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- PDB-8fj0: Crystal Structure of the Tick Evasin EVA-AAM1001(Y44A) Complexed ... -

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Basic information

Entry
Database: PDB / ID: 8fj0
TitleCrystal Structure of the Tick Evasin EVA-AAM1001(Y44A) Complexed to Human Chemokine CCL2
Components
  • C-C motif chemokine 2
  • Evasin P1243
KeywordsCYTOKINE / Tick / Evasin / Chemokine / Anti-inflammatory
Function / homology
Function and homology information


helper T cell extravasation / chemokine (C-C motif) ligand 2 signaling pathway / negative regulation of chemokine activity / positive regulation of NMDA glutamate receptor activity / CCR2 chemokine receptor binding / negative regulation of natural killer cell chemotaxis / chemokine binding / astrocyte cell migration / negative regulation of glial cell apoptotic process / CCR chemokine receptor binding ...helper T cell extravasation / chemokine (C-C motif) ligand 2 signaling pathway / negative regulation of chemokine activity / positive regulation of NMDA glutamate receptor activity / CCR2 chemokine receptor binding / negative regulation of natural killer cell chemotaxis / chemokine binding / astrocyte cell migration / negative regulation of glial cell apoptotic process / CCR chemokine receptor binding / positive regulation of apoptotic cell clearance / ATF4 activates genes in response to endoplasmic reticulum stress / NFE2L2 regulating inflammation associated genes / chemokine-mediated signaling pathway / C-C chemokine binding / eosinophil chemotaxis / cellular homeostasis / negative regulation of vascular endothelial cell proliferation / chemokine activity / Chemokine receptors bind chemokines / negative regulation of G1/S transition of mitotic cell cycle / Interleukin-10 signaling / positive regulation of macrophage chemotaxis / positive regulation of calcium ion import / chemoattractant activity / macrophage chemotaxis / monocyte chemotaxis / humoral immune response / cellular response to interleukin-1 / G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger / cellular response to fibroblast growth factor stimulus / positive regulation of endothelial cell apoptotic process / cell surface receptor signaling pathway via JAK-STAT / sensory perception of pain / cytoskeleton organization / positive regulation of synaptic transmission, glutamatergic / viral genome replication / animal organ morphogenesis / response to bacterium / cytokine-mediated signaling pathway / cellular response to type II interferon / positive regulation of T cell activation / antimicrobial humoral immune response mediated by antimicrobial peptide / chemotaxis / cellular response to tumor necrosis factor / regulation of cell shape / cellular response to lipopolysaccharide / Interleukin-4 and Interleukin-13 signaling / angiogenesis / negative regulation of neuron apoptotic process / cell surface receptor signaling pathway / protein kinase activity / cell adhesion / positive regulation of cell migration / protein phosphorylation / G protein-coupled receptor signaling pathway / inflammatory response / signaling receptor binding / positive regulation of gene expression / signal transduction / extracellular space / extracellular region
Similarity search - Function
Evasins Class A / Evasins Class A / CC chemokine, conserved site / Small cytokines (intercrine/chemokine) C-C subfamily signature. / Chemokine beta/gamma/delta / Intercrine alpha family (small cytokine C-X-C) (chemokine CXC). / Chemokine interleukin-8-like domain / Chemokine interleukin-8-like superfamily / Small cytokines (intecrine/chemokine), interleukin-8 like
Similarity search - Domain/homology
Evasin P1243 / C-C motif chemokine 2
Similarity search - Component
Biological speciesAmblyomma americanum (Lone Star tick)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.91 Å
AuthorsDevkota, S.R. / Bhusal, R.P. / Aryal, P. / Wilce, M.C.J. / Stone, M.J.
Funding support Australia, 1items
OrganizationGrant numberCountry
National Health and Medical Research Council (NHMRC, Australia)APP1140867 Australia
CitationJournal: Nat Commun / Year: 2023
Title: Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins.
Authors: Devkota, S.R. / Aryal, P. / Pokhrel, R. / Jiao, W. / Perry, A. / Panjikar, S. / Payne, R.J. / Wilce, M.C.J. / Bhusal, R.P. / Stone, M.J.
History
DepositionDec 18, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 29, 2023Provider: repository / Type: Initial release
Revision 1.1Jul 26, 2023Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2Oct 16, 2024Group: Data collection / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Evasin P1243
B: Evasin P1243
C: Evasin P1243
D: C-C motif chemokine 2
F: C-C motif chemokine 2
E: C-C motif chemokine 2


