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- PDB-8f8w: Crystal structure of Nb.X0 bound to the afucosylated human IgG1 f... -

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Basic information

Entry
Database: PDB / ID: 8f8w
TitleCrystal structure of Nb.X0 bound to the afucosylated human IgG1 fragment crystal form I
Components
  • Nb.X0
  • afucosylated IgG1 fragment
KeywordsIMMUNE SYSTEM / nanobody / glycobiology / immunoglobulin
Function / homology
Function and homology information


metal ion binding / plasma membrane
Similarity search - Function
: / Immunoglobulin V-Type / Immunoglobulin V-set domain / Immunoglobulin V-set domain / Immunoglobulin subtype / Immunoglobulin / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set ...: / Immunoglobulin V-Type / Immunoglobulin V-set domain / Immunoglobulin V-set domain / Immunoglobulin subtype / Immunoglobulin / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
Uncharacterized protein DKFZp686C11235
Similarity search - Component
Biological speciesHomo sapiens (human)
Camelidae mixed library (mammal)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.71 Å
AuthorsGoldgur, Y. / Ravetch, J. / Gupta, A. / Kao, K. / Oren, D.
Funding support United States, 3items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)T32GM007739 United States
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)U19AI111825 United States
Bill & Melinda Gates FoundationINV-034057 United States
CitationJournal: Nat Commun / Year: 2023
Title: Mechanism of glycoform specificity and in vivo protection by an anti-afucosylated IgG nanobody.
Authors: Gupta, A. / Kao, K.S. / Yamin, R. / Oren, D.A. / Goldgur, Y. / Du, J. / Lollar, P. / Sundberg, E.J. / Ravetch, J.V.
History
DepositionNov 22, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 29, 2023Provider: repository / Type: Initial release
Revision 1.1Oct 11, 2023Group: Data collection / Database references
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _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 / _citation.year
Revision 1.2Oct 23, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature / Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: afucosylated IgG1 fragment
B: afucosylated IgG1 fragment
C: Nb.X0
D: Nb.X0
E: afucosylated IgG1 fragment
F: afucosylated IgG1 fragment
G: Nb.X0
H: Nb.X0
hetero molecules


Theoretical massNumber of molelcules
Total (without water)159,12212
Polymers153,8538
Non-polymers5,2694
Water34219
1
A: afucosylated IgG1 fragment
B: afucosylated IgG1 fragment
C: Nb.X0
D: Nb.X0
hetero molecules


Theoretical massNumber of molelcules
Total (without water)79,5616
Polymers76,9274
Non-polymers2,6342
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
E: afucosylated IgG1 fragment
F: afucosylated IgG1 fragment
G: Nb.X0
H: Nb.X0
hetero molecules


Theoretical massNumber of molelcules
Total (without water)79,5616
Polymers76,9274
Non-polymers2,6342
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)170.636, 170.636, 126.419
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 238 through 268 or resid 270 through 317 or resid 319 through 507))
d_2ens_1(chain "B" and (resid 238 through 268 or resid 270 through 317 or resid 319 through 507))
d_3ens_1(chain "E" and (resid 238 through 268 or resid 270 through 317 or resid 319 through 507))
d_4ens_1(chain "F" and (resid 238 through 268 or resid 270 through 317 or resid 319 through 507))
d_1ens_2chain "C"
d_2ens_2chain "D"
d_3ens_2chain "G"
d_4ens_2chain "H"

