.943-0.5045-0.89541.09320.3651.8545-0.40520.0323-0.56950.02220.09210.1250.5698-0.07590.24350.4352-0.04690.0320.371-0.11230.593414.804-25.888565.2922
82.9892-0.02421.31253.07251.4761.6346-0.1569-0.2669-0.2899-0.1223-0.19010.43270.0417-0.33160.19930.3531-0.0781-0.01530.4515-0.14910.512925.1308-13.085857.0656
90.56850.2027-0.94440.6815-0.19281.54580.03730.74820.0387-1.02310.13540.35890.0021-0.6414-0.18631.99420.1578-0.15631.27340.04620.774219.1746-54.2775-11.4858
101.35820.69940.43562.52820.64790.22210.07961.14-0.0112-1.1948-0.03610.34790.8668-1.44110.06482.30840.007-0.23932.031-0.13460.656418.9157-59.2222-18.4081
112.0176-0.1003-0.89251.6407-0.68793.48450.46580.66130.3401-0.7811-0.11020.4255-0.4933-0.6287-0.32611.24770.18830.01490.75150.10150.713917.0889-39.25726.8094
122.2997-0.5008-1.67113.2839-0.49983.29830.1380.04190.3305-0.4221-0.0206-0.136-0.37660.0544-0.09440.4903-0.0428-0.00630.2929-0.11680.430620.2785-44.606131.7376
132.96570.89080.15182.218-0.7392.5451-0.0567-0.3469-0.2777-0.07740.12620.11390.1308-0.2946-0.04080.2107-0.0392-0.05150.51410.00810.43576.5118-66.78850.5788
142.77430.09920.21793.22140.56442.03430.08590.1539-0.0688-0.6667-0.1181-0.47710.48841.0389-0.12331.12790.18520.25210.88080.00780.655441.8712-58.640211.136
151.3249-0.3693-0.38422.1565-0.0681.03250.2802-0.04350.0306-0.8785-0.4266-0.74420.43781.21980.02231.08860.34980.39311.33880.14060.847951.6504-67.552918.9772
161.1330.5181-0.55090.6948-0.51980.4155-0.1075-0.0602-0.0991-0.3542-0.1407-0.39380.12080.84210.0420.4635-0.01530.07441.03160.08640.705936.7534-71.176149.9583
171.3776-0.2909-0.11761.754-1.65784.1930.07490.0002-0.3099-0.4708-0.2824-0.2210.41680.40920.20110.40230.0557-0.02560.5482-0.0420.503132.8798-72.203144.4358
182.256-0.71290.23633.4758-1.05732.87130.278-0.6144-0.33050.198-0.46390.28980.45620.3480.06950.6712-0.04940.11880.8152-0.00640.618832.6794-65.280836.0748
193.64853.1733-0.61712.94250.58868.87030.40481.04311.22490.30070.12251.6516-0.6337-0.6812-0.40071.6332-0.0965-0.17241.21740.40551.307925.752419.355134.3014
204.06992.32160.85672.8172-0.97881.623-0.87510.4593-0.0269-1.30110.47350.66350.4581-0.54630.38361.096-0.1891-0.01080.9926-0.07491.12389.90721.591750.2083
212.9632-0.20182.63290.0309-0.17352.3534-0.05160.3639-0.2064-0.4044-0.33830.1511-0.1892-0.61880.24291.8606-0.6826-0.32722.6852-0.20712.2042-12.0945-16.000551.833
221.92730.47421.25480.93581.39153.50560.55470.7063-1.0195-0.6210.29990.03841.4056-0.1727-0.56221.9305-0.3535-0.29411.8608-0.35871.1654-4.7536-14.285947.1719
231.11380.58810.38942.8158-1.41321.7915-0.53790.62520.5878-1.70710.05120.0981-0.74350.50720.39961.3101-0.3462-0.08641.30040.19041.091311.04314.230849.0006
240.32160.04091.12563.88150.66064.2288-0.0942-0.1123-0.0072-1.24290.73210.682-0.101-0.5032-0.53241.3655-0.0815-0.00611.05250.28751.379425.435723.037745.6421
251.9179-0.112-1.6636.73330.22144.8888-0.13891.1539-0.802-0.62660.73931.5014-0.1573-1.3612-0.55131.9616-0.0212-0.25761.53460.03671.052913.8045-55.7011-1.5058
260.6304-0.0348-0.09642.4338-1.07150.7403-0.10840.764-0.3621-1.67710.37460.92521.11540.0964-0.23671.5046-0.1514-0.10750.9353-0.05491.000111.1894-62.107117.7712
272.3749-2.7694-4.33389.50692.75068.75141.547-0.0542-0.97970.5065-0.4904-0.17891.3776-0.0537-0.88951.4329-0.2428-0.22011.50230.30621.741713.2044-81.799737.1726
283.61440.18022.57820.8051-0.99843.4355-0.390.4424-0.78040.02810.1823-0.67391.17020.7550.00872.2967-0.140.36831.5575-0.44081.910812.9044-87.659732.864
290.2496-0.41540.12984.1336-3.7383.64280.16960.5985-0.0234-1.779-0.15310.38261.0632-0.2014-0.16081.4805-0.1889-0.09661.05260.02520.723211.4704-60.972417.2312
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 382 )B254 - 382
8X-RAY DIFFRACTION8chain 'B' and (resid 383 through 428 )B383 - 428
9X-RAY DIFFRACTION9chain 'C' and (resid -1 through 114 )C-1 - 114
10X-RAY DIFFRACTION10chain 'C' and (resid 115 through 155 )C115 - 155
11X-RAY DIFFRACTION11chain 'C' and (resid 156 through 325 )C156 - 325
12X-RAY DIFFRACTION12chain 'C' and (resid 326 through 421 )C326 - 421
13X-RAY DIFFRACTION13chain 'C' and (resid 422 through 553 )C422 - 553
14X-RAY DIFFRACTION14chain 'D' and (resid 4 through 71 )D4 - 71
15X-RAY DIFFRACTION15chain 'D' and (resid 72 through 210 )D72 - 210
16X-RAY DIFFRACTION16chain 'D' and (resid 211 through 269 )D211 - 269
17X-RAY DIFFRACTION17chain 'D' and (resid 270 through 404 )D270 - 404
18X-RAY DIFFRACTION18chain 'D' and (resid 405 through 428 )D405 - 428
19X-RAY DIFFRACTION19chain 'T' and (resid 704 through 708 )T704 - 708
20X-RAY DIFFRACTION20chain 'T' and (resid 709 through 723 )T709 - 723
21X-RAY DIFFRACTION21chain 'T' and (resid 724 through 725 )T724 - 725
22X-RAY DIFFRACTION22chain 'P' and (resid 803 through 807 )P803 - 807
23X-RAY DIFFRACTION23chain 'P' and (resid 808 through 817 )P808 - 817
24X-RAY DIFFRACTION24chain 'P' and (resid 818 through 821 )P818 - 821
25X-RAY DIFFRACTION25chain 'E' and (resid 704 through 708 )E704 - 708
26X-RAY DIFFRACTION26chain 'E' and (resid 709 through 718 )E709 - 718
27X-RAY DIFFRACTION27chain 'E' and (resid 719 through 725 )E719 - 725
28X-RAY DIFFRACTION28chain 'F' and (resid 803 through 807 )F803 - 807
29X-RAY DIFFRACTION29chain 'F' and (resid 808 through 821 )F808 - 821

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