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- PDB-9b7h: Crystal structure of the H3 hemagglutinin COBRA TJ2 -

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Basic information

Entry
Database: PDB / ID: 9b7h
TitleCrystal structure of the H3 hemagglutinin COBRA TJ2
Components
  • Hemagglutinin
  • Hemagglutinin HA1
KeywordsVIRAL PROTEIN / hemagglutinin / antigen / receptor binding / membrane fusion
Function / homology
Function and homology information


viral budding from plasma membrane / clathrin-dependent endocytosis of virus by host cell / host cell surface receptor binding / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / virion membrane / membrane
Similarity search - Function
Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B / Viral capsid/haemagglutinin protein
Similarity search - Domain/homology
Biological speciesInfluenza A virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.15 Å
AuthorsDzimianski, J.V. / DuBois, R.M.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)75N93019C00052 United States
CitationJournal: To Be Published
Title: Assessing the structural boundaries of broadly reactive antibody interactions with diverse H3 influenza hemagglutinin proteins
Authors: Dzimianski, J.V. / Nagashima, K.A. / Cruz, J.M. / Sautto, G.A. / O'Rourke, S.M. / Serrao, V.B.H. / Ross, T.M. / Mousa, J.J. / DuBois, R.M.
History
DepositionMar 27, 2024Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 7, 2025Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Hemagglutinin HA1
B: Hemagglutinin HA1
C: Hemagglutinin HA1
a: Hemagglutinin
b: Hemagglutinin
c: Hemagglutinin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)183,07832
Polymers170,1926
Non-polymers12,88626
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)77.252, 117.678, 198.617
Angle α, β, γ (deg.)90.000, 90.950, 90.000
Int Tables number5
Space group name H-MI121
Space group name HallC2y(x,y,-x+z)
Symmetry operation#1: x,y,z
#2: -x,y,-z
#3: x+1/2,y+1/2,z+1/2
#4: -x+1/2,y+1/2,-z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and resid 9 through 325)
d_2ens_1(chain "B" and resid 9 through 325)
d_3ens_1(chain "C" and resid 9 through 325)
d_1ens_2(chain "F" and (resid 501 through 502 or resid 504...
d_2ens_2(chain "G" and (resid 496 through 497 or resid 499...
d_1ens_3(chain "a" and resid 330 through 500)
d_2ens_3chain "b"
d_3ens_3(chain "c" and resid 330 through 500)

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11ens_1SERSERGLUGLUAA9 - 3253 - 319
d_21ens_1SERSERGLUGLUBB9 - 3253 - 319
d_31ens_1SERSERGLUGLUCC9 - 3253 - 319
d_11ens_2NAGNAGNAGNAGIL2
d_12ens_2NAGNAGNAGNAGBX401
d_13ens_2NAGNAGNAGNAGKN1
d_14ens_2NAGNAGNAGNAGKN2
d_15ens_2NAGNAGNAGNAGJM2
d_16ens_2NAGNAGNAGNAGLO1
d_17ens_2NAGNAGNAGNAGMP1
d_18ens_2NAGNAGNAGNAGMP2
d_19ens_2MANMANMANMANMP4
d_110ens_2MANMANMANMANJM4
d_111ens_2MANMANMANMANJM5
d_112ens_2NAGNAGNAGNAGBZ403
d_21ens_2NAGNAGNAGNAGNQ1
d_22ens_2NAGNAGNAGNAGNQ2
d_23ens_2NAGNAGNAGNAGOR1
d_24ens_2NAGNAGNAGNAGOR2
d_25ens_2NAGNAGNAGNAGCAA501
d_26ens_2NAGNAGNAGNAGPS2
d_27ens_2NAGNAGNAGNAGQT1
d_28ens_2NAGNAGNAGNAGCBA502
d_29ens_2MANMANMANMANNQ4
d_210ens_2MANMANMANMANOR4
d_211ens_2MANMANMANMANOR5
d_212ens_2NAGNAGNAGNAGRU2
d_11ens_3GLYGLYPHEPHEaD330 - 5001 - 171
d_21ens_3GLYGLYPHEPHEbE330 - 5001 - 171
d_31ens_3GLYGLYPHEPHEcF330 - 5001 - 171

