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- PDB-7ugw: M. tuberculosis DNA gyrase cleavage core bound to DNA and evybactin -

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Basic information

Entry
Database: PDB / ID: 7ugw
TitleM. tuberculosis DNA gyrase cleavage core bound to DNA and evybactin
Components
  • DNA (46-MER)
  • DNA gyrase subunit A
  • DNA gyrase subunit B
  • evybactin
KeywordsISOMERASE/ANTIBIOTIC/DNA / Topoisomerase / inhibitor / natural product / ISOMERASE-ANTIBIOTIC-DNA complex
Function / homology
Function and homology information


DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) complex / DNA negative supercoiling activity / DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity / DNA topoisomerase (ATP-hydrolysing) / DNA topological change / peptidoglycan-based cell wall / DNA-templated DNA replication / chromosome / response to antibiotic / magnesium ion binding ...DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) complex / DNA negative supercoiling activity / DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity / DNA topoisomerase (ATP-hydrolysing) / DNA topological change / peptidoglycan-based cell wall / DNA-templated DNA replication / chromosome / response to antibiotic / magnesium ion binding / ATP hydrolysis activity / DNA binding / ATP binding / plasma membrane / cytoplasm
Similarity search - Function
DNA gyrase, subunit A / DNA gyrase/topoisomerase IV, subunit A, C-terminal repeat / DNA gyrase/topoisomerase IV, subunit A, C-terminal / : / DNA gyrase C-terminal domain, beta-propeller / DNA gyrase subunit B, TOPRIM domain / DNA gyrase, subunit B / DNA topoisomerase, type IIA, subunit B / DNA gyrase B subunit, C-terminal / DNA gyrase B subunit, carboxyl terminus ...DNA gyrase, subunit A / DNA gyrase/topoisomerase IV, subunit A, C-terminal repeat / DNA gyrase/topoisomerase IV, subunit A, C-terminal / : / DNA gyrase C-terminal domain, beta-propeller / DNA gyrase subunit B, TOPRIM domain / DNA gyrase, subunit B / DNA topoisomerase, type IIA, subunit B / DNA gyrase B subunit, C-terminal / DNA gyrase B subunit, carboxyl terminus / Topoisomerase (Topo) IIA-type catalytic domain profile. / DNA topoisomerase, type IIA, alpha-helical domain superfamily / DNA topoisomerase, type IIA, domain A / DNA topoisomerase, type IIA, domain A, alpha-beta / DNA gyrase/topoisomerase IV, subunit A / DNA Topoisomerase IV / DNA topoisomerase, type IIA, subunit B, domain 2 / DNA gyrase B / DNA topoisomerase, type IIA / DNA topoisomerase, type IIA, conserved site / DNA topoisomerase II signature. / TopoisomeraseII / DNA topoisomerase, type IIA, subunit B, C-terminal / Toprim domain / DNA topoisomerase, type IIA-like domain superfamily / Toprim domain profile. / TOPRIM domain / Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase / Histidine kinase-like ATPases / Histidine kinase/HSP90-like ATPase superfamily / EF-hand calcium-binding domain. / Ribosomal protein S5 domain 2-type fold, subgroup / Ribosomal protein S5 domain 2-type fold
Similarity search - Domain/homology
: / DNA / DNA (> 10) / DNA gyrase subunit B / DNA gyrase subunit A
Similarity search - Component
Biological speciesMycobacterium tuberculosis H37Rv (bacteria)
Photorhabdus noenieputensis (bacteria)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3 Å
AuthorsHauk, G. / Imai, Y. / Lewis, K. / Berger, J.M.
Funding support United States, 3items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)P01AI118687 United States
National Institutes of Health/National Cancer Institute (NIH/NCI)R01CA077373 United States
National Institutes of Health/National Cancer Institute (NIH/NCI)R35263778 United States
CitationJournal: Nat.Chem.Biol. / Year: 2022
Title: Evybactin is a DNA gyrase inhibitor that selectively kills Mycobacterium tuberculosis.
