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- PDB-8r6o: Tubulin-4AZA2996 complex -

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Basic information

Entry
Database: PDB / ID: 8r6o
TitleTubulin-4AZA2996 complex
Components
  • Detyrosinated tubulin alpha-1B chain
  • Stathmin-4
  • Tubulin beta-2B chain
  • Tubulin tyrosine ligase
KeywordsCELL CYCLE / TUBULIN FOLD / CYTOSKELETON / MICROTUBULE
Function / homology
Function and homology information


tubulin-tyrosine ligase / regulation of metaphase plate congression / tubulin-tyrosine ligase activity / positive regulation of axon guidance / microtubule depolymerization / regulation of microtubule polymerization or depolymerization / microtubule-based process / cytoplasmic microtubule / tubulin binding / positive regulation of mitotic cell cycle ...tubulin-tyrosine ligase / regulation of metaphase plate congression / tubulin-tyrosine ligase activity / positive regulation of axon guidance / microtubule depolymerization / regulation of microtubule polymerization or depolymerization / microtubule-based process / cytoplasmic microtubule / tubulin binding / positive regulation of mitotic cell cycle / post-translational protein modification / cellular response to interleukin-4 / spindle microtubule / structural constituent of cytoskeleton / microtubule cytoskeleton organization / neuron migration / neuron projection development / mitotic cell cycle / double-stranded RNA binding / microtubule cytoskeleton / growth cone / Hydrolases; Acting on acid anhydrides; Acting on GTP to facilitate cellular and subcellular movement / microtubule / neuron projection / cilium / protein heterodimerization activity / GTPase activity / ubiquitin protein ligase binding / GTP binding / Golgi apparatus / metal ion binding / cytosol / cytoplasm
Similarity search - Function
: / Tubulin-tyrosine ligase/Tubulin polyglutamylase / Tubulin-tyrosine ligase family / TTL domain profile. / Stathmin family / Stathmin, conserved site / Stathmin superfamily / Stathmin family / Stathmin family signature 1. / Stathmin family signature 2. ...: / Tubulin-tyrosine ligase/Tubulin polyglutamylase / Tubulin-tyrosine ligase family / TTL domain profile. / Stathmin family / Stathmin, conserved site / Stathmin superfamily / Stathmin family / Stathmin family signature 1. / Stathmin family signature 2. / Stathmin-like (SLD) domain profile. / Tubulin-beta mRNA autoregulation signal. / Alpha tubulin / Beta tubulin, autoregulation binding site / Beta tubulin / Tubulin / Tubulin, C-terminal / Tubulin C-terminal domain / Tubulin, conserved site / Tubulin subunits alpha, beta, and gamma signature. / Tubulin/FtsZ family, C-terminal domain / Tubulin/FtsZ-like, C-terminal domain / Tubulin/FtsZ, C-terminal / Tubulin/FtsZ, 2-layer sandwich domain / Tubulin/FtsZ family, GTPase domain / Tubulin/FtsZ family, GTPase domain / Tubulin/FtsZ, GTPase domain / Tubulin/FtsZ, GTPase domain superfamily
Similarity search - Domain/homology
PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER / GUANOSINE-5'-DIPHOSPHATE / GUANOSINE-5'-TRIPHOSPHATE / Chem-RME / Tubulin--tyrosine ligase / Stathmin-4 / Tubulin alpha-1B chain / Tubulin beta-2B chain
Similarity search - Component
Biological speciesRattus norvegicus (Norway rat)
Gallus gallus (chicken)
Bos taurus (domestic cattle)
MethodX-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 2.2 Å
AuthorsHerman, J. / Vanstreels, E. / Bardiot, D. / Prota, A.E. / Olieric, N. / Gao, L.-J. / Vercruysse, T. / Daems, T. / Waer, M. / Herdewijn, P. ...Herman, J. / Vanstreels, E. / Bardiot, D. / Prota, A.E. / Olieric, N. / Gao, L.-J. / Vercruysse, T. / Daems, T. / Waer, M. / Herdewijn, P. / Louat, T. / Steinmetz, M.O. / De Jonghe, S. / Sprangers, B. / Daelemans, D.
Funding support Belgium, Switzerland, 2items
OrganizationGrant numberCountry
Research Foundation - Flanders (FWO)1842919N Belgium
Swiss National Science Foundation31003A_166608 Switzerland
CitationJournal: Plos One / Year: 2024
Title: 3-nitropyridine analogues as novel microtubule-targeting agents.
Authors: Herman, J. / Vanstreels, E. / Bardiot, D. / Prota, A.E. / Gaillard, N. / Gao, L.J. / Vercruysse, T. / Persoons, L. / Daems, T. / Waer, M. / Herdewijn, P. / Louat, T. / Steinmetz, M.O. / De ...Authors: Herman, J. / Vanstreels, E. / Bardiot, D. / Prota, A.E. / Gaillard, N. / Gao, L.J. / Vercruysse, T. / Persoons, L. / Daems, T. / Waer, M. / Herdewijn, P. / Louat, T. / Steinmetz, M.O. / De Jonghe, S. / Sprangers, B. / Daelemans, D.
History
DepositionNov 22, 2023Deposition site: PDBE / Processing site: PDBE
Revision 1.0Nov 27, 2024Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Detyrosinated tubulin alpha-1B chain
B: Tubulin beta-2B chain
C: Detyrosinated tubulin alpha-1B chain
D: Tubulin beta-2B chain
E: Stathmin-4
F: Tubulin tyrosine ligase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)265,22322
Polymers261,6316
Non-polymers3,59216
Water6,161342
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: equilibrium centrifugation
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area21490 Å2
ΔGint-140 kcal/mol
Surface area79860 Å2
MethodPISA
Unit cell
Length a, b, c (Å)105.327, 158.182, 182.681
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