NCS ensembles :
ID
ens_1
ens_2
ens_3

NCS oper:
IDCodeMatrixVector
1given(-0.19626453671, -0.435891366764, 0.878338743317), (-0.726846040514, 0.665920543526, 0.168061486068), (-0.658160364212, -0.605432528108, -0.447522500987)-32.7425329303, -30.9520274369, -76.5871398254
2given(-0.212941528197, -0.728564537032, -0.651037342208), (-0.438450018099, 0.666716680406, -0.60270262128), (0.873165211857, 0.15710691725, -0.461410803248)-79.7363512165, -39.9898125181, -1.28483606144
3given(0.232559930102, -0.354913795601, -0.905512052158), (-0.488984497839, -0.847477271756, 0.206582755162), (-0.840719953245, 0.394738485011, -0.3706365992)-85.8817155059, -33.8880582642, -68.3466992987
4given(-0.216369022318, -0.453974089556, 0.864344822506), (-0.720558985037, 0.671625370009, 0.17237781598), (-0.6587709733, -0.585514208514, -0.472434033877)-34.1006055675, -30.4803830497, -76.3538470858
5given(-0.198482399269, -0.711950832852, -0.67359538952), (-0.439880689394, 0.678870882904, -0.587910965575), (0.875847998387, 0.17961162531, -0.447917344802)-79.1890699598, -39.4282824589, -0.275550820623

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Components

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Protein , 2 types, 6 molecules ABCabc

#1: Protein Hemagglutinin HA1


Mass: 35885.355 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Production host: Spodoptera frugiperda (fall armyworm)
#2: Protein Hemagglutinin


Mass: 20845.256 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus / Gene: HA / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: A0FCI1

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Sugars , 5 types, 25 molecules

#3: Polysaccharide
alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2- ...alpha-D-mannopyranose-(1-3)-[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: 910.823 Da / Num. of mol.: 7
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3/a4-b1_b4-c1_c3-d1_c6-e1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{}}}}LINUCSPDB-CARE
#4: Polysaccharide
2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}LINUCSPDB-CARE
#5: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 586.542 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2/a4-b1_b4-c1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}LINUCSPDB-CARE
#6: Polysaccharide alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 748.682 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3/a4-b1_b4-c1_c3-d1WURCSPDB2Glycan 1.1.0
[][D-1-deoxy-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}}}}LINUCSPDB-CARE
#7: Sugar
ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 1 types, 1 molecules

#8: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C3H8O3

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Details

Has ligand of interestN
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: 2.65 Å3/Da / Density % sol: 53.62 %
Crystal growTemperature: 295 K / Method: vapor diffusion, hanging drop / Details: 0.1 M Tris pH 8.5, 21% PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.03 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Jul 27, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.03 Å / Relative weight: 1
ReflectionResolution: 3.15→45.66 Å / Num. obs: 30774 / % possible obs: 99.7 % / Redundancy: 3.8 % / Biso Wilson estimate: 96.19 Å2 / CC1/2: 0.994 / Rmerge(I) obs: 0.155 / Rpim(I) all: 0.092 / Rrim(I) all: 0.181 / Χ2: 0.94 / Net I/σ(I): 6 / Num. measured all: 115794
Reflection shellResolution: 3.15→3.32 Å / % possible obs: 99.8 % / Redundancy: 3.9 % / Rmerge(I) obs: 1.424 / Num. measured all: 17421 / Num. unique obs: 4475 / CC1/2: 0.578 / Rpim(I) all: 0.828 / Rrim(I) all: 1.651 / Χ2: 0.94 / Net I/σ(I) obs: 0.9