Theoretical massNumber of molelcules
Total (without water)59,6516
Polymers59,6516
Non-polymers00
Water19811
1


  • Idetical with deposited unit
  • defined by author
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)82.446, 49.636, 88.319
Angle α, β, γ (deg.)90.000, 112.910, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and ((resid 17 and (name N or name...
d_2ens_1(chain "B" and ((resid 17 and (name N or name...
d_3ens_1(chain "C" and (resid 17 through 19 or (resid 20...
d_1ens_2(chain "D" and (resid 9 through 18 or (resid 20...
d_2ens_2(chain "E" and ((resid 9 and (name N or name...
d_3ens_2(chain "F" and (resid 9 through 16 or (resid 17...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1TYRTHRA1 - 58
d_12ens_1PROLYSA60 - 85
d_21ens_1TYRTHRB2 - 59
d_22ens_1PROLYSB61 - 86
d_31ens_1TYRLYSC1 - 84
d_11ens_2VALARGD3 - 22
d_12ens_2ILEGLND24 - 63
d_21ens_2VALARGF2 - 11
d_22ens_2ILEARGF13 - 22
d_23ens_2ILEGLNF24 - 63
d_31ens_2VALARGE1 - 10
d_32ens_2ILEGLNE12 - 61

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(0.68119978689, 0.0237659606257, 0.731711711985), (0.0198626216474, -0.999704989584, 0.0139789149455), (0.731828071751, 0.00501127900832, -0.681470880141)17.3036861291, 4.09915016384, -40.5143074711
2given(-0.0802613125716, -0.00236715573636, -0.996771046067), (-0.000116741321332, 0.999997195583, -0.00236541710907), (0.996773850016, -7.34871129695E-5, -0.0802613638303)-23.8173979239, 0.0106021174519, -40.7408991135
3given(0.672013229888, -0.0174057022627, 0.740334559766), (-0.00780464562844, -0.999834684043, -0.0164223046799), (0.740498012396, 0.00525795712465, -0.672037980716)16.6699067903, -45.4487952623, -40.6100409765
4given(-0.0707355656328, -0.00875107031474, -0.997456715112), (0.0157095032576, 0.999827725147, -0.00988592605045), (0.997371390838, -0.0163688360863, -0.070585904706)-23.8639644026, -0.0138606799122, -41.0687438238

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Components

#1: Protein Evasin P1243


Mass: 11210.546 Da / Num. of mol.: 3 / Mutation: Y44A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Amblyomma americanum (Lone Star tick) / Production host: Escherichia coli (E. coli) / References: UniProt: A0A0C9S461
#2: Protein C-C motif chemokine 2 / HC11 / Monocyte chemoattractant protein 1 / Monocyte chemotactic and activating factor / MCAF / ...HC11 / Monocyte chemoattractant protein 1 / Monocyte chemotactic and activating factor / MCAF / Monocyte chemotactic protein 1 / MCP-1 / Monocyte secretory protein JE / Small-inducible cytokine A2


Mass: 8673.009 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CCL2, MCP1, SCYA2 / Production host: Escherichia coli (E. coli) / References: UniProt: P13500
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 11 / Source method: isolated from a natural source / Formula: H2O
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: 2.79 Å3/Da / Density % sol: 55.92 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / Details: 2 M NH4SO4, 0.1 M bis-tris, Ph 5.6