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1PROHISA2 - 32
d_12ens_1ASPLYSA34 - 81
d_13ens_1TYRLEUA83 - 207
d_14ens_1NAGNAGI
d_15ens_1NAGNAGI
d_16ens_1BMABMAI
d_17ens_1MANMANI
d_18ens_1NAGNAGI
d_19ens_1MANMANI
d_110ens_1NAGNAGI
d_21ens_1PROHISB2 - 32
d_22ens_1ASPLYSB34 - 81
d_23ens_1TYRLEUB83 - 207
d_24ens_1NAGNAGJ
d_25ens_1NAGNAGJ
d_26ens_1BMABMAJ
d_27ens_1MANMANJ
d_28ens_1NAGNAGJ
d_29ens_1MANMANJ
d_210ens_1NAGNAGJ
d_31ens_1PROHISE1 - 31
d_32ens_1ASPLYSE33 - 80
d_33ens_1TYRLEUE82 - 206
d_34ens_1NAGNAGK
d_35ens_1NAGNAGK
d_36ens_1BMABMAK
d_37ens_1MANMANK
d_38ens_1NAGNAGK
d_39ens_1MANMANK
d_310ens_1NAGNAGK
d_41ens_1PROHISF3 - 33
d_42ens_1ASPLYSF35 - 82
d_43ens_1TYRLEUF84 - 208
d_44ens_1NAGNAGL
d_45ens_1NAGNAGL
d_46ens_1BMABMAL
d_47ens_1MANMANL
d_48ens_1NAGNAGL
d_49ens_1MANMANL
d_410ens_1NAGNAGL
d_11ens_2GLNSERC1 - 120
d_21ens_2GLNSERD1 - 120
d_31ens_2GLNSERG1 - 120
d_41ens_2GLNSERH1 - 120

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(0.604395545543, -0.743498126272, -0.28621069295), (-0.75705659484, -0.647883111921, 0.0843373315748), (-0.248135722414, 0.165704585085, -0.954447826622)4.28306269299, -8.45382562669, 51.3128463487
2given(0.994540130191, -0.0101430140308, -0.103860717821), (0.0126323119695, 0.999647819682, 0.0233379797549), (0.103587422664, -0.0245225584127, 0.994318002449)4.08159055766, 1.13405049461, -51.2143684077
3given(0.614200472167, -0.742726997171, -0.26667281013), (-0.75529992209, -0.651183091313, 0.0740446438269), (-0.228647780836, 0.155939697515, -0.960938605249)4.14779080769, -6.1095031241, -2.65470677844
4given(0.648315730478, -0.710705644306, -0.273101081591), (-0.664456909752, -0.70327008312, 0.252800722451), (-0.371730720681, 0.0175692156826, -0.92817433382)8.03830112279, -9.68720142898, 45.2735438877
5given(0.99971538205, 0.0121002437404, 0.0205606175713), (-0.014492181472, 0.992609388335, 0.120484766112), (-0.0189507669943, -0.120748442186, 0.992502232814)-1.72843075956, -4.64118881791, -54.4591503433
6given(0.761137955499, -0.609702923974, -0.221204333585), (-0.591601836349, -0.792429888585, 0.148533292247), (-0.265850108008, 0.0178105635732, -0.963849834724)12.3779146517, 3.86390779341, -5.84652843046

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Components

#1: Antibody
afucosylated IgG1 fragment / Uncharacterized protein DKFZp686C11235


Mass: 25357.752 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: DKFZp686C11235 / Production host: Homo sapiens (human) / References: UniProt: Q6MZV7
#2: Antibody
Nb.X0


Mass: 13105.541 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Camelidae mixed library (mammal)
Production host: Escherichia coli 'BL21-Gold(DE3)pLysS AG' (bacteria)
#3: Polysaccharide
2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy- ...2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 1317.209 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-2DManpa1-3[DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,7,6/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-1-3-1/a4-b1_b4-c1_c3-d1_c6-f1_d2-e1_f2-g1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][b-D-GlcpNAc]{}}[(6+1)][a-D-Manp]{[(2+1)][b-D-GlcpNAc]{}}}}}LINUCSPDB-CARE
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 19 / Source method: isolated from a natural source / Formula: H2O
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: 3.45 Å3/Da / Density % sol: 64.38 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 0.1 M Sodium HEPES 7.5 20 % w/v PEG 8000. Cryopreserved with 12.5% glycerol.