Authors: Imai, Y. / Hauk, G. / Quigley, J. / Liang, L. / Son, S. / Ghiglieri, M. / Gates, M.F. / Morrissette, M. / Shahsavari, N. / Niles, S. / Baldisseri, D. / Honrao, C. / Ma, X. / Guo, J.J. / Berger, J.M. / Lewis, K.
History
DepositionMar 25, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 17, 2022Provider: repository / Type: Initial release
Revision 1.1Sep 7, 2022Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ISSN / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Nov 9, 2022Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3Oct 18, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 2.0Oct 2, 2024Group: Advisory / Atomic model ...Advisory / Atomic model / Author supporting evidence / Data collection / Derived calculations / Non-polymer description / Other / Polymer sequence / Refinement description / Structure summary
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / chem_comp / chem_comp_atom / chem_comp_bond / entity_poly / entity_poly_seq / pdbx_contact_author / pdbx_database_status / pdbx_entity_instance_feature / pdbx_molecule / pdbx_molecule_features / pdbx_nonpoly_scheme / pdbx_poly_seq_scheme / pdbx_refine_tls / pdbx_refine_tls_group / pdbx_struct_assembly / pdbx_struct_assembly_prop / pdbx_struct_conn_angle / pdbx_struct_sheet_hbond / pdbx_validate_close_contact / pdbx_validate_rmsd_angle / pdbx_validate_rmsd_bond / pdbx_validate_torsion / refine / refine_hist / refine_ls_restr / refine_ls_shell / reflns / software / struct_conf / struct_conn / struct_sheet / struct_sheet_order / struct_sheet_range
Item: _chem_comp.formula / _chem_comp.formula_weight ..._chem_comp.formula / _chem_comp.formula_weight / _chem_comp.id / _chem_comp.mon_nstd_flag / _chem_comp.name / _chem_comp.pdbx_synonyms / _chem_comp.type / _chem_comp_atom.atom_id / _chem_comp_atom.comp_id / _chem_comp_atom.pdbx_aromatic_flag / _chem_comp_atom.pdbx_stereo_config / _chem_comp_atom.type_symbol / _chem_comp_bond.atom_id_1 / _chem_comp_bond.atom_id_2 / _chem_comp_bond.comp_id / _chem_comp_bond.pdbx_aromatic_flag / _chem_comp_bond.value_order / _entity_poly.pdbx_seq_one_letter_code / _entity_poly.pdbx_seq_one_letter_code_can / _entity_poly_seq.mon_id / _pdbx_database_status.pdb_format_compatible / _pdbx_entity_instance_feature.auth_comp_id / _pdbx_entity_instance_feature.comp_id / _pdbx_molecule.prd_id / _pdbx_molecule_features.prd_id / _pdbx_nonpoly_scheme.auth_seq_num / _pdbx_poly_seq_scheme.auth_seq_num / _pdbx_poly_seq_scheme.mon_id / _pdbx_poly_seq_scheme.pdb_mon_id / _pdbx_struct_assembly.details / _pdbx_struct_assembly.method_details / _pdbx_struct_conn_angle.value / _refine.B_iso_mean / _refine.ls_R_factor_R_free / _refine.ls_R_factor_R_work / _refine.ls_R_factor_obs / _refine.ls_d_res_low / _refine.ls_number_reflns_R_work / _refine.ls_number_reflns_obs / _refine.overall_SU_ML / _refine.pdbx_overall_phase_error / _refine.pdbx_solvent_vdw_probe_radii / _refine_hist.d_res_low / _refine_hist.pdbx_number_atoms_ligand / _refine_hist.pdbx_number_atoms_protein / _refine_ls_restr.dev_ideal / _refine_ls_shell.R_factor_R_free / _refine_ls_shell.R_factor_R_work / _refine_ls_shell.d_res_low / _refine_ls_shell.number_reflns_R_free / _refine_ls_shell.number_reflns_R_work / _refine_ls_shell.percent_reflns_obs / _reflns.B_iso_Wilson_estimate / _software.version / _struct_conf.end_auth_comp_id / _struct_conf.end_auth_seq_id / _struct_conf.end_label_comp_id / _struct_conf.end_label_seq_id / _struct_conf.pdbx_PDB_helix_length / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_label_comp_id / _struct_sheet.number_strands
Description: Chirality error
Details: Our collaborators recently identified that evybactin contains D-Methylhistidine, rather than the L- isoform. The coordinates have been updated to reflect this.
Provider: author / Type: Coordinate replacement

