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- PDB-7oje: Crystal structure of the covalent complex between Tribolium casta... -

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Basic information

Entry
Database: PDB / ID: 7oje
TitleCrystal structure of the covalent complex between Tribolium castaneum deubiquitinase ZUP and Ubiquitin-PA
Components
  • Lys-63-specific deubiquitinase ZUFSP
  • Polyubiquitin-B
KeywordsHYDROLASE / ZUFSP / deubiquitinase / Tribolium castaneum / Red flour beetle / cysteine peptidase / Ubiquitin / Ubiquitin-Propargylamide
Function / homology
Function and homology information


hypothalamus gonadotrophin-releasing hormone neuron development / female meiosis I / positive regulation of protein monoubiquitination / fat pad development / mitochondrion transport along microtubule / female gonad development / seminiferous tubule development / male meiosis I / positive regulation of intrinsic apoptotic signaling pathway by p53 class mediator / energy homeostasis ...hypothalamus gonadotrophin-releasing hormone neuron development / female meiosis I / positive regulation of protein monoubiquitination / fat pad development / mitochondrion transport along microtubule / female gonad development / seminiferous tubule development / male meiosis I / positive regulation of intrinsic apoptotic signaling pathway by p53 class mediator / energy homeostasis / regulation of neuron apoptotic process / neuron projection morphogenesis / regulation of proteasomal protein catabolic process / Maturation of protein E / Maturation of protein E / ER Quality Control Compartment (ERQC) / Myoclonic epilepsy of Lafora / FLT3 signaling by CBL mutants / Prevention of phagosomal-lysosomal fusion / IRAK2 mediated activation of TAK1 complex / Alpha-protein kinase 1 signaling pathway / Glycogen synthesis / IRAK1 recruits IKK complex / IRAK1 recruits IKK complex upon TLR7/8 or 9 stimulation / Endosomal Sorting Complex Required For Transport (ESCRT) / Membrane binding and targetting of GAG proteins / Negative regulation of FLT3 / Regulation of TBK1, IKKε (IKBKE)-mediated activation of IRF3, IRF7 / PTK6 Regulates RTKs and Their Effectors AKT1 and DOK1 / Regulation of TBK1, IKKε-mediated activation of IRF3, IRF7 upon TLR3 ligation / Constitutive Signaling by NOTCH1 HD Domain Mutants / IRAK2 mediated activation of TAK1 complex upon TLR7/8 or 9 stimulation / NOTCH2 Activation and Transmission of Signal to the Nucleus / TICAM1,TRAF6-dependent induction of TAK1 complex / TICAM1-dependent activation of IRF3/IRF7 / APC/C:Cdc20 mediated degradation of Cyclin B / Downregulation of ERBB4 signaling / Regulation of FZD by ubiquitination / APC-Cdc20 mediated degradation of Nek2A / p75NTR recruits signalling complexes / InlA-mediated entry of Listeria monocytogenes into host cells / TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling / TRAF6-mediated induction of TAK1 complex within TLR4 complex / Regulation of pyruvate metabolism / NF-kB is activated and signals survival / Regulation of innate immune responses to cytosolic DNA / Downregulation of ERBB2:ERBB3 signaling / Pexophagy / NRIF signals cell death from the nucleus / VLDLR internalisation and degradation / Regulation of PTEN localization / Activated NOTCH1 Transmits Signal to the Nucleus / Regulation of BACH1 activity / Synthesis of active ubiquitin: roles of E1 and E2 enzymes / MAP3K8 (TPL2)-dependent MAPK1/3 activation / TICAM1, RIP1-mediated IKK complex recruitment / Translesion synthesis by REV1 / InlB-mediated entry of Listeria monocytogenes into host cell / Translesion synthesis by POLK / Activation of IRF3, IRF7 mediated by