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.953 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Aug 3, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.953 Å / Relative weight: 1
ReflectionResolution: 2.89→47.11 Å / Num. obs: 14772 / % possible obs: 98.5 % / Redundancy: 6.6 % / Biso Wilson estimate: 55.65 Å2 / CC1/2: 0.971 / Net I/σ(I): 5.4
Reflection shellResolution: 2.89→3.07 Å / Num. unique obs: 2250 / CC1/2: 0.475

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Processing

Software
NameVersionClassification
PHENIX1.18.2_3874refinement
PHENIX1.18.2_3874refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.91→43.61 Å / SU ML: 0.4718 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 34.28
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2842 814 5.56 %
Rwork0.2537 13825 -
obs0.2554 14639 99.07 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 62.49 Å2
Refinement stepCycle: LAST / Resolution: 2.91→43.61 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms2875 0 0 11 2886
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00282924
X-RAY DIFFRACTIONf_angle_d0.69984021
X-RAY DIFFRACTIONf_chiral_restr0.0396493
X-RAY DIFFRACTIONf_plane_restr0.0034533
X-RAY DIFFRACTIONf_dihedral_angle_d12.1589861
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.606019189872
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS1.32098597296
ens_2d_2DX-RAY DIFFRACTIONTorsion NCS0.954853320542
ens_2d_3DX-RAY DIFFRACTIONTorsion NCS0.64312428858
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.91-3.090.41051290.36632301X-RAY DIFFRACTION99.31
3.09-3.330.33691510.29652257X-RAY DIFFRACTION98.97
3.33-3.670.29081190.24882277X-RAY DIFFRACTION98.56
3.67-4.20.28891540.23152262X-RAY DIFFRACTION98.53
4.2-5.280.25491240.21432345X-RAY DIFFRACTION99.96
5.29-43.610.24211370.25422383X-RAY DIFFRACTION99.1
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)
14.94987287254-0.303891730096-0.641186202624.570789880942.802027554033.83219202731-0.343137664211-0.1603183546470.0512378822223-0.0370919078006-0.203605618120.183449486507-0.010768711076-0.2076089362090.3827711170611.153210938380.1430822627230.08887994156010.380470539211-0.1245180823870.5112072884217.202-26.0622.71
20.8015023707330.404764747022-0.2279744969120.3374222795470.007162075045020.5723531618070.1230992253690.154185562460.169032566312-0.2247917035370.0611255676232-0.0443752243239-0.049780226955-0.06863970590040.2210029468810.883976561730.06290814368550.1302956970930.009662843785470.229903839433-0.002985260246855.008-8.256-15.82
30.222015904693-0.08764858594130.8044720016980.0764458396056-0.3419760474273.752228540130.0764914353504-0.5474214475360.01520546241310.3547531224220.06287622631610.1679142329910.3472302146370.2972882746140.1341530896450.532618821184-0.00586397573590.1081355762640.4025187108880.02857637386060.3618365329631.61-10.237-2.895
43.206847395422.43670621761-1.581681851232.12963805623-1.201914421881.43279653351-0.337025441569-0.122833719893-0.288515961334-0.4641099272820.0543904491888-0.2852241662590.01049094499870.0387585456350.2077735068341.180554419060.03959653574160.2754744793330.3930475533490.007828948031460.377636832412.233-14.5642.325
50.177150084550.328914719415-0.2455098771351.35012174424-0.6605548175410.403281244662-0.00535108560191-0.0365768162170.1644932383320.160029751493-0.09188290863070.0341353322038-0.1891563934670.0830389560374-0.4740958319060.828046010755-0.2061302398180.02515558283090.1954393411270.03887930558910.1877521764010.93-3.516-8.254