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: DNA gyrase subunit A
B: DNA gyrase subunit B
C: DNA gyrase subunit A
D: DNA gyrase subunit B
V: DNA (46-MER)
E: evybactin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)183,7848
Polymers183,7366
Non-polymers492
Water00
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area21790 Å2
ΔGint-123 kcal/mol
Surface area63920 Å2
MethodPISA
Unit cell
Length a, b, c (Å)83.075, 105.088, 250.183
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2

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Components

#1: Protein DNA gyrase subunit A / Type IIA topoisomerase subunit GyrA


Mass: 55870.184 Da / Num. of mol.: 2 / Mutation: Y129F
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mycobacterium tuberculosis H37Rv (bacteria)
Strain: ATCC 25618 / H37Rv / Gene: gyrA, Rv0006, MTCY10H4.04 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: P9WG47, DNA topoisomerase (ATP-hydrolysing)
#2: Protein DNA gyrase subunit B


Mass: 28129.266 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mycobacterium tuberculosis H37Rv (bacteria)
Strain: ATCC 25618 / H37Rv / Gene: gyrB, Rv0005, MTCY10H4.03 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: P9WG45, DNA topoisomerase (ATP-hydrolysing)
#3: DNA chain DNA (46-MER)


Mass: 14228.105 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#4: Protein/peptide evybactin


Type: Peptide-like / Class: Antibiotic / Mass: 1508.553 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Photorhabdus noenieputensis (bacteria) / References: BIRD: PRD_002540
#5: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg
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 Å3/Da / Density % sol: 59.05 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6
Details: 7-12% PEG10K; 100mM MES pH 6.0; 200mM magnesium acetate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: NSLS-II / Beamline: 17-ID-1 / Wavelength: 0.9201 Å
DetectorType: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Dec 4, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9201 Å / Relative weight: 1
ReflectionResolution: 3→48.46 Å / Num. obs: 44612 / % possible obs: 99.64 % / Redundancy: 4 % / Biso Wilson estimate: 59.17 Å2 / CC1/2: 0.995 / Rmerge(I) obs: 0.1395 / Rpim(I) all: 0.06624 / Rrim(I) all: 0.1549 / Net I/σ(I): 10.44
Reflection shellResolution: 3→3.107 Å / Num. unique obs: 4388 / CC1/2: 0.822

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
Cootmodel building
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5BS8