TBK1, IKKε (IKBKE) / Downregulation of TGF-beta receptor signaling / JNK (c-Jun kinases) phosphorylation and activation mediated by activated human TAK1 / Josephin domain DUBs / Translesion synthesis by POLI / Regulation of activated PAK-2p34 by proteasome mediated degradation / IKK complex recruitment mediated by RIP1 / Gap-filling DNA repair synthesis and ligation in GG-NER / positive regulation of protein ubiquitination / PINK1-PRKN Mediated Mitophagy / TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) / TNFR1-induced NF-kappa-B signaling pathway / Autodegradation of Cdh1 by Cdh1:APC/C / regulation of mitochondrial membrane potential / APC/C:Cdc20 mediated degradation of Securin / TCF dependent signaling in response to WNT / N-glycan trimming in the ER and Calnexin/Calreticulin cycle / Regulation of NF-kappa B signaling / Asymmetric localization of PCP proteins / Ubiquitin-dependent degradation of Cyclin D / activated TAK1 mediates p38 MAPK activation / SCF-beta-TrCP mediated degradation of Emi1 / NIK-->noncanonical NF-kB signaling / TNFR2 non-canonical NF-kB pathway / AUF1 (hnRNP D0) binds and destabilizes mRNA / Regulation of signaling by CBL / Vpu mediated degradation of CD4 / Negative regulators of DDX58/IFIH1 signaling / NOTCH3 Activation and Transmission of Signal to the Nucleus / Deactivation of the beta-catenin transactivating complex / Assembly of the pre-replicative complex / Ubiquitin-Mediated Degradation of Phosphorylated Cdc25A / Degradation of DVL / Negative regulation of FGFR3 signaling / Fanconi Anemia Pathway / Peroxisomal protein import / Dectin-1 mediated noncanonical NF-kB signaling / Cdc20:Phospho-APC/C mediated degradation of Cyclin A / Negative regulation of FGFR2 signaling / Stabilization of p53 / Negative regulation of FGFR4 signaling
Similarity search - Function
Peptidase C78, ubiquitin fold modifier-specific peptidase 1/ 2 / Peptidase family C78 / : / Zinc finger, C2H2 type / zinc finger / Zinc finger C2H2 type domain profile. / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1 / Zinc finger C2H2 type domain signature. / Zinc finger C2H2-type / : ...Peptidase C78, ubiquitin fold modifier-specific peptidase 1/ 2 / Peptidase family C78 / : / Zinc finger, C2H2 type / zinc finger / Zinc finger C2H2 type domain profile. / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1 / Zinc finger C2H2 type domain signature. / Zinc finger C2H2-type / : / Ubiquitin domain signature. / Ubiquitin conserved site / Ubiquitin domain / Ubiquitin-like (UB roll) / Ubiquitin family / Ubiquitin homologues / Ubiquitin domain profile. / Ubiquitin-like domain / Ubiquitin-like domain superfamily / Roll / Alpha Beta
Similarity search - Domain/homology
CITRIC ACID / Zinc finger-containing ubiquitin peptidase 1 / Polyubiquitin-B
Similarity search - Component
Biological speciesTribolium castaneum (red flour beetle)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.05 Å
AuthorsPichlo, C. / Hermanns, T. / Hofmann, K. / Baumann, U.
CitationJournal: Nat Commun / Year: 2022
Title: A structural basis for the diverse linkage specificities within the ZUFSP deubiquitinase family.
Authors: Hermanns, T. / Pichlo, C. / Baumann, U. / Hofmann, K.
History
DepositionMay 14, 2021Deposition site: PDBE / Processing site: PDBE
Revision 1.0Feb 2, 2022Provider: repository / Type: Initial release
Revision 1.1Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model
Revision 1.2Nov 6, 2024Group: Derived calculations / Structure summary
Category: pdbx_entry_details / pdbx_modification_feature / struct_conn
Item: _pdbx_entry_details.has_protein_modification / _struct_conn.pdbx_leaving_atom_flag