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Protein , 4 types, 6 molecules ACBDEF

#1: Protein Detyrosinated tubulin alpha-1B chain


Mass: 50204.445 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Bos taurus (domestic cattle) / Organ: BRAIN / References: UniProt: P81947
#2: Protein Tubulin beta-2B chain


Mass: 49999.887 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Bos taurus (domestic cattle) / Organ: BRAIN / References: UniProt: Q6B856
#3: Protein Stathmin-4 / Stathmin-like protein B3 / RB3


Mass: 16844.162 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Rattus norvegicus (Norway rat) / Gene: Stmn4 / Organ: BRAIN / Production host: Escherichia coli (E. coli) / References: UniProt: P63043
#4: Protein Tubulin tyrosine ligase


Mass: 44378.496 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Gallus gallus (chicken) / Gene: TTL / Production host: Escherichia coli (E. coli) / References: UniProt: A0A8V0Z8P0

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Non-polymers , 8 types, 358 molecules

#5: Chemical ChemComp-GTP / GUANOSINE-5'-TRIPHOSPHATE


Mass: 523.180 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C10H16N5O14P3 / Comment: GTP, energy-carrying molecule*YM
#6: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Mg
#7: Chemical ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Ca
#8: Chemical ChemComp-GDP / GUANOSINE-5'-DIPHOSPHATE


Type: RNA linking / Mass: 443.201 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C10H15N5O11P2 / Comment: GDP, energy-carrying molecule*YM
#9: Chemical ChemComp-RME / N6-(4-methylpyridin-2-yl)-N2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine / ~{N}6-(4-methylpyridin-2-yl)-~{N}2-(2-morpholin-4-ylethyl)-3-nitro-pyridine-2,6-diamine


Mass: 358.395 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C17H22N6O3 / Feature type: SUBJECT OF INVESTIGATION
#10: Chemical ChemComp-MES / 2-(N-MORPHOLINO)-ETHANESULFONIC ACID