5bs8


Resolution: 3→48.44 Å / SU ML: 0.4094 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 28.8849
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.276 1809 4.06 %
Rwork0.2177 42778 -
obs0.22 44587 99.69 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 64.48 Å2
Refinement stepCycle: LAST / Resolution: 3→48.44 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11427 945 2 0 12374
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01312664
X-RAY DIFFRACTIONf_angle_d1.540217331
X-RAY DIFFRACTIONf_chiral_restr0.07011965
X-RAY DIFFRACTIONf_plane_restr0.0122126
X-RAY DIFFRACTIONf_dihedral_angle_d19.35774830
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3-3.080.43621370.33053237X-RAY DIFFRACTION99.73
3.08-3.170.36281360.3043217X-RAY DIFFRACTION99.76
3.17-3.270.31231390.28693264X-RAY DIFFRACTION99.71
3.27-3.390.32361350.26883220X-RAY DIFFRACTION99.53
3.39-3.530.3051390.24553278X-RAY DIFFRACTION99.82
3.53-3.690.2721360.23833215X-RAY DIFFRACTION99.67
3.69-3.880.2721400.21533301X-RAY DIFFRACTION99.42
3.88-4.120.26681380.20483252X-RAY DIFFRACTION99.74
4.12-4.440.26731380.18593284X-RAY DIFFRACTION99.59
4.44-4.890.24031410.17883320X-RAY DIFFRACTION99.68
4.89-5.60.24021400.19243307X-RAY DIFFRACTION99.77
5.6-7.050.30051410.22033375X-RAY DIFFRACTION99.72
7.05-48.440.23151490.18783508X-RAY DIFFRACTION99.81
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)
11.027591474390.144332907066-0.1299748410590.235181330633-0.176893926820.2557751702950.0802164397599-0.260942831808-0.04376510915530.0422458588592-0.0604848183077-0.0416885826415-0.08090766768410.0401319949076-9.57066052597E-50.351334860527-0.0146919394604-0.01209773469770.3588227871650.03237266681760.25421755228947.333418352639.132934027944.1703222392
20.04846887942240.0165635345267-0.236125381720.3552640314930.4949663571531.230609682650.1207821098480.0180419459461-0.279142898276-0.240754008269-0.00343253069524-0.154489542289-0.4433639846910.1501882077120.2630717307710.33993359415-0.03342625259-0.03579744012581.097919350910.5381068755970.17899224356341.714075287526.650460152369.3177978473
30.1495333235740.01635037940360.3189151900720.1506962529720.2165827837230.903172318141-0.0805043302039-0.270412494895-0.265562831390.337441000959-0.459418089313-0.4261170391030.100567102653-0.27561248229-0.5726058104350.7030516743710.007102468236320.06459961751991.124890318010.4534516424660.58688111199238.339142523725.401213084775.6243271278
40.103571825289-0.1421727194740.017374185840.12056724117-0.1613717003380.2985164277760.153803342513-0.156996764631-0.161941545227-0.0921169771989-0.199383389426-0.110657207908-0.06967754616250.1850005231430.01229131609430.375973756531-0.0517865614293-0.06221470770590.5537146626360.1534408749880.39245809548455.974535411330.235336137858.2729603004
50.2071135777020.1247015242930.04077238109130.196386480169-0.2496533710020.021388314530.1517659275880.1220861404290.299481810197-0.0763270661147-0.296052814904-0.1817100714570.04897464472760.3076210862960.0002668021678240.528109356825-0.08943561136350.008624820946310.4062031274330.03979541188970.37041542812552.225127637861.617877608730.381204249
60.33770892445-0.0258784733223-0.04746990254190.183371709654-0.1461027705640.0283963360282-0.04078525938430.3530918151120.4832905901880.07256469276930.103335863067-0.190150959588-0.2075399414430.3626643718970.005952193980610.752112365652-0.07819506921310.02762224097590.4699692739720.1115930497370.52301399097440.153380040576.719989919815.8542527469
70.2980234027440.007891376644970.2427762129430.01582853464040.04715205300420.2418087275610.0552606388025-0.7380558157780.4864272258970.228154999676-0.0683769586679-0.248763005761-0.3192045444820.2817748533910.1148619236740.621471874312-0.0224661329730.03471465334950.609955466384-0.1068353011120.35516944258553.251221130555.215127055352.1155211883