61.399302806631.38896863309-0.4045230248681.41559698124-0.8660841242365.911058910880.212156502589-0.2599643308160.2834888104420.274379056562-0.195990802570.0999727014194-1.02698089486-0.743712919952-0.2058826829621.152283763150.2265945334370.1249094760920.6670115620690.07159564578320.274533104858-7.699-6.421-20.71
73.604195259960.960867147213-2.084526802032.28753385169-1.132220591543.724839627750.0991852260352-0.383649850796-0.0985215326936-0.1446878126730.08286634441510.02073976211880.536044690325-0.446638527942-0.1355552016280.577258310982-0.01009157842450.2053322584890.2109910742070.03625824174550.1159029991693.1990.298-10.415
80.989910974161-0.1702931293840.5661579794211.41846339395-1.582641247271.909184273460.0978283988699-0.447024264865-0.3252731888470.09874562583220.032260641112-0.0204500606450.60952923277-0.1317344770540.002807971017590.850275063823-0.0435085869030.1151370557410.3335795427690.05994217647420.1986951282844.1941.136-2.979
90.09780765006320.173476173897-0.06825938768670.289155810699-0.1191659506080.04973263357250.008982497909310.06991019760980.0926426954759-0.112302441996-0.0810582402888-0.246676957911-0.1445184646760.1501911267040.05951390140841.10029838797-0.1782329009250.1931799616010.05663825139670.1294567826630.3127429623411.769-0.253-17.189
103.539381325231.30444489502-0.7364570153460.5829138446520.4477813645585.353058401290.06459897313970.233391214104-0.340931748695-0.2105320374710.0143959087067-0.2634338178790.139686178025-0.0054398406707-0.02317885334821.0796449709-0.02123039898520.1531764276310.374109296715-0.05993343708430.3272166418123.99430.387-37.141
110.597669644963-0.0135780391236-0.4851253011281.19928347156-1.71440038223.127019703520.05596164161210.172259643908-0.03612748118410.08708885680510.1996085929140.0885038231031-0.2617278499770.0833494387034-0.120541960630.429307008762-0.02703860862590.06688736970280.3306209437770.04026373763650.1943175235179.09412.552-26.258
121.21968288883-0.204391119499-0.6775823864272.117301607382.64915446943.463098667290.12943849298-0.03417786474510.129105356494-0.2073880948020.200905045016-0.168883934915-0.2664534888750.293651521817-0.03097411262410.8533331750650.1367361302930.02525956301870.28249971634-0.1590593166050.10660894663515.3813.586-38.17
130.0187227843611-0.2052686527690.02732387588183.49121368535-1.019562308490.454579928646-0.1137364514430.2720385409710.0719431491790.5203735625510.0434834554739-0.1908728041530.1951078160030.3052995464590.1124004065250.422528007828-0.05494019916630.004080264594610.428870492977-0.100317140430.36425315239219.92120.036-40.137
140.09357610017190.10679404608-0.0257882765420.120068788998-0.0277924428780.0542840989950.05074270882240.0757766158552-0.0333916089456-0.03104160897820.0236786720473-0.0516073661499-0.03880637428660.001735178275560.1619477987240.7844720429850.0608558761085-0.09943704328650.04405758449930.7605868478540.27564480240815.37.973-32.125
159.233681166012.301215434855.255367320717.181784204964.122093312824.187925729170.139084150882-0.334790701015-0.02957935401590.758527681007-0.6683587368370.6272336989260.399292985027-1.070406378570.5394279140450.801530728347-0.2505334426190.1059166399210.460773303412-0.1671704368770.4258250333381.3967.309-39.775