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
Aimlessdata scaling
XDSdata reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.15→45.66 Å / SU ML: 0.5062 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 31.258
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2693 1470 4.78 %
Rwork0.2219 29264 -
obs0.2241 30734 99.59 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 107.22 Å2
Refinement stepCycle: LAST / Resolution: 3.15→45.66 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11587 0 852 0 12439
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.003212675
X-RAY DIFFRACTIONf_angle_d0.515717159
X-RAY DIFFRACTIONf_chiral_restr0.04992064
X-RAY DIFFRACTIONf_plane_restr0.00432150
X-RAY DIFFRACTIONf_dihedral_angle_d4.51422092
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS0.684016034315
ens_1d_3AAX-RAY DIFFRACTIONTorsion NCS0.596616667618
ens_2d_2GEX-RAY DIFFRACTIONTorsion NCS42.3606688296
ens_3d_2DaX-RAY DIFFRACTIONTorsion NCS0.916989969587
ens_3d_3DaX-RAY DIFFRACTIONTorsion NCS0.657237542907
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.15-3.250.40111450.37132647X-RAY DIFFRACTION99.39
3.25-3.370.38471370.32442665X-RAY DIFFRACTION99.72
3.37-3.50.3451470.30022611X-RAY DIFFRACTION99.86
3.5-3.660.33921520.27312630X-RAY DIFFRACTION99.53
3.66-3.850.27981220.26612653X-RAY DIFFRACTION99.75
3.85-4.10.29141150.23282669X-RAY DIFFRACTION99.86
4.1-4.410.27671200.20692675X-RAY DIFFRACTION99.5
4.41-4.860.2531420.20432670X-RAY DIFFRACTION99.72
4.86-5.560.24691410.20272657X-RAY DIFFRACTION99.71
5.56-70.25851280.21162659X-RAY DIFFRACTION99.25
7-45.660.19771210.17382728X-RAY DIFFRACTION99.23
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)
10.592610228412-1.592095847970.7101108821363.53356222246-1.551961599691.05788751208-0.159025659233-0.1184334063830.184458610380.8260533391260.0223371177874-0.601662447584-0.3875263524870.06981920930570.1058698721280.706684927504-0.0948377748259-0.03012537744210.658411377536-0.02014493294090.874597444369-18.5908547545-18.8398825733-14.2204092509
21.45158143014-1.51081861377-0.3708597970095.50310322844-1.873711508082.588540085530.1564261417920.2304905639090.3372887107040.966293249286-0.272134283720.138692347889-1.274532918540.1455666528680.041999612450.96850626383-0.114750054970.01648896223250.924377731858-0.08769826107071.02677213236-30.72451732456.09358922435-24.1535912032
30.78603971353-1.353382338440.1725817729872.48435495911-0.9968269007232.050025012030.07554279838730.05811714844010.6335238985380.261735977283-0.124959561742-0.29606859301-0.9356754810140.190553779360.08417349332181.35900959819-0.083763069330.07890593989781.01919503376-0.141404716951.15402066761-33.066868936324.7785807916-29.9496110669
41.37677049171-0.8796215893340.3731834843691.85143576859-1.852948937922.517019685880.525435679186-0.0502460005611-0.046305712549-0.472105732094-0.0207675487499-0.66116313813-0.514140659251-0.173138773105-0.09971167539020.914997609826-0.02428535009340.0381188863090.802589236911-0.171172908221.15342490056-33.39930818911.6289939129-39.8559069186
50.336827025324-0.7435426637760.4074723830731.84118320757-0.7540185206410.369446037110.361050000234-0.579949418438-0.4902617647360.878212725157-0.371102028478-0.112662601242-1.03340792787-0.100224168153-0.2100311118831.459334282230.2791671525090.03451674933581.30236639187-0.07608873674861.2975276719-47.824105509325.7714667781-27.9824728341