Mass: 195.237 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C6H13NO4S / Comment: pH buffer*YM
#11: Chemical ChemComp-ACP / PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER / ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE


Mass: 505.208 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Formula: C11H18N5O12P3 / Comment: AMP-PCP, energy-carrying molecule analogue*YM
#12: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 342 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY
Has protein modificationN

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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: 3.06 Å3/Da / Density % sol: 59.8 %
Crystal growTemperature: 293 K / Method: vapor diffusion / pH: 6.7
Details: 4% PEG 4K, 10% glycerol, 30 mM MgCl2, 30 mM CaCl2, 0.1 M MES/Imidazole pH 6.7

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X06DA / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 2M-F / Detector: PIXEL / Date: Dec 15, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.2→48.2 Å / Num. obs: 287043 / % possible obs: 99.27 % / Redundancy: 3.4 % / Biso Wilson estimate: 49.15 Å2 / CC1/2: 0.998 / CC star: 0.999 / Rmerge(I) obs: 0.09849 / Rpim(I) all: 0.06235 / Rrim(I) all: 0.1171 / Net I/σ(I): 10.56
Reflection shellResolution: 2.2→2.279 Å / Rmerge(I) obs: 2.133 / Num. unique obs: 14872 / CC1/2: 0.178 / Rpim(I) all: 1.354 / Rrim(I) all: 2.537

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Processing

Software
NameVersionClassification
PHENIX1.18.2_3874refinement
PHENIX1.18.2_3874refinement
XDSdata reduction
SCALAdata scaling
PHENIXphasing
RefinementMethod to determine structure: FOURIER SYNTHESIS
Starting model: 4I4T