163.18154681820.063211693453-1.084845620310.1593350865750.457323993091.818408688780.4218359371430.2471460389450.463317236448-0.1802635700120.0248452448199-0.220179212149-0.779298695072-0.762371458697-0.2400549643840.788750963209-0.007639549205740.2726801631630.802790246691-0.2782550530910.584570554093-3.139.113-30.475
170.207562388002-0.1487672253640.08055240377131.09237789448-0.2114275497450.4117965224830.108696446935-0.004834815204870.0140841979391-0.09578691600230.0821154033576-0.0314528427228-0.0484179822181-0.05671625803460.5639550339691.183422215580.02055801278530.1160922811940.1355407107730.0908217395010.20716856663715.1863.354-32.96
180.642709524712-0.254655299211-0.4003913393840.3576324329240.2535345374181.19963259041-0.0551849885018-0.021946419083-0.0372863053566-0.0929307907859-0.0306416946872-0.0448772770010.0352245644104-0.0606408813832-0.2605822895461.21561895961-0.08537484565090.380729781260.35716210879-0.05630150688450.3627192774895.7925.125-27.708
197.099441023025.14059832024-1.54414852895.06736200157-0.9927801093260.3400609306170.399033589681-0.0913260676303-0.4632535217020.231724911975-0.3032454061530.3067171554420.142747818550.02363196243060.02784744105390.906482362544-0.196219228881-0.2605741545380.414806848484-0.1042022100180.50018931653-22.218-21.367-34.832
200.365430750184-0.988067765254-0.08731616048813.576287478951.828897007273.16711422225-0.180231612288-0.09913896314580.0664706976138-0.6765497273350.3191010988120.015524860763-0.3919162051830.118684428884-0.1093099184020.9844382563380.06669204726710.01738908632460.481477905130.02320567168210.399933491831-16.69-8.777-35.073
215.57695251523-0.9243825708815.378506581928.41400153628-5.980750067749.20220291023-0.075151907010.80574282357-0.0202734394278-1.16947871711-0.151237235844-0.659589990760.489474260059-0.1073532748270.1918883586070.637486124250.0791482859245-0.1034060021570.564202139279-0.2146981845540.600819202189-13.146-2.401-43.476
226.968549086825.000113602263.47100638595.834672710780.2643920074393.934503050770.3692891326070.167152870580.293719343841-0.271299821334-0.1677673565190.58147135675-0.219445398178-0.243330559002-0.1459292409560.5272893442750.374324433580.1217820973041.27562829422-0.09950911086971.17816509975-2.759-5.427-45.3
231.72792702764-2.77510908849-0.3203691625045.995007242031.952209846883.223007816410.454242127821-0.06683565623950.312230093539-0.1391589147590.37636725692-0.818470972503-0.214959444128-0.00303796121131-0.6300150473631.22317467762-0.121168395340.1983442776080.420012025247-0.06143860059590.497431492923-13.6290.776-36.736
240.77810473397-1.567346877851.750546192456.02165087545-4.731842386535.11729353775-0.0556553823365-0.1658710186650.08167230357330.395751444993-0.387650034775-0.240116982554-0.7317020295120.5612990654250.1344620052550.924662642003-0.1150565707280.3110783177340.4616592060880.08524752580090.47064305907513.445-21.429-2.846
250.01096067731190.0785756251351-0.04674872750160.397247244515-0.2304706485490.1364692487630.1520505654020.09460001714330.0869229170136-0.207144844081-0.152415523744-0.0686337398850.07927288120640.0329791769606-0.03692332033411.166686719480.1193160915270.4378030823140.180159830704-0.08525244077050.42530236601612.774-21.415-12.651
260.1105563459470.07674692576760.07401500313740.1302010508930.03771693430690.0530982513064-0.01318737179060.0662108262773-0.1097835426260.01718016357070.1154065951-0.1209289388870.07471398709690.05726363505610.2593523203610.814054047457-0.01956090948620.2499760347890.164527632696-0.05918435106140.3180231380597.791-29.026-4.481