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Lys-63-specific deubiquitinase ZUFSP
B: Polyubiquitin-B
C: Lys-63-specific deubiquitinase ZUFSP
D: Polyubiquitin-B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)101,86515
Polymers101,0324
Non-polymers83211
Water7,080393
1
A: Lys-63-specific deubiquitinase ZUFSP
B: Polyubiquitin-B
hetero molecules


  • defined by author&software
  • Evidence: native gel electrophoresis, Complexes between A and B or C and D respectively are biochemically (SDS-PAGE) validated complexes. In addition, Zup is a validated deubiquitinase and thus has ...Evidence: native gel electrophoresis, Complexes between A and B or C and D respectively are biochemically (SDS-PAGE) validated complexes. In addition, Zup is a validated deubiquitinase and thus has to interact with ubiqutin
  • 51 kDa, 2 polymers
  • Search similar-shape structures of this assembly by Omokage search (details)
Theoretical massNumber of molelcules
Total (without water)51,0069
Polymers50,5162
Non-polymers4907
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
2
C: Lys-63-specific deubiquitinase ZUFSP
D: Polyubiquitin-B
hetero molecules


Theoretical massNumber of molelcules
Total (without water)50,8596
Polymers50,5162
Non-polymers3434
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)151.607, 151.607, 83.751
Angle α, β, γ (deg.)90.000, 90.000, 120.000
Int Tables number169
Space group name H-MP61
Space group name HallP61
Symmetry operation#1: x,y,z
#2: x-y,x,z+1/6
#3: y,-x+y,z+5/6
#4: -y,x-y,z+1/3
#5: -x+y,-x,z+2/3
#6: -x,-y,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 227 through 234 or (resid 235...
d_2ens_1(chain "C" and (resid 227 through 244 or resid 246...
d_1ens_2chain "B"
d_2ens_2chain "D"

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1CYSALAA5 - 22
d_12ens_1HISPROA24 - 34
d_13ens_1ALAGLUA36 - 41
d_14ens_1ARGGLUA43 - 76
d_15ens_1SERTHRA78 - 124
d_16ens_1LEUGLUA126 - 164
d_17ens_1LEUSERA166 - 184
d_18ens_1LEUTRPA186 - 194
d_19ens_1GLNASNA196 - 261
d_110ens_1GLYGLYA264
d_111ens_1GLUALAA266 - 317
d_112ens_1ALAALAA319 - 332
d_113ens_1GLNGLUA334 - 347
d_114ens_1GLNARGA349 - 365
d_21ens_1CYSALAH2 - 19
d_22ens_1HISGLUH21 - 37
d_23ens_1ARGGLUH39 - 72
d_24ens_1SERTHRH74 - 120
d_25ens_1LEUGLUH122 - 160
d_26ens_1LEUSERH162 - 180
d_27ens_1LEUTRPH182 - 190
d_28ens_1GLNASNH192 - 257
d_29ens_1GLYALAH261 - 313
d_210ens_1ALAALAH315 - 328
d_211ens_1GLNGLUH330 - 343
d_212ens_1GLNARGH345 - 361
d_11ens_2METGLYE1 - 75
d_21ens_2METGLYJ1 - 75

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(-0.970601935947, -0.222613915662, 0.0915146244552), (-0.227569284731, 0.724945702239, -0.650127640893), (0.0783843261282, -0.651841064493, -0.754293791608)-99.0533051907, -17.3004098805, -11.130941625
2given(-0.97474434322, -0.213023840529, 0.0670396056545), (-0.201246846128, 0.707735208729, -0.677207930586), (0.0968151449092, -0.673596108726, -0.732731267263)-99.8571294091, -16.1742420952, -9.40861880344

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Components

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Protein , 2 types, 4 molecules ACBD

#1: Protein Lys-63-specific deubiquitinase ZUFSP / Zinc finger with UFM1-specific peptidase domain protein / Zinc finger-containing ubiquitin peptidase 1


Mass: 41957.246 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Tribolium castaneum (red flour beetle) / Gene: TcasGA2_TC005718 / Production host: Escherichia coli (E. coli) / References: UniProt: D6WWN1
#2: Protein Polyubiquitin-B


Mass: 8558.857 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Details: Ubiquitin functionalized with propargylamine replacing Gly76
Source: (gene. exp.) Homo sapiens (human) / Gene: UBB / Production host: Escherichia coli (E. coli) / References: UniProt: P0CG47

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Non-polymers , 5 types, 404 molecules

#3: Chemical ChemComp-CIT / CITRIC ACID


Mass: 192.124 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C6H8O7
#4: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C2H6O2
#5: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn
#6: Chemical ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Na
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 393 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY
Has protein modificationY

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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: 2.75 Å3/Da / Density % sol: 55.23 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / Details: 8 % (v/v) Tacsimate pH 7; 22 %PEG3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 1.000021 Å
DetectorType: DECTRIS PILATUS 2M-F / Detector: PIXEL / Date: Mar 19, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.000021 Å / Relative weight: 1
ReflectionResolution: 2.05→51.67 Å / Num. obs: 67359 / % possible obs: 97.94 % / Redundancy: 8.6 % / Biso Wilson estimate: 34 Å2 / CC1/2: 0.998 / Net I/σ(I): 12.83
Reflection shellResolution: 2.05→2.123 Å / Num. unique obs: 6329 / CC1/2: 0.411

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Processing

Software
NameVersionClassification
PHENIX1.19.1_4122refinement
PHENIX1.19.1_4122refinement
XDS20180126data reduction
XDS20180126data scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6EI1