61.93493924276-1.556767926161.114420195982.24799127641-1.424297236324.221373292510.184741100298-0.277273891634-0.0009179634242240.4391614110350.729074022515-0.2999891061020.00454214529621-0.431974957289-0.3766876902330.9602246133990.04989929507320.02191148544761.04255976504-0.097862931771.05659875944-44.319803558314.0868668838-28.7011875429
71.74967240804-1.737441244160.7802600213672.38240128007-1.817163771042.132886412270.07930444982830.161528521248-0.0776437430477-0.482058905195-0.00737171531163-0.100583598482-0.106436190211-0.194530936139-0.2178610877320.9686613129570.02930851832730.1112759365730.6576837947040.001267890792561.09665572942-37.86133635269.98104328694-37.6031210773
80.834415759086-0.8318094731690.8364883822062.07690770829-1.651937755062.916481964290.0504932319172-0.3390630907450.08177412919140.0314371872225-0.145168503628-0.337985710213-0.273917404924-0.176191314903-0.06044899149960.932382739262-0.01884925442690.106687435710.686556747906-0.1571760118251.05352315324-27.49573385464.37727658949-27.8345577274
91.74895218191-0.5082409729511.147562676071.78291666226-0.1691822209632.40823768123-0.1130266466841.0518305286-0.004399973935270.1157341029180.441240255346-0.660201427921-0.19640477666-0.208888804548-0.08953233278890.789753421995-0.0989561442658-0.008845191445020.794722222303-0.09762312401261.03503169506-20.4263806084-17.0545639118-16.6136577052
104.24734703553-4.137989968641.55719678992.90615047821-1.835655273051.66791510054-0.160027031642-0.496360377650.1210361172580.4343452619060.341681141715-0.1268058515510.306017057688-0.2467804191510.02301646752530.963305724428-0.0706049375484-0.04675833117020.862465088415-0.07439147084760.993918806951-19.3502605238-39.4508400663-6.56734710552
112.35294013029-3.053565049850.6123693341614.20538154367-0.9581311301690.6362918345010.1394164154710.040757846232-0.0906403378656-0.479696030284-0.0530390203666-0.05430484412890.135839756363-0.154639909247-0.09224537444350.844087778797-0.1510208791110.005726694402781.01233414738-0.07253103249180.982455494571-35.1750347074-28.0550864939-47.3566234986
125.05542035199-1.00162630230.5035909052054.11622599424-1.021286740562.99202217530.2247240005290.317811370408-0.906188074915-0.7108585470890.1209524695370.165470688121-0.606841036144-0.957657680143-0.1186232768140.8684950879770.041397492776-0.1338963750081.431058837310.01508730552090.848773781183-55.0017728079-13.5726413608-46.5763264218
132.91636768685-0.127215256857-0.3828247433013.23794221945-0.4370602786842.05488571140.2905586683390.510927205208-0.226337939885-1.16365123294-0.4635944323510.407251874483-0.300080411672-1.424006688410.0221749677381.118339000820.203827522576-0.1333462728151.283431193530.03992113870721.01008670414-62.11153648812.12314802628-58.7341503289
143.86027602225-0.841700493103-1.062604746472.595490838890.139127899342.526883209610.266693435125-0.5152944703640.01029697623340.119096080266-0.6018682789480.706988493982-0.194825535141-0.840794893685-0.0003813685388440.724789476527-0.0446042933636-0.171979741071.612399127010.1056179860430.940174703102-67.29493983950.669647179214-49.3861489082
154.57904954463-0.205265449142-1.099676158494.62186308528-0.8051075343122.762206959720.296624814523-0.2405843859590.750705613856-0.361816028317-0.1346722184280.375093428665-0.345978432466-0.802780127229-0.0992191757380.8398640499850.138489670329-0.03282085942741.21101234465-0.02100599490340.957035292926-57.30026361097.57764815209-45.1181034404