80.06823890135370.0708907659327-0.1230987885520.0172150138527-0.04633163002510.06985065396540.06808274118480.0241164055743-0.253635018282-0.0865040176633-0.01173881363910.1177687044430.3181474302330.04521941505296.77088804341E-70.546961946354-0.028604905425-0.03981219838540.4084758115-0.1147599691080.78447024073433.40496619610.13380944307323.2311635282
90.4338496391630.159245246321-0.06846123609150.07136938428910.07986054756510.372213575858-0.0313378182538-0.00773410652226-0.574041459604-0.1240287106650.0513490389868-0.1677540059120.0269813911403-0.059111864183-0.0005099210006540.4126169275690.03986493264350.003018413735410.2799903639830.06255060377370.6923073427943.97955695815.4236193006429.3830370373
100.113813728448-0.0727054885026-0.2121789160630.1504391533990.03870784128290.234039019490.1448893405590.4313243409220.08474070244540.00418587200224-0.110646446002-0.0289384069642-0.0469512922982-0.00355146878662.60903910768E-90.4541941335870.02510254955160.006239457042820.494474667545-0.0500801467050.50527657486638.313437876327.526983289510.4126529278
110.0197070224430.030486730086-0.02563218598030.0953506812657-0.04263110239470.0391136952756-0.06366862186380.1206314680220.0745199932942-0.2722200480280.261631830918-0.056399643509-0.0704968414290.2595166615593.42397213093E-60.5855962936880.0517253234322-0.005736938173690.502353463269-0.03246557923210.82465963786748.42401738428.9180613491615.5478511734
120.271350614252-0.0384038462177-0.0731659609831-0.0100740260610.02191425322410.008350660768380.09873023182760.04334084112940.05103459369690.2782378448410.0661304070914-0.0644164772274-0.11123892674-0.04170901996942.12450453018E-70.4280972586720.04349856405010.01046373567240.5058580930070.1413415746840.82568591787563.024668081517.839167936631.9460582577
130.2294844094720.166237657514-0.004838076104350.05059179240540.102582507820.218354466603-0.05851630004280.1228258625890.07743253560410.0385394854840.2043488181540.157273222365-0.134017099592-0.3123892703280.001018940785750.2772649935210.05361174491730.05106076521920.2246178319990.08118236469730.2776619074998.7250265723134.810201175736.7205839114
140.185107995442-0.147973646197-0.03821122206860.2523647991580.1637406227440.219765503916-0.0592684301842-0.0777417419467-0.1879705989570.04862405705530.02898782727810.003789632328750.02814222766750.0382115486859-4.11120459196E-80.3364142203820.03193677274820.01290713346350.3024194345940.05545171518330.32011549131819.958924479129.394991172125.2712542627
150.358465700416-0.186249996766-0.09062591031760.418929020501-0.1752992770490.1021226405960.09828063149780.036641092754-0.128937384607-0.119942697386-0.02729278893210.0480691076795-0.0275081546924-0.225526315405-1.25095323642E-90.391686811480.0242103350222-0.05775545987530.4002251993010.04399414950920.3542034435340.18432551659732.929759988418.9524218488
160.1178749203520.003741695296710.06725149232210.286869497753-0.02230113202760.006182110350120.06734165295370.0438940458078-0.121290258308-0.003774080083570.009098138988290.2213544305070.113546148085-0.2360182581790.0005901118255270.405093127368-0.0357096063296-0.08093802281610.259518152016-0.004242455741360.60694763145210.76427509941.7183513452716.6215150474
170.1718147540460.0983658577870.177345462920.3621367326270.1309767461110.402395698582-0.0550883900618-0.225195380104-0.260729892212-0.1138881792740.3109757210080.07043412710970.04340652215850.0894821305890.0004781751272380.414432013994-0.0363615160304-0.05416659619770.4011194236140.04440704217580.5109842644545.499799690688.9703607740918.1548907961
180.227329970390.530862013370.3287824191870.8271304451470.1811324128330.006785910799570.1763526444840.2062058426430.2877280839180.359627202092-0.203260762970.526527224180.0183134488692-0.191914245003-0.1394653596250.4450928930110.0622920108174-0.007828457661620.3679689844150.1987028308480.4628166286183.9751246602655.357690958316.3894415059