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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: Sep 9, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9201 Å / Relative weight: 1
ReflectionResolution: 2.71→50 Å / Num. obs: 56766 / % possible obs: 98.2 % / Observed criterion σ(I): -3 / Redundancy: 4.6 % / Biso Wilson estimate: 76.11 Å2 / CC1/2: 1 / Rpim(I) all: 0.035 / Net I/σ(I): 31.1
Reflection shellResolution: 2.71→2.75 Å / Mean I/σ(I) obs: 1.5 / Num. unique obs: 2863 / CC1/2: 0.604 / Rpim(I) all: 0.522

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
HKL-2000data reduction
HKL-2000data scaling
PHENIXphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.71→45.9 Å / SU ML: 0.4071 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 31.6671
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2413 2013 3.55 %
Rwork0.2076 54753 -
obs0.2088 56766 99.67 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 93.28 Å2
Refinement stepCycle: LAST / Resolution: 2.71→45.9 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms10328 0 356 19 10703
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.014510956
X-RAY DIFFRACTIONf_angle_d2.177514897
X-RAY DIFFRACTIONf_chiral_restr0.08581692
X-RAY DIFFRACTIONf_plane_restr0.01951873
X-RAY DIFFRACTIONf_dihedral_angle_d8.08161652
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS1.45823018373
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS1.08982742001
ens_1d_4AX-RAY DIFFRACTIONTorsion NCS1.81100560607
ens_2d_2CX-RAY DIFFRACTIONTorsion NCS1.23262457863
ens_2d_3CX-RAY DIFFRACTIONTorsion NCS1.12033035228
ens_2d_4CX-RAY DIFFRACTIONTorsion NCS1.31496324748
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.71-2.780.36261390.34683765X-RAY DIFFRACTION96.66
2.78-2.850.39211400.32293908X-RAY DIFFRACTION99.98
2.85-2.930.34031460.30913922X-RAY DIFFRACTION99.98
2.93-3.030.37181440.31133881X-RAY DIFFRACTION99.98
3.03-3.140.34291370.31333921X-RAY DIFFRACTION99.95
3.14-3.260.34331400.2833902X-RAY DIFFRACTION99.9
3.26-3.410.30361450.25313935X-RAY DIFFRACTION99.88
3.41-3.590.33481430.253907X-RAY DIFFRACTION99.93
3.59-3.820.32161440.24313900X-RAY DIFFRACTION99.83
3.82-4.110.23371450.20663936X-RAY DIFFRACTION100
4.11-4.520.20521480.16963931X-RAY DIFFRACTION100
4.52-5.180.17941420.15633939X-RAY DIFFRACTION100
5.18-6.520.18711450.17643929X-RAY DIFFRACTION100
6.52-45.90.18431550.16623977X-RAY DIFFRACTION99.33
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)
13.073404638621.021306728191.04848568451.872901985340.1813823639790.894821914067-0.1637250443561.329437339820.24022882923-0.2651403129190.0576616917081-0.293341010104-0.128622090818-0.317021400976-0.01739420337580.6124823170660.000661547154969-0.03687824947570.8035241402180.1164444278540.761599107467-47.252915741634.95699683126.7202533234
26.281460559393.543657601651.547242133273.993880730121.778857958972.050657478910.469486956349-1.15025253161.100229373310.0404064577622-0.6843514791921.5150517983-0.152114111089-1.221422131790.111459511540.6111551718030.0785475221718-0.008290139579250.9140160322170.1680942678570.987025216784-63.977666957441.393045898129.039990557
33.806030669660.226804690814-0.6937920498692.676440842610.408699509060.44205808353-0.08115500603220.7876668196590.04834179042820.2632642114050.283317230232-0.517417659099-0.310204744234-0.345729683248-0.1994588640460.787642789720.0102758089551-0.07300694741021.024304511840.1924540577690.658126770194-59.977162792438.275317416524.3073156592