4i4t


Resolution: 2.2→48.2 Å / SU ML: 0.39 / Cross valid method: FREE R-VALUE / σ(F): 0.95 / Phase error: 28.7428
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.233 14321 4.99 %
Rwork0.208 272722 -
obs0.2093 287043 95.94 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 69.77 Å2
Refinement stepCycle: LAST / Resolution: 2.2→48.2 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms17102 0 223 342 17667
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.001617729
X-RAY DIFFRACTIONf_angle_d0.463624044
X-RAY DIFFRACTIONf_chiral_restr0.03932618
X-RAY DIFFRACTIONf_plane_restr0.00243110
X-RAY DIFFRACTIONf_dihedral_angle_d15.97296550
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.2-2.230.3984170.38778029X-RAY DIFFRACTION84.99
2.23-2.250.38294930.37519362X-RAY DIFFRACTION98.66
2.25-2.280.38144930.36949317X-RAY DIFFRACTION98.49
2.28-2.310.37674940.36239339X-RAY DIFFRACTION98.84
2.31-2.340.36494840.35349370X-RAY DIFFRACTION98.57
2.34-2.370.36564930.34679357X-RAY DIFFRACTION98.54
2.37-2.40.33874930.3429326X-RAY DIFFRACTION97.99
2.4-2.440.35724780.34299245X-RAY DIFFRACTION97.76
2.44-2.480.35114780.32819152X-RAY DIFFRACTION97.35
2.48-2.520.34234850.32079290X-RAY DIFFRACTION97.47
2.52-2.560.34154810.31019244X-RAY DIFFRACTION97.71
2.56-2.610.32854850.2969273X-RAY DIFFRACTION97.3
2.61-2.660.31174760.2859107X-RAY DIFFRACTION96.24
2.66-2.710.34844790.28598951X-RAY DIFFRACTION94.4
2.71-2.770.2944450.27398558X-RAY DIFFRACTION90.43
2.77-2.840.28924530.26478563X-RAY DIFFRACTION90.46
2.84-2.910.29574520.25848797X-RAY DIFFRACTION93
2.91-2.990.30534240.25818313X-RAY DIFFRACTION87.91
2.99-3.070.2524840.22989069X-RAY DIFFRACTION95.48
3.07-3.170.24614970.21219477X-RAY DIFFRACTION99.38
3.17-3.290.22064950.20869440X-RAY DIFFRACTION99.5
3.29-3.420.22834950.19789331X-RAY DIFFRACTION99.2
3.42-3.570.22284920.19039383X-RAY DIFFRACTION98.78
3.57-3.760.21035030.17889384X-RAY DIFFRACTION98.82
3.76-40.19244890.16189277X-RAY DIFFRACTION98.44
4-4.310.17854990.15629306X-RAY DIFFRACTION98.39
4.31-4.740.15954770.14029137X-RAY DIFFRACTION96.26
4.74-5.420.18784570.15658593X-RAY DIFFRACTION90.78
5.42-6.830.19334530.17568704X-RAY DIFFRACTION91.96
6.83-48.20.17854770.15729028X-RAY DIFFRACTION95.13
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)
11.49838763207-0.043743275953-0.1267770703473.393619858431.355242477293.014562596110.05184399672040.1742933845670.110270959466-0.3044818772140.328398474824-0.439238849014-0.6120210994580.501088363094-0.3217587647940.482339203601-0.09699822206260.1041033470420.510999326708-0.1725505916690.49640736302129.261054755587.051632985155.3970846573
21.57979278671.07671233339-0.2563806210043.742146153151.449893769145.579557054950.316801345735-0.3602167681290.1099861949950.22624095449-0.1504090800080.486118622423-0.126023723052-0.523797389837-0.07108475426360.45694951855-0.007163064263080.08543194111350.377827052812-0.1431264730790.45979109320514.613572931684.761028253971.346026508
30.930855719520.2926702163790.970992565974.588011002841.157006367181.15791799615-0.0563568944993-0.2583654177550.1235514880191.152438749830.01431129883210.569544968348-0.163059819195-0.03630026451530.004378644942070.7892837525930.04048445813360.1621560008150.465193029101-0.1463358961060.49252726643417.738222535387.812656634981.0729374408
40.893512220897-0.119366352163-0.3705528332913.717826936591.731202042353.05445649291-0.0191298268051-0.0676715862282-0.1200137968680.682491013590.22148744949-0.07545859564250.2963571344820.487619064473-0.2178532388880.3884046448060.0378825787576-0.03824159938720.454328206274-0.1079976773060.42958182282125.139920875274.002706339567.0523005881