6ei1


Resolution: 2.05→51.67 Å / SU ML: 0.2837 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 23.9919
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2186 1927 2.86 %
Rwork0.1852 65438 -
obs0.1862 67342 97.92 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 61.63 Å2
Refinement stepCycle: LAST / Resolution: 2.05→51.67 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6898 0 55 393 7346
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00617126
X-RAY DIFFRACTIONf_angle_d0.78749630
X-RAY DIFFRACTIONf_chiral_restr0.05071059
X-RAY DIFFRACTIONf_plane_restr0.00681265
X-RAY DIFFRACTIONf_dihedral_angle_d13.36252699
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.82396691566
ens_2d_2CX-RAY DIFFRACTIONTorsion NCS0.461582943211
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.05-2.10.34121320.30044350X-RAY DIFFRACTION91.81
2.1-2.160.29521340.2684506X-RAY DIFFRACTION95.43
2.16-2.220.2911340.2554658X-RAY DIFFRACTION97.76
2.22-2.290.28641390.24344635X-RAY DIFFRACTION97.91
2.29-2.370.26851390.22094684X-RAY DIFFRACTION97.95
2.37-2.470.25711310.21324642X-RAY DIFFRACTION98.13
2.47-2.580.2831360.21084708X-RAY DIFFRACTION98.7
2.58-2.720.22631380.19374681X-RAY DIFFRACTION98.29
2.72-2.890.21251390.21194716X-RAY DIFFRACTION98.52
2.89-3.110.24661410.18054692X-RAY DIFFRACTION98.94
3.11-3.430.26031420.18694746X-RAY DIFFRACTION99.21
3.43-3.920.18291390.15684750X-RAY DIFFRACTION99.23
3.92-4.940.16871380.14914800X-RAY DIFFRACTION99.38
4.94-56.20.18211450.16274870X-RAY DIFFRACTION99.66
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)
14.08768980301-0.4314095820170.8208590319073.587403700061.221456040246.83060627589-0.4307599057270.808645527592-0.024633132923-1.170456522130.343144479033-0.8443921256450.2931160885850.8304406989790.04720274534930.754190134107-0.1301856838420.1888525262770.609992870098-0.1428581239780.691094538073-58.3565382833-0.712295659959-42.5711952438
21.289196770520.07670046577420.6986046908221.03829978371-0.7969085785491.064966295880.290111110712-0.0449108289535-0.290294049610.41873589582-0.278223951825-0.629027709930.2316838546390.11801443869-0.1640008807540.478521284827-0.0236982124952-0.1893636524660.3705491193830.06451181610960.480400164107-58.443915437815.6690074553-5.7390834459
33.359412319320.04827657506441.52681099914.09206274771-1.703767775586.081449176440.1030079428920.2274559471520.240455965650.0162809961248-0.08299419875510.0985757587107-0.3594582682590.254094343693-0.01525602872310.2891004197890.003307151680310.008844003165050.22048613498-0.01477645208430.205525925515-72.902517861944.8733053014-18.2666691247
40.464683167833-0.100366260678-0.1298957553581.59901540202-0.3446410693551.000492147850.0449992744629-0.0769588550105-0.03537449055570.428400679898-0.0603463420585-0.00442607101870.272722728845-0.09045409250670.01875210343840.494136230786-0.0768775722661-0.03713014512490.2999285641360.003029043882480.219772709932-74.817165486420.4198929654-3.20301902713
51.293120335720.49119172712-0.6197980121282.39109600439-1.24616705224.277721851510.02725462753620.09863923100150.0428961720107-0.02848217650020.0536839718260.2757934325540.157497408276-0.424111215988-0.07722930270370.278535087645-0.0402003678006-0.04038194823310.2644414904020.001802518084980.228866892054-82.852450585825.5879249643-19.1731047966
61.045030851370.868269671778-0.2091853945190.928653631402-0.7491318752693.024249069780.116907533619-0.03286419094450.0296270409990.163065126621-0.06084282984020.0381488378782-0.0970452124705-0.12656652194-0.07914993068430.274448337729-0.00239309186302-0.02142642447030.217541207164-0.008100521587710.169561710013-75.859104463733.3330429145-19.5239708468
71.75789410412-0.007896944597071.186300817961.09311845290.9439098351863.22268609682-0.04851415367650.05899359381420.314689744144-0.02709036403270.0315638112976-0.304745470664-0.4144650634120.4564519305230.0346108352080.348606556336-0.0379346310506-0.02238879100730.290721269658-0.003550021769290.325305261892-63.081584311636.8559039009-18.0907582137