45.341170346720.125427779279-0.4106178394962.459039906310.08089222476360.861678352139-0.29850636535-0.05557976977140.8666610732050.1602012165840.313221279066-0.280942040008-0.326154535951-0.1600543724320.1010545643520.7189997755180.0475775688431-0.004056699043960.8411585637710.09344016562590.807808652141-51.823868202341.710329412632.6443068753
54.39036238773-0.08601458982760.07174181434064.1297541956-0.260163584333.079920226170.0494878076434-0.197478342258-0.6459997208470.1555103755950.088107812219-0.878582870630.5508571317040.279309765113-0.04332592914640.603287397001-0.0332542566760.01377183385190.6810048776260.1292038712711.02463242853-29.685227952815.648711967930.0182019214
63.26419519983-0.7540924127310.1215855679794.55822655020.6707569035321.32537766418-0.0689133419980.380507382343-0.0161987870225-0.5774519336880.0250760420278-0.1006166958770.0006329205416510.1885564716580.1066954311430.646384437004-0.0794999119581-0.001530207420330.6631429148470.08417522308460.801606880359-31.525419688218.532482714124.7622883536
72.2851980781-2.09150707467-1.372963315432.242554206471.889718233283.034594752630.4628941588150.564706136820.0934196432433-0.605449118321-0.628366443772-1.4025538245-0.1968151840350.1799574713120.2956531109010.701078394066-0.133240684550.1786873638190.8519163880650.1188949416251.04197526734-23.0822125224.124901273224.3395685223
85.19503080097-0.855540032628-1.178972497324.998171924731.603174182913.0937179656-0.256454724267-0.1827530212860.1721750609690.504273608690.02390985044430.1758933658670.0741989460089-0.6777602875560.204647686140.7677394219660.0490699053589-0.03125003728560.743349620601-0.01273374692540.800800426011-66.258257220210.161693494644.0371068562
94.193148804870.5170773457110.7384112932164.91032102524-0.3711126430273.237904555760.141821591993-0.147644898017-0.2264930347260.0720017903995-0.0843184705743-0.5475569819140.1898377423880.246003428968-0.008903475425350.727528404407-0.0142997023277-0.009903496621780.635421830730.114516188860.959142168287-34.40023164754.4053971319836.4642286851
107.703199175661.230105788584.800369044324.57329031227-0.06704294902415.56436379183-1.361525567491.114310366230.659760326902-1.41801427247-0.03530184780990.583689012613-2.144261513870.230241256431.0776156671.275538984510.389270919162-0.01852336916511.09855587044-0.003112980503080.988010147641-70.17375479151.333490095453.3046339862
110.76382798083-1.194380368560.3025142929263.55810715535-1.583648931943.55717464311-0.279345267459-0.8246100073250.2326627467041.34842701746-0.1268196972010.1337988791450.0548190224242-0.649031960490.5799018664440.8515806432560.3383070556380.04119401477630.761113822892-0.09603868836750.669599705793-66.836725589345.745976524959.8211000485
122.47672657035-0.4388823460610.1965152928974.79976165211.124458208354.977617935540.417026213010.6270518492450.12899402947-0.806848243963-0.554099768354-0.875294066968-0.5332837712830.4863297113610.3740641501081.051071369580.2492784654590.1095680512620.9313159894470.02412936682340.91776504715-56.151653414646.084612689952.7682096468
132.91227344019-2.771691462690.7172620570845.25905653435-0.1070053060083.25709364306-0.0175990589799-0.195507111936-1.005873063890.9593641471550.4626742392271.571472398151.256207508190.385664496114-0.1172714190221.152045631190.260446393402-0.09582115378870.834443609644-0.07351209606110.916906787331-63.322521429835.549544204456.7577937615