55.17640633729-2.1657432362-0.08703483421472.920293685650.8097862735874.56201742422-0.01120820553250.15489339630.86588927864-0.469752441115-0.04771052874540.057480430219-1.13025300197-0.163643612760.05569419763030.641213363050.05147365076360.01819892650760.408993323483-0.02777121205880.56472537246915.572676808473.361292421221.7910306604
65.00359209637-3.1455632191-0.8357110406166.02147250521.412235496964.706025568280.352988189571.31677720649-0.0826212948135-1.38701992765-0.4722109366920.483828799923-0.668483901978-0.4609406473070.1454583603460.6078993783510.100339159493-0.06845045961270.671633807227-0.01293661458910.52482297729917.263668416363.380486491510.9742681128
72.20230306664-0.944780277766-0.6768990348263.220261293761.058107482942.970870796960.2492874166980.5582607094450.110791195041-0.594490913651-0.0951918943577-0.321801420947-0.4455168774230.272037151718-0.2182919122360.442585159748-0.04159408731960.07025959622840.563901770175-0.03808762086440.40572823993328.848259495956.822412900514.1810280819
82.00224602335-0.408683009924-0.4554208668732.668730132191.394533140493.15939705390.01657273681080.1086110622710.0627902910429-0.162130088448-0.08475982981010.124998795381-0.0739757447834-0.2110877607940.06506716757840.3141164008760.01913958273480.002694966934530.372025802364-0.1011747594180.36365461861417.053952490954.721905729826.5913070502
93.02418425944-0.5262519109230.5075183476282.5828918603-0.1644242925963.66207248955-0.0886534725594-0.2213162836570.3483553287380.1384307214520.022602040891-0.140449905404-0.135204790663-0.0625619609050.05890882440420.3467154352790.02880302323840.03136592973740.387565128304-0.1648432892570.42860070991318.865734497662.678633092339.2981595213
103.54392928345-1.11217117065-0.2714955145644.002862112310.999345118593.29218581428-0.0127146008680.323540273802-0.208979714203-0.370668589096-0.156432688590.766008201994-0.0818267674555-0.8115403902440.1444234018740.518335269176-0.02059949052350.04091784681420.789837640498-0.2054033239730.618719666698-0.09871724808257.733720078737.8897468242
113.17431010413-0.976392712307-0.2594252264452.844179177140.6781179003823.1827433513-0.274247072793-0.3152974434550.1999280587450.5614644258760.01211546478470.523844215753-0.60897477451-0.9096127223560.1297056539670.5068098898580.1448325878940.03915547763210.688624295605-0.2050647928930.570242112424.1412939819165.922873891246.655631443
121.10704925341-1.0226383155-0.4450133151161.853218603691.589032398842.8953173809-0.0710668058818-0.1612185401690.06457638611380.465797559198-0.1559433511840.3082004794550.138596092024-0.2636559339890.2160021730730.313517699923-0.0446747711030.03146944142880.479176912851-0.1206380114140.48666896936811.817584183953.08711904738.9593493287
130.265314261964-0.843979498253-0.4311747010654.609946279553.39381166425.29767727565-0.123104069733-0.206328878683-0.2008860317320.7177167764290.11716488129-0.0867828705590.92597948310.46349200709-0.1184346816170.4165087234887.37806234322E-5-0.05194123228680.516126264501-0.04570507143340.48546950360525.361967081638.700323203230.8075187134
141.8970917593-0.3545733293530.06740496672792.675489786720.3414757708531.72444601954-0.03238528041230.2776804787870.144184152821-0.3422952118930.0518284772045-0.0610912344011-0.198988724940.0623581153161-0.01449497832790.326794062048-0.06074511135830.02277642661210.353741520448-0.02131898004140.31061837765919.583636973333.0877560657-11.8788335151
151.54966726188-0.7777193649370.384681627561.252259593710.5265462695442.211946655390.0224397023914-0.003788309945360.01319110205730.0275470397796-0.1324978493780.236559165959-0.00580463385802-0.4556134913940.116129814630.290401880254-0.0309020395660.01673900911820.374306009976-0.0436184471330.4049441495263.0163732103829.04200527670.69544946235
162.37898272571-1.053607967920.590196632722.139521362830.4394134795962.84133476799-0.0926124814207-0.1607237099130.0320421935980.00300542100896-0.02226918712490.365666743306-0.0422828839384-0.3657943849890.1748069781320.331196535192-0.05377680937670.004238776951860.386283867197-0.07723597580790.4416974199010.53331252855435.24413803069.07725877172