190.3387909505970.0312680080382-0.0647457610131-0.0102066707916-0.0260143558649-0.0120702723645-0.06045753875370.1720989778750.376766879412-0.0446553176842-0.003761653486080.106610739811-0.342792897304-0.120206367628-0.05287061419730.766251169197-0.0146210963331-0.02332731267310.4388984054870.1992784657660.69738403731617.354102764176.243723213.6088997466
200.01107392735140.07740041580810.07610341861740.06318469915010.06899416825980.105501006917-0.003909018821440.2631063682160.0251242239911-0.370459893498-0.08465406951770.155566538401-0.0441997117440.2221874951791.20665605907E-70.499156197117-0.0329816479971-0.01383961868270.485856039126-0.008995317685160.3168661292652.5564343387536.04994016617.23806468892
210.0290797514885-0.06044733187630.005997060931540.0578230584103-0.03005844681614.11373376962E-5-0.09367234920820.3509748477390.4173978208070.0279441119981-0.256084769208-0.140915550320.4791520134050.3026131230541.16574401169E-60.6901557122670.02046586417210.02148520475710.8256779800270.1943435280640.56566662100521.972766337520.792458649171.2308784746
220.206399554769-0.204183018182-0.1118484178530.246229350949-0.1031995893350.345509054464-0.0708912586377-0.319065907402-0.238692612124-0.02452855288150.0719149729150.1115334529230.04810733773860.02119185659388.80840417215E-90.542710832792-0.03324858565710.02704481191560.633169379060.2279819489640.49479202828614.134585389118.672686514459.8092756558
230.439683198457-0.1883627869450.1335894245870.199479933046-0.2422114704940.3795775202120.002050507587-0.201930406477-0.01373997420170.09361253855710.01942215003090.250725015637-0.0745397625922-0.1277002102742.91191109571E-100.463357255202-0.02375452108210.009669890930350.5698650765410.1442239303320.4062081870516.3397515275432.539672760355.8214452114
24-0.0202017020339-0.03159211304510.04087881914980.144207150942-0.03420304566480.579409188036-0.1418051272310.255420149683-0.333200832596-0.2286990797070.197580441235-0.569944150350.4507162669020.7383462138930.00101952063970.627097421391-0.07986913110180.009171495993320.6509404672030.09686442618980.8569897123819.2827895839612.410534149237.5181982047
25-0.0307219971150.4232248843130.2834170052230.341250234150.1904149185060.0501594862808-0.0470525254958-0.535085282438-0.7854470392440.0611297504433-0.01023188631870.05566532166320.0343054584686-0.0729577512759-1.293373398180.4803834581080.00901670043442-0.04248466579350.5756385953360.3020042235310.64556784973735.689500908318.507586228145.545227159
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 15 through 260 )AA15 - 2601 - 246
22chain 'A' and (resid 261 through 291 )AA261 - 291247 - 275
33chain 'A' and (resid 292 through 323 )AA292 - 323276 - 307
44chain 'A' and (resid 324 through 357 )AA324 - 357308 - 341
55chain 'A' and (resid 358 through 399 )AA358 - 399342 - 383
66chain 'A' and (resid 400 through 470 )AA400 - 470384 - 454
77chain 'A' and (resid 471 through 501 )AA471 - 501455 - 485
88chain 'B' and (resid 425 through 460 )BB425 - 4601 - 33
99chain 'B' and (resid 461 through 564 )BB461 - 56434 - 137
1010chain 'B' and (resid 565 through 625 )BB565 - 625138 - 198
1111chain 'B' and (resid 626 through 640 )BB626 - 640199 - 213
1212chain 'B' and (resid 641 through 675 )BB641 - 675214 - 248
1313chain 'C' and (resid 14 through 72 )CD14 - 721 - 59
1414chain 'C' and (resid 73 through 142 )CD73 - 14260 - 129
1515chain 'C' and (resid 143 through 246 )CD143 - 246130 - 233
1616chain 'C' and (resid 247 through 304 )CD247 - 304234 - 291
1717chain 'C' and (resid 305 through 357 )CD305 - 357292 - 344
1818chain 'C' and (resid 358 through 398 )CD358 - 398345 - 385
1919chain 'C' and (resid 399 through 470 )CD399 - 470386 - 457
2020chain 'C' and (resid 471 through 500 )CD471 - 500458 - 487
2121chain 'D' and (resid 425 through 453 )DE425 - 4531 - 23
2222chain 'D' and (resid 454 through 521 )DE454 - 52124 - 91
2323chain 'D' and (resid 522 through 674 )DE522 - 67492 - 232
2424chain 'V' and (resid 1 through 15 )VF1 - 15
2525chain 'V' and (resid 16 through 46 )VF16 - 46

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