145.690818549262.542961286510.5149910537464.79492441131.141100296233.75451919724-0.4699533567920.379254567484-0.4907655455880.03291393826080.624849529032-0.9136811559770.4596957790650.532656580497-0.1788559720151.205582118780.326046620292-0.1525511629410.911259247050.002738819846091.18708332917-55.361955339435.929092680560.3901842175
150.0593306897556-0.4091176809370.0525583559563.03754965934-0.1557770405874.86719022618-0.37268736839-0.625704877172-0.2003400763240.9051105956890.227340556931-0.1219977163390.1996669931570.1509157335960.1028872420231.210640672850.343597020417-0.05274961094720.934974978613-0.03693977764070.765826210566-61.292720384643.262144946763.8670972448
162.618399349720.6258700336530.4612072662861.872747849880.2722370466471.50951451034-0.4134175690971.42942979192-0.924980486401-0.4248521268840.445143747776-0.3514208509430.4784232770240.3803056523930.0965664131430.7568929702850.317821144137-0.01921187049431.07942885009-0.2731109194110.657774232774-61.931259103942.320359271649.087213509
171.6215068651-1.499011462670.0521759446673.83171552777-1.472619250714.76700303753-0.28813187866-1.226434812650.8100242563990.5653089468661.16563104049-0.978676139799-0.5221255075581.56796985193-0.6612377692290.9751484196650.196984365731-0.2728178412681.18061196783-0.250748322680.778138671478-54.02354007355.700904591963.0351754761
184.413147102741.064288624010.04008564063744.72646197893-1.512745076331.20424179724-0.0760595139577-0.516899850111-0.4255472885-0.1582616572550.333827387040.9477088156230.998135328280.797820390538-0.1758790446560.97260172398-0.1222211314160.08132686788861.017964567270.2075244853990.850025805039-86.734293342411.163334743814.1865274099
192.728406151351.119675911620.9570885616592.00844720873-0.5925499965332.84582014613-0.735292382265-0.4022544738040.813395664443-0.0545997797412-0.1433631254570.905549294413-0.179169232561-0.5984806873960.3637573642750.670990650073-0.0904833576589-0.0453470879791.43887259050.2043426603011.01001698961-83.967150655622.264406369621.0044813342
203.469549001980.5700526743270.7988777711962.658439431630.6550691354893.33258789112-0.126439014688-0.533579288955-1.34668196006-0.3718590573520.6358298469850.122621211211.798142717940.600468371971-0.7053621014351.228847589770.0204881836749-0.04953008228431.065890461280.04522105009160.846282673731-74.96758311710.53654223217.3906435719
212.088326191041.356478519030.7086198971633.06961294992-1.144521508492.33286143006-0.1294732152590.110358027669-0.259704979602-0.9229095842650.199660261835-0.2721654618070.313256932346-0.3130029540490.1424072901790.865028469464-0.1046050551050.02760653831041.12952542790.1470714359610.671235340921-77.381625436621.209986389712.4785559064
223.40010272855-0.5863977754370.7107947910063.618512121040.5395346864153.342111712910.0369104303132-0.646880561283-0.7271802693570.178160592410.355578778381-0.769185885191.348419841150.157232048862-0.08061822038880.838612394463-0.06399528910810.01638852969541.008637266730.1069941428120.744609600728-77.473524580610.72598043216.858837638
233.03732948321.028379108310.3730111426883.92266321613-1.39734489721.07226723388-0.2809507216690.918833115342-0.468890594387-0.250354136907-0.00912542787539-0.66383012611-0.28556199797-0.1404627957940.1395627735360.598031748867-0.0401466068392-0.04601923770080.7599741177740.08118998813730.687827829485-45.435694987736.122678336-30.6057938157
245.240780410650.6168728716291.353916516725.387597138750.673904292363.45294114943-0.3400790217070.4222212427740.539664065298-0.3735262967540.4466980040930.205482781017-0.305500675783-0.571769295248-0.1571747067310.7011367337040.009713682763340.02613500090130.9363118717860.117463502430.734690173993-60.259224301540.3132618049-32.5543220729