276.69623474720.638075848013-2.601398051523.37955057659-3.840601360024.90026344836-0.1845145681420.0368123278852-0.0246425097181-0.24533921151-0.478195213335-0.44474183570.05789447110290.6124573121410.4924275050861.31666997334-0.08814183896640.00858013950120.5446061391030.1515945295470.38528731055218.938-20.511-6.996
280.9173609095710.6029225021270.603738353822.392985785991.329398428011.279785289550.09381508668630.3552208900060.0877377646834-0.0628539508982-0.0548143581974-1.378026624150.4155921755160.434246030309-0.2002567436270.8636014834690.4380095046620.3456298000430.6886686113360.2939862013580.98887206108620.742-31.071-8.682
291.4965737830.1239494515451.438923587331.966102650053.290203751728.78251528867-0.632098734837-0.0724344784753-0.07471161030921.056922509740.441015886472-0.07952775169591.23303832060.7202520900270.1860243094531.519249458290.3369755168360.2908737548620.5327501589310.1017970748691.0545605704216.395-43.515-19.359
306.37445896525-0.359057212482-0.7375856849623.884911874021.094198852534.18462864409-0.528300021289-0.674953571587-0.01825772291750.7410960158460.2927581975810.1746678642580.511933781893-0.8240128716020.2740770066231.765204736430.03769344465180.02200637403360.725506636973-0.04664577624370.543565459822-19.383-16.286-28.929
318.01514913924-1.525553081483.518175323792.09129612371.377238748673.869295358250.0296678079199-0.952167793854-0.4751969684780.266612313204-0.121690566557-0.3422842920840.0660328362332-0.02639610581680.1610210438260.849302662136-0.140310931843-0.2892165618470.9378394796840.4709010321571.0746665341-19.043-30.108-26.476
321.883383233530.660258317353-0.03454817249032.68396161207-0.5173528131543.575321763310.528038437550.031545290821-0.9055576987820.3332898393470.419656333684-0.3751315003411.380784048360.51786592248-0.6898453678090.931700420137-0.121491696812-0.3309152540460.622715775082-0.07129587554330.388508917453-10.566-13.616-26.661
332.09886893529-0.93533039517-0.5522804625654.1316094872-2.216731472681.778908088140.122002658891-0.05539945657250.3555674455260.257878396789-0.152412404627-0.6486039966950.182841124199-0.03654208252830.145591324931.34221896312-0.0576579374658-0.1470805344650.2362276781230.03684075652110.690039091675-19.126-26.615-31.287
340.0165111791368-0.0947900277099-0.04977500531550.8142782924570.3863869417070.1853290470840.409514561398-0.104198522077-0.3841809902960.292879651797-0.284897722444-0.01305449356160.868297455624-0.271753962027-0.2532828513672.31969713074-0.157340660406-0.4559629541780.762154614545-0.04295160305170.728798014624-16.849-28.77-19.14
352.492623450712.990379464271.884520622763.809410669192.614639687773.064941953240.06100770414160.2573062740850.0260276545165-0.4524425470060.286098050549-0.483780447321-0.05633508601410.695017471525-0.5374598222841.117414808430.1695812315010.333992459190.498370125463-0.03716373417550.5186058866220.956-26.822-28.431
361.69714229316-0.2013189897080.7043428511875.53079335739-2.593730080443.21021612747-0.0495985225494-0.0810335508056-0.2659582060560.174917876698-0.288115282381-0.456562508198-0.1034193350550.1614142797680.2105375823730.8171892182080.112479568360.1642818037790.1728630834360.1930358051130.56260817759820.865-13.535-27.063
370.7197791314040.0780769391639-0.2398746518760.2856979858050.2843048533170.4265010639620.0529929299695-0.05021258077040.06931154692940.4309056495630.2312945087260.9354958439230.08104586623660.0313951382116-0.1752906081831.38337788663-0.1898906269910.1158528844420.6881654989790.3736127327350.94688727731311.758-28.183-19.941