81.327703450280.432798167452-0.8442608698662.09777369557-0.6643113523023.278912808790.01348420371830.196495322856-0.1175804021090.0603916465951-0.0353400670410.3188373290790.448277019629-0.5797830950670.04963338371760.337935882343-0.0863654100883-0.01743072767270.32232916196-0.02914883092470.251011879651-86.695151684319.3432988511-16.5044440465
90.10382251173-0.221391182390.236854947440.8050836743420.2167384894912.257364871690.0986531378330.00358021339955-0.1213772823950.314967620948-0.0853842981173-0.04403133530630.716294995699-0.458366670427-0.004810994918170.695703411242-0.0829646967798-0.01956435761020.259867731948-0.02636983286960.261357256624-75.7260195605-5.85941802878-26.9700408165
104.66151796605-0.517252976434-1.830070301682.635743294260.3075795707094.27015166717-0.00696985206743-0.0808788211147-0.1131045991680.104314513808-0.208984277980.358818612920.22890538129-0.490037108930.2467363878080.468016162834-0.0953846683128-0.009003039768380.275082532198-0.05856087819880.245842545241-81.24034227082.49580999598-26.3951611348
117.143630818530.3221668196192.843370341580.8550178466491.066742776193.56396624213-0.3093725748640.3696003706840.554546662818-0.3955423958910.045763976895-0.0738171974295-0.1549320130330.09619342390760.2289458807020.545187078217-0.02169156454490.004260854156240.2941899780270.02574264572770.302780215103-71.30898320633.51033221389-35.3071534121
120.957554479768-0.224279280113-0.1435717602141.73030389851.057235918412.05316233443-0.04627567781460.142430827897-0.1590101163270.1261912022850.0588055175357-0.2177371629010.468398885095-0.02018006593720.002952427209850.5219613645-0.0196269085838-0.05731583663280.251148602589-0.0147825426450.275603777305-71.74996532370.80166099317-25.578896366
132.320628059962.176111763820.1370436315454.263159726491.968329191541.524980905260.100362505041-0.7942101781960.06355205823671.162756269090.252269768036-0.05241975282140.47996706613-0.215471947455-0.3084954987530.948928471671-0.140889023261-0.4247472206611.099831992560.3126529373410.918635340085-44.700921890424.05321576815.52897013
142.840578098732.291651350450.7928292085962.632442141532.288635669264.91867561386-0.010110202368-0.460369938405-0.4717581830410.395367472413-0.596432474375-0.3199072662520.226179437391-0.007576676454230.1379541748360.597742484239-0.139271185813-0.3774614628270.5322627840580.3272799842461.63696826465-40.11674559849.69067805911-4.02132984389
153.760590677351.12009239943-0.04589131384950.33390842255-0.07910732954311.48895049135-0.1561194123280.391415549092-0.522180487281-0.5260565607430.209082352269-1.16689561101-0.1796128470540.4450920523120.005679679816290.550693950723-0.1477082557030.2265131165750.479898290646-0.145081090680.894449886706-49.7258788511.676400595-31.5350029724
160.534952708613-0.1385610200450.5380674497720.753057293799-0.9332159914261.72911946057-0.5139121945760.49831803084-0.313275887159-0.4430111268730.29288942062-0.734734368799-0.3322444422440.1427436756750.1638933380290.677780354599-0.1843839692950.1658577725870.5125898654480.0183013538271.18149220482-38.944923196530.4728796591-29.9263899851
170.9102740949190.0342772533651-0.03484929916990.131635064488-0.2743240957540.571452830336-0.1736884082820.537536426834-0.621057612733-0.1644698561890.0084534967068-0.4068329852650.1208612778970.2382936569960.251955901330.92846428465-0.3216885773860.6200316523391.03993143851-0.4779785584032.00579036035-27.036043759217.3418705932-38.8423172795
180.1067812590190.1768166468920.2391241085190.2996722124050.3980320426240.5352239377950.08179279248740.127692136856-0.857814484948-0.05368048326250.120253831273-0.9499559862570.06395563517420.325956106282-0.008273690359380.518296107583-0.07166554775110.01014687650380.514118082103-0.02764617467942.05987650958-26.728881079615.3542600135-21.0466474963