252.427286625290.0754151132080.03113346158263.458889696320.9510509953763.76469134712-0.136258371855-0.7629729878450.7592012141250.724159009482-0.0563125385094-0.232533324067-0.711877907253-0.5141143714280.1799187166320.696675258260.0796828619583-0.07708586138830.835056977466-0.05587419466490.715547714599-51.228972308542.638426648-24.982848653
264.44434369877-1.89681291740.8552959001223.34427774302-2.278120061472.8848817576-0.312956917856-0.508786415503-0.6387607727421.02768357392-0.176407677632-0.7676822006370.6740217270080.5965423310730.4120070958270.821762690458-0.09287818635390.1457176564630.8264984197510.2054055912831.19363667408-28.737658590117.7172694437-24.1439524653
273.80828060787-0.938999322166-0.6136241856494.56556989714-0.6261458019042.58374563749-0.4366401693450.2933563958350.102537547303-0.8304360316460.217962279463-0.7687529325640.09397671213940.3663597488170.2050561721840.693256284548-0.1080746979910.08499598137210.7102961482210.04695192477090.982964039708-30.781153550421.4332559322-27.5821628782
283.46807318732-0.373712575270.1845692975795.95315150396-1.081027849522.96055226096-0.2390345050250.30065388859-0.156244163769-0.7993895847830.0370261972522-0.9851421943390.2525549833750.5693803839990.3724812182220.715276203964-0.05633818092420.1089404181290.7739180481040.08547228385480.970193952735-28.329248217219.9051144591-30.4952677022
293.6318362952-0.0390403565961-2.381250236893.994056260594.252359654595.66327273666-0.687368340509-1.47721403616-0.551886497720.8605926381140.7886042130740.6597364070360.3710091212060.220306200583-0.04599330997080.7578584654420.07834422180580.0728218837540.7368411205790.2303649147240.991483684344-62.851126717713.61503668-11.1204513492
303.50566869442-1.19474440668-0.3012564628061.40488755116-1.005895874141.61370540329-0.280036817841-0.827393560887-1.240491001760.8743828967390.1518328850970.8121072149160.54042603863-0.789811789786-0.03426653998181.067582357130.09865104519570.3350900076171.299998491370.3463107684391.58533357693-69.197143357813.4421756778-7.65512927141
312.956658956470.102734453026-1.371146259361.22398983160.9432331047111.70678064251-0.440405001507-0.278234928794-1.610356103650.03260045109990.03898052581321.670366460310.0307664394617-0.4079585274980.3457746947310.7668513399510.07229973897880.04330915355630.803623661170.2232932355761.41613875977-67.72609795179.43655335371-14.4392073103
325.040023039570.50887147055-0.0758704777094.60028695918-0.002966724168353.1891486825-0.1293474614540.0938628389906-0.662987995156-0.602585109221-0.0507099771373-0.979760705946-0.07065254401440.4711348066370.3616009011550.914072203204-0.02068965815830.06006456545350.7698519720720.2453096791531.0556527537-33.37552244787.68133459907-22.9094080231
333.586667547780.643401716388-0.4700915494985.69102600668-0.5965816561772.56228928850.0885174264362-0.323145862231-0.437193630150.429301206235-0.187365208133-1.010958789930.4365121457640.3699363746220.1532172860360.844050331331-0.0180913980064-0.04509852384620.7099377698080.1662217964631.12019621602-34.52012659475.87831575862-16.9789533701
348.88023285134-0.917024620884.27456312967.37790233466-0.1948908940784.42343418194-0.3474381613330.9434468806060.727519808149-0.9176600690380.02555544764131.24999421296-1.47933927756-0.9710461857790.01773775989731.228272113220.403857192615-0.03257501459171.37973711899-0.1895941897621.24571150289-71.027975981252.8407587857-7.96573605546