380.3351826741690.1867784196010.2502802266160.6390112932190.5217752356310.4597080217990.108699922816-0.0342042110245-0.1104699944770.247205076555-0.07479408068530.09063289149290.346763340878-0.062689928002-0.005318800796751.047233290780.002264622509510.2649330911480.0813844561874-0.008280279408170.33325294948718.235-24.622-25.124
392.089833532421.35782832408-0.5581043595623.21449951252-0.8462551476760.254057265127-0.0224815552588-0.468131263552-0.4088968290621.15878362666-0.193429066175-0.3375239121070.128804728591-0.015628782597-0.04529401516241.23776554259-0.09804719825190.1815810948910.132758262082-0.01718473806610.49649362053621.197-20.489-28.436
400.05100884937480.0898267549152-0.1333891802530.159269850948-0.2296279754310.3264953798820.124235989411-0.07499034059330.2997109946220.2659227371070.0803183488625-0.252421915547-0.212913699619-0.0828930933234-0.07388077682511.09633052378-0.05737548097980.2186189534950.248232332979-0.1412299044830.74409203544123.629-12.968-19.618
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 17:26 )A17 - 26
2X-RAY DIFFRACTION2( CHAIN A AND RESID 27:41 )A27 - 41
3X-RAY DIFFRACTION3( CHAIN A AND RESID 42:48 )A42 - 48
4X-RAY DIFFRACTION4( CHAIN A AND RESID 49:54 )A49 - 54
5X-RAY DIFFRACTION5( CHAIN A AND RESID 55:70 )A55 - 70
6X-RAY DIFFRACTION6( CHAIN A AND RESID 71:77 )A71 - 77
7X-RAY DIFFRACTION7( CHAIN A AND RESID 78:86 )A78 - 86
8X-RAY DIFFRACTION8( CHAIN A AND RESID 87:92 )A87 - 92
9X-RAY DIFFRACTION9( CHAIN A AND RESID 93:101 )A93 - 101
10X-RAY DIFFRACTION10( CHAIN B AND RESID 17:26 )B17 - 26
11X-RAY DIFFRACTION11( CHAIN B AND RESID 27:41 )B27 - 41
12X-RAY DIFFRACTION12( CHAIN B AND RESID 42:47 )B42 - 47
13X-RAY DIFFRACTION13( CHAIN B AND RESID 48:54 )B48 - 54
14X-RAY DIFFRACTION14( CHAIN B AND RESID 55:65 )B55 - 65
15X-RAY DIFFRACTION15( CHAIN B AND RESID 66:71 )B66 - 71
16X-RAY DIFFRACTION16( CHAIN B AND RESID 72:78 )B72 - 78
17X-RAY DIFFRACTION17( CHAIN B AND RESID 79:92 )B79 - 92
18X-RAY DIFFRACTION18( CHAIN B AND RESID 93:102 )B93 - 102
19X-RAY DIFFRACTION19( CHAIN C AND RESID 17:31 )C17 - 31
20X-RAY DIFFRACTION20( CHAIN C AND RESID 32:59 )C32 - 59
21X-RAY DIFFRACTION21( CHAIN C AND RESID 60:71 )C60 - 71
22X-RAY DIFFRACTION22( CHAIN C AND RESID 72:78 )C72 - 78
23X-RAY DIFFRACTION23( CHAIN C AND RESID 79:101 )C79 - 101
24X-RAY DIFFRACTION24( CHAIN D AND RESID 11:24 )D11 - 24
25X-RAY DIFFRACTION25( CHAIN D AND RESID 25:42 )D25 - 42
26X-RAY DIFFRACTION26( CHAIN D AND RESID 43:51 )D43 - 51
27X-RAY DIFFRACTION27( CHAIN D AND RESID 52:57 )D52 - 57
28X-RAY DIFFRACTION28( CHAIN D AND RESID 58:69 )D58 - 69
29X-RAY DIFFRACTION29( CHAIN D AND RESID 70:75 )D70 - 75
30X-RAY DIFFRACTION30( CHAIN F AND RESID 9:18 )F9 - 18
31X-RAY DIFFRACTION31( CHAIN F AND RESID 19:31 )F19 - 31
32X-RAY DIFFRACTION32( CHAIN F AND RESID 32:40 )F32 - 40
33X-RAY DIFFRACTION33( CHAIN F AND RESID 41:53 )F41 - 53
34X-RAY DIFFRACTION34( CHAIN F AND RESID 54:70 )F54 - 70
35X-RAY DIFFRACTION35( CHAIN E AND RESID 8:21 )E8 - 21
36X-RAY DIFFRACTION36( CHAIN E AND RESID 22:29 )E22 - 29
37X-RAY DIFFRACTION37( CHAIN E AND RESID 30:35 )E30 - 35
38X-RAY DIFFRACTION38( CHAIN E AND RESID 36:45 )E36 - 45
39X-RAY DIFFRACTION39( CHAIN E AND RESID 46:57 )E46 - 57
40X-RAY DIFFRACTION40( CHAIN E AND RESID 58:72 )E58 - 72

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