171.33544397303-0.664666499034-0.4046630830081.980255413581.110176968461.97765108779-0.135238744606-0.104301919381-0.1717379616090.3165573707070.141440595481-0.07007063468740.4337065881180.216086739538-0.03037080790430.395961886851-0.0106246660048-0.01372659646150.313148727427-0.03002933318430.40743290762919.648921056813.76861590123.04612836495
184.37987673553-1.12568456217-0.9597106371993.719235169370.5687485902022.16393067115-0.2137476179321.721334387330.250795035406-0.9822926255190.258226820380.1768849397060.235332090586-0.511479503044-0.06177780816650.837718550287-0.291826477526-0.02655340025811.21303627450.0167480181080.44909445979117.03901896098.48101626774-43.9239142576
192.450506218010.360337805568-0.0309710565631.859098206390.2901107885572.32735002679-0.4309671310861.02736047603-0.474087758172-0.5142088586590.367429251158-0.2348960474180.569728362809-0.05402252669060.004975302279820.772778145489-0.2026529008440.1513189515540.849405632309-0.3039714953730.53240498465523.6645276975-4.55125230768-35.8719299144
204.61039296009-0.5018761766680.7317000460973.583602257260.4902446997592.39004552448-0.169206608880.53511641515-0.239622192795-0.4312126717130.1294767833850.126694635060.354894413514-0.2754349211690.09207812378270.516033722714-0.1134668402170.03906682412110.56704942785-0.1037925752990.39454659249210.99538183932.14248957007-23.1830967312
212.56212943351-0.171409991111-0.9446271199342.803519492220.2480261742973.38559837413-0.2808763160430.479102554796-0.334824125482-0.03806761391360.2593949172570.1740704738780.440214500565-0.4954174180280.04448792265360.581495028685-0.1792303158310.0494154135420.573217211772-0.1317397230040.4730409887038.01054011075-3.71968830834-20.5511863784
221.01169053662-0.6265501029430.6712990370772.10720036645-0.05015441259061.74392875546-0.4900685182550.424039809853-1.12908251898-0.0611012108847-0.04185653641570.04677106833510.8117334303810.2642054530510.1291373264570.938504105232-0.04188086697270.1898840677890.619390529986-0.3666775144020.94196596235830.2229336626-17.5676234044-23.1963001087
237.05678873122-2.556507012262.709971515649.32345098557-3.721202071772.07994420772-0.0459863125132-0.3318870190280.857579699530.5987204775430.0621835497534-0.591020896614-0.7602088942610.811482792263-0.06631504307420.960417102192-0.2282282319480.09203833240130.724866524257-0.2560355952930.69128903534725.95032495699.818044475582.6521402998
241.9246389709-0.3638072891251.253394670061.88021810802-0.6210777179850.8974944924820.0260406072759-0.508900121868-0.3739527927480.6993526187980.59793125755-0.694223443095-0.09866753911250.595580132729-0.5513370120351.195020800190.0861568213941-0.1349740471180.919557743046-0.2382915634010.96625741712832.618431739382.984499049982.5292697586
250.733446202184-0.324826189424-0.5468458191720.06369459083970.08880665668230.541066864453-0.051629521876-0.06063686258830.08184655501320.203180862580.278081847827-0.3244484303160.2667617229860.437218341031-0.2919282532020.4695268368940.05455810922740.04689614921620.664960388067-0.152606629290.61807230345442.618951934628.92505606875.24476171122
263.92024846130.765387064654-2.086092542653.729049849010.5531638201434.5959271766-0.3762696738150.392468738603-0.8013885369360.2582890426950.0233001165719-0.1527544039421.53954001962-0.4699273585540.2767755463610.922376002616-0.1132122110820.161717981890.543582704071-0.1540608667170.6655405951526.2942754637655.614234606269.6397600105
273.462952459860.5808534270072.482390500712.87434023728-1.555224312297.5820058171-0.179951792558-0.400705955798-0.5179001732540.01568270423710.018601586323-0.7510517784850.6219072368071.495996216220.1324790480430.6920425733560.1399816818530.07706137699190.9480458066880.05591199028220.79706290100613.875182295863.757667597793.3695609199