352.31089199799-0.5223732670220.1657016795282.74989355078-0.3893774754783.129174967620.398374170089-0.5676491254740.71856978021.16117019504-0.486273415572-0.02342375684620.294175072920.5560365788230.04590404158991.218895112170.546403266951-0.1933911384941.83267439943-0.3770854045671.14428053063-61.06023143454.55089153535.57331996449
361.55165812926-0.8950339036761.04688543992.016920758760.3109241490083.58109127918-0.6044294319270.00837266984169-0.0161776642472-0.05867839617220.1118650212880.882742983484-0.15374398909-0.8302379049160.2172711586820.9846879803520.3223740342760.08036617116891.07125698954-0.08176190929091.00536203065-67.884656074343.2242276225-5.84335110509
377.857603409824.73409837865-2.624361166027.268912848811.485797353433.014115474670.938750608043-0.5455409064710.742428700089-0.571710812135-0.69835506558-0.9404947385490.3294738730490.993180207592-0.05416565985981.315016617480.0120460655990.1456912489131.79791384043-0.1628520226771.14967466206-50.88330161551.3927429629-9.69266802082
381.697349532810.1287149069690.3450306891513.63355112095-0.6685440370863.031139318-0.323292039788-0.785271037455-0.1890793024781.275387631680.2875004826030.05672263580350.427422872740.188378757786-0.10882540571.021085833930.3634057793070.1271311984581.15598535087-0.04056413128670.736423806094-59.924133110738.71367308180.243447694518
392.88822934376-1.428493225792.054914522613.953303404830.08992428865691.89327613705-0.629882377544-1.08306853227-0.5915036271542.008148219430.5171885220180.6005886241250.851571120905-0.2587667830620.1417415156071.229517323240.4052857526970.114133155761.43117734719-0.03091125501230.688004811123-63.899281371945.34497973735.07430065751
400.3467883642340.3550268205720.651219477962.07869256730.9732380322731.44491381492-0.0944063748788-0.657645250725-0.1619246783570.6759182522690.00133542868688-0.6528650473720.5436043987750.8075057643270.2626160485090.9903723167270.3087242266220.07769682323191.3235164036-0.179178302330.796180573544-56.821344967649.2975366511-3.14246097944
412.249611244491.11955867733-0.4045391160054.891081421390.91330613883.0935104365-0.3500442719250.393691613451-0.503050686233-0.5640915443220.647973944262-0.1190863916120.477504211017-0.183396105325-0.3310191779810.9593331873680.2121011195440.05579047848481.07522587354-0.01983216514450.805076727983-62.562895935542.2658740083-11.6911057284
421.02978994927-1.01829997-0.8066628022872.97668794985-1.331248705552.94461555198-0.00611912146344-2.089343483040.8357293291880.5009269627080.582485020703-1.34516501116-0.3412253591751.10736890878-0.01340508217231.149340263240.239621151107-0.06648758601181.57525406166-0.3325242169770.947273043875-53.884773109859.04410860772.49276347788
433.005048942611.487722567060.8612211926533.84509802885-0.08787201538040.326865332677-0.209654767254-0.796116971261-0.339168484473-0.4352579223160.4166043101720.8537472733020.4340829691870.67331957283-0.165789326081.19743108627-0.365598753187-0.1524171651851.515835592870.2360193646531.03097908567-81.52455662999.07609527383-45.0835771584
442.797990752790.7135375573230.4636752663411.35145189041-0.4745824581392.43069130771-0.3522169851420.2914677171350.311264302347-1.085573518270.2291223527740.344439609318-0.0214493146708-1.506702442930.5741931495991.0282690751-0.337882574153-0.2142989533231.333306043870.1212658436490.972891952768-80.443279572720.4780680725-40.5453490893