192.100642393120.9497748579880.1839610497362.672238313520.2018108041092.25597700482-0.3106758969550.1376410475060.144402532495-0.2425782170130.130041926116-0.482713454693-0.545745831540.07558755520.1560482161340.665161904944-0.108423339549-0.05234274724830.421938024530.06846803845141.02430956151-37.27166711436.9788125859-21.9812340747
202.641591550050.261211183142-0.1813448032550.145031839044-0.3274129557390.807388785301-0.2030807351660.331183786992-0.895549666603-0.2320280292140.314706744755-1.016626812070.0376235929220.512586917526-0.1003048028390.630346372973-0.1874935191220.02935822360290.714563410678-0.05089276014612.07003682354-17.859194211625.6104509424-19.7833319465
212.00486688762-0.9359497140480.8024768511540.450113971886-0.2274700403811.89575159791-0.278626249772-0.659476605-0.1371911790320.4155267563160.268186003444-0.2190577754660.009912961555420.102413668178-0.02250539540660.859091389845-0.0739034107417-0.6331782416590.8018020937570.3908269070491.74294283141-27.096196234110.28272396374.3639015097
220.573952924262-0.01042574460040.06496019619560.156734005050.2634700258420.4544009787080.0323851622539-0.373608174589-0.1439270620660.1036785321130.132698629417-0.04685367178260.2235702518830.047654809245-0.08875259672551.07550083707-0.203334941177-0.71166759231.314417308820.3079835358081.40454691778-24.791963966221.191996472714.039135341
234.24794893749-0.6250020437570.4717166860570.4237079332010.2456905104741.5157472195-0.0345241034834-0.0567658856049-0.2417557406720.03577547811990.0454028964825-0.06364126763520.002211630542780.50991882874-0.1005972775560.634577174341-0.108535849141-0.4866938734570.9400850461040.2350599057651.76870545148-20.739734739819.01881530673.38330380966
241.321881015561.4689514889-0.2515391028341.64072369361-0.1946780818610.8278682562340.00948137533084-0.04455558259320.1035941470150.160527280259-0.0165735665854-0.683797525668-0.049122360780.305552548250.08898646316560.704420658535-0.190868732915-0.5370909489230.7698509468180.3309545208041.66635254246-29.919557915422.68242787760.536747673954
252.36076603147-0.6060798268640.7607017121780.247936701160.07223445149651.007532786680.0587545194758-0.799017525951-0.1705971535080.2935925201810.0181517045311-0.3499715465880.176583813889-0.205991732902-0.02427053723030.732669059145-0.201563297335-0.5879164500920.7427789397060.3486100948411.45786363311-32.020712620118.19755611954.39499073438
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 223 through 263 )AA223 - 2631 - 36
22chain 'A' and (resid 264 through 333 )AA264 - 33337 - 106
33chain 'A' and (resid 334 through 353 )AA334 - 353107 - 126
44chain 'A' and (resid 354 through 445 )AA354 - 445127 - 218
55chain 'A' and (resid 446 through 489 )AA446 - 489219 - 262
66chain 'A' and (resid 490 through 525 )AA490 - 525263 - 298
77chain 'A' and (resid 526 through 556 )AA526 - 556299 - 329
88chain 'A' and (resid 557 through 592 )AA557 - 592330 - 365
99chain 'B' and (resid 1 through 22 )BE1 - 221 - 22
1010chain 'B' and (resid 23 through 44 )BE23 - 4423 - 44
1111chain 'B' and (resid 45 through 59 )BE45 - 5945 - 59
1212chain 'B' and (resid 60 through 75 )BE60 - 7560 - 75
1313chain 'C' and (resid 226 through 263 )CH226 - 2631 - 32
1414chain 'C' and (resid 264 through 286 )CH264 - 28633 - 55
1515chain 'C' and (resid 287 through 333 )CH287 - 33356 - 102
1616chain 'C' and (resid 334 through 385 )CH334 - 385103 - 154
1717chain 'C' and (resid 386 through 409 )CH386 - 409155 - 178
1818chain 'C' and (resid 410 through 465 )CH410 - 465179 - 234
1919chain 'C' and (resid 466 through 561 )CH466 - 561235 - 330
2020chain 'C' and (resid 562 through 592 )CH562 - 592331 - 361
2121chain 'D' and (resid 1 through 16 )DJ1 - 161 - 16
2222chain 'D' and (resid 17 through 22 )DJ17 - 2217 - 22
2323chain 'D' and (resid 23 through 34 )DJ23 - 3423 - 34
2424chain 'D' and (resid 35 through 54 )DJ35 - 5435 - 54
2525chain 'D' and (resid 55 through 75 )DJ55 - 7555 - 75

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