283.47154048210.3241102073183.002797558494.01173107762-2.127826233354.06306888372-0.186810156137-0.9401246166150.2091070400410.431872570598-0.252559194975-0.316134067454-0.1700649982011.450325188210.1342636562290.9001251763190.3273760375040.04714857929821.183689573430.1626521039370.65959854131712.924784623665.5783404477102.702143275
291.141625255040.622984341928-0.3532015014491.192488743450.06288722415342.0769336596-0.265684240296-0.738823247509-1.184421347330.7671853596510.0566225808191-0.7228774455621.225494858481.306996598750.3678297745211.422786535050.525720970530.1142779171071.141034733130.4444953041711.164559718239.8923504996651.2648051903105.49671771
301.40003352221-0.199499190392-1.005963266261.52208622037-0.3754902673291.41197743557-0.722158832913-0.240364368828-1.139267871220.3808958557480.179448443475-0.186368092511.298496882630.3476964721310.4942223962951.617231755140.1797842681740.4037486295710.7571780245580.184700205171.26349064345-1.259002087245.860900091199.4449240829
313.630673955560.285429510449-2.889617893970.9279993165870.2484648156364.27780558993-0.419294049109-0.409707443917-0.5071101935690.2944409450950.2184534526510.06984612935960.8093672901920.1698989379060.1152038759690.8893413267030.1643419929910.1245621021120.4752375506070.08000837737980.5944250510580.58483386528861.763145889293.0155533127
324.320677525090.132147778805-2.120294644781.90792242909-0.2534647724725.8234956417-0.4709376916420.771181841726-0.760036910824-0.1853943771610.3013612341920.3855510403230.937412982118-0.9084905324870.2982198508590.764138385633-0.1596059840750.1483115231470.752884670633-0.06243321126620.768585942357-7.378364770557.187456756379.5034166888
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 1 through 259 )AA1 - 2591 - 259
22chain 'A' and (resid 260 through 306 )AA260 - 306260 - 306
33chain 'A' and (resid 307 through 338 )AA307 - 338307 - 342
44chain 'A' and (resid 339 through 437 )AA339 - 437343 - 441
55chain 'B' and (resid 1 through 64 )BE1 - 641 - 62
66chain 'B' and (resid 65 through 88 )BE65 - 8863 - 86
77chain 'B' and (resid 89 through 127 )BE89 - 12787 - 125
88chain 'B' and (resid 128 through 243 )BE128 - 243126 - 241
99chain 'B' and (resid 244 through 273 )BE244 - 273242 - 271
1010chain 'B' and (resid 274 through 311 )BE274 - 311272 - 309
1111chain 'B' and (resid 312 through 338 )BE312 - 338310 - 336
1212chain 'B' and (resid 339 through 401 )BE339 - 401337 - 391
1313chain 'B' and (resid 402 through 438 )BE402 - 438392 - 428
1414chain 'C' and (resid 1 through 199 )CK1 - 1991 - 203
1515chain 'C' and (resid 200 through 311 )CK200 - 311204 - 317
1616chain 'C' and (resid 312 through 372 )CK312 - 372318 - 380
1717chain 'C' and (resid 373 through 440 )CK373 - 440381 - 448
1818chain 'D' and (resid 1 through 88 )DO1 - 881 - 86
1919chain 'D' and (resid 89 through 243 )DO89 - 24387 - 241
2020chain 'D' and (resid 244 through 295 )DO244 - 295242 - 284
2121chain 'D' and (resid 296 through 399 )DO296 - 399285 - 380
2222chain 'D' and (resid 400 through 441 )DO400 - 441381 - 422
2323chain 'E' and (resid 6 through 20 )ES6 - 201 - 15
2424chain 'E' and (resid 21 through 46 )ES21 - 4616 - 26
2525chain 'E' and (resid 47 through 141 )ES47 - 14127 - 121
2626chain 'F' and (resid 1 through 66 )FT1 - 661 - 66
2727chain 'F' and (resid 67 through 83 )FT67 - 8367 - 83
2828chain 'F' and (resid 84 through 144 )FT84 - 14484 - 103
2929chain 'F' and (resid 145 through 207 )FT145 - 207104 - 150
3030chain 'F' and (resid 208 through 275 )FT208 - 275151 - 218
3131chain 'F' and (resid 276 through 339 )FT276 - 339219 - 282
3232chain 'F' and (resid 340 through 380 )FT340 - 380283 - 314

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