453.45024552620.9538914714460.7919101891682.920920413980.8257824463013.15832357170.001509458774820.270145370941-0.4463221117930.1824473682790.17567268734-0.714032469080.6962206803310.192616725616-0.1653697753310.978490597339-0.226356988528-0.1576302596011.04877475371-0.0145302201170.910900263727-68.690001660214.5715636148-44.426538215
461.73840671041.29453278619-0.01925368991841.06845561833-0.3081379524662.308491404670.0735508164417-0.0305835852477-0.37213286262-0.419152637248-0.00816263114065-0.2819306026480.674106760721-0.428758008884-0.05124607666651.18933853095-0.334038137957-0.2078333579611.30512414750.1288892567220.872349629044-75.124560913614.7169836637-46.8847212085
472.383264597650.2185407399981.321167322113.384227249970.2051741919323.06793172230.055644951812-0.434927053537-0.6799868893020.1561524595960.179017984787-0.3753280954421.01202037267-0.215994349227-0.1686285907821.15539991467-0.173914947556-0.023685451241.053087500420.009586973441331.01232762934-72.228351615811.0854658944-39.2470463483
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 237 through 264 )AA237 - 2641 - 28
22chain 'A' and (resid 265 through 301 )AA265 - 30129 - 65
33chain 'A' and (resid 302 through 325 )AA302 - 32566 - 89
44chain 'A' and (resid 326 through 346 )AA326 - 34690 - 110
55chain 'A' and (resid 347 through 372 )AA347 - 372111 - 136
66chain 'A' and (resid 373 through 432 )AA373 - 432137 - 196
77chain 'A' and (resid 433 through 443 )AA433 - 443197 - 207
88chain 'B' and (resid 237 through 279 )BB237 - 2791 - 43
99chain 'B' and (resid 280 through 346 )BB280 - 34644 - 110
1010chain 'B' and (resid 347 through 443 )BB347 - 443111 - 207
1111chain 'C' and (resid 1 through 9 )CC1 - 91 - 9
1212chain 'C' and (resid 10 through 32 )CC10 - 3210 - 32
1313chain 'C' and (resid 33 through 56 )CC33 - 5633 - 56
1414chain 'C' and (resid 57 through 83 )CC57 - 8357 - 83
1515chain 'C' and (resid 84 through 100 )CC84 - 10084 - 100
1616chain 'C' and (resid 101 through 113 )CC101 - 113101 - 113
1717chain 'C' and (resid 114 through 120 )CC114 - 120114 - 120
1818chain 'D' and (resid 1 through 16 )DD1 - 161 - 16
1919chain 'D' and (resid 17 through 32 )DD17 - 3217 - 32
2020chain 'D' and (resid 33 through 45 )DD33 - 4533 - 45
2121chain 'D' and (resid 46 through 83 )DD46 - 8346 - 83
2222chain 'D' and (resid 84 through 120 )DD84 - 12084 - 120
2323chain 'E' and (resid 238 through 264 )EE238 - 2641 - 27
2424chain 'E' and (resid 265 through 301 )EE265 - 30128 - 64
2525chain 'E' and (resid 302 through 336 )EE302 - 33665 - 99
2626chain 'E' and (resid 337 through 361 )EE337 - 361100 - 124
2727chain 'E' and (resid 362 through 403 )EE362 - 403125 - 166
2828chain 'E' and (resid 404 through 443 )EE404 - 443167 - 206
2929chain 'F' and (resid 236 through 279 )FF236 - 2791 - 44
3030chain 'F' and (resid 280 through 336 )FF280 - 33645 - 101
3131chain 'F' and (resid 337 through 443 )FF337 - 443102 - 208
3232chain 'G' and (resid 1 through 16 )GG1 - 161 - 16
3333chain 'G' and (resid 17 through 39 )GG17 - 3917 - 39
3434chain 'G' and (resid 40 through 51 )GG40 - 5140 - 51
3535chain 'G' and (resid 52 through 76 )GG52 - 7652 - 76
3636chain 'G' and (resid 77 through 120 )GG77 - 12077 - 120
3737chain 'H' and (resid 1 through 16 )HH1 - 161 - 16
3838chain 'H' and (resid 17 through 32 )HH17 - 3217 - 32
3939chain 'H' and (resid 33 through 63 )HH33 - 6333 - 63
4040chain 'H' and (resid 64 through 83 )HH64 - 8364 - 83
4141chain 'H' and (resid 84 through 120 )HH84 - 12084 - 120

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