163.08291839721-1.03301636928-0.7434613929283.488379954120.9251100825351.47377474581-0.115782598404-0.416633124908-0.2177687691820.04966075763140.1490174762510.5396798754450.154064345035-0.919272791316-0.059588288230.709302248003-0.0389799427726-0.03638137734161.263169000020.1333329521190.78480081636-57.4878453857-8.70784769479-45.31660076
172.47875992509-2.419944304351.090557009272.40901225308-2.150694036344.298701405340.165894928662-0.201807572173-0.71009673532-0.195047176698-0.335647550522-0.1024843868340.99372161266-0.542608131408-0.2518131030881.05815137505-0.29450202521-0.01830630890480.81654464463-0.01466972019761.02511809368-36.3164142074-30.0885351537-46.0872206577
182.62224676641-5.747522268320.8722272623066.15743154914-0.7077190758821.315934245890.0592162144219-0.2135998692560.339522509576-0.585343509458-0.0287096702154-0.5812026401760.1623998688360.01449990381750.007987092611610.764853561827-0.1555463688830.1761317404310.7754733732430.007556278083241.01164788099-20.4796720757-41.7267852033-37.4935356023
191.35491008052-1.560888569830.200735047922.59077255757-0.3141467381790.654111420349-0.207563948218-0.036079916667-0.4150785083650.3033756237380.1759837423370.9404403075720.0504211172752-0.55910398002-0.01165133105940.787999758836-0.1078763523260.1154939109061.2555167658-0.03820413201150.994807885953-58.2723626502-22.0255052471-13.8185875107
201.832553965290.119198081371-0.7078734874841.80773096630.1375643006231.62566579741-0.106475005505-0.6156660866120.3004812718-0.05096258508410.06558574972240.319789001118-0.272098188426-0.765883670169-0.01783478522630.9929878523610.1604674617140.1495294875291.29743901623-0.04283024215341.04629693174-61.7821672878.60456967438-18.1850584194
211.07888036862-1.34410365885-0.4050330863143.0295923770.5751371470771.01946445617-0.126437658087-0.247510649618-0.2533449022740.2059360395780.2169371592150.423174069310.161354425866-0.566309098772-0.1287158947120.760542235345-0.1130981742270.04248556589061.23660073310.04623161568040.937126780191-52.3524920876-28.3618451426-14.7237204822
223.58164178079-3.070804512031.850101666512.50490457942-1.764604223892.18990996915-0.397961731803-0.08491579478930.02627261200290.0979274802410.205843414392-0.3762739361660.0274818391808-0.2957300713930.1377520616830.875549095301-0.0835480424544-0.02578973045290.7420692092050.01560956234661.0070375989-6.31481403809-52.2167963788-10.1480786269
230.394925070845-1.092674456220.8545334769321.46849178969-1.117508103160.752150587345-0.186538152185-0.328515499060.127700524176-0.6123940144140.0334863812475-0.7025880458810.248207720890.2177918536980.01720931765260.791649315423-0.1659566985620.03398523567981.05910715813-0.03807443073221.27905404886-19.2282140475-24.072111623-24.6722613867
241.38295369575-2.318851083670.7369571784985.04073916311-1.61961591030.896572212824-0.0991451106928-0.031247204072-0.01911852702870.2226915000290.1722098698790.05053479482410.0183606749177-0.200441707791-0.2353748271310.673063468787-0.1459177418380.03877743887760.716446682275-0.007522261796620.785935618024-27.129091657-33.0782334921-18.0472414942
252.54904956796-1.522802296381.430920114884.25162676097-1.133479799941.70489111364-0.244213336663-0.0309260948148-0.307417198748-0.6219613935470.118312855885-0.05230467728380.5483021745960.5894996566920.03954975717981.06898229848-0.02893321606060.06827920744290.8672941503410.03592276454531.050450835460.207889364091-71.7450514999-12.8123812643
262.50993589238-2.31423433841-0.2838604547626.153152252160.9248507793151.80044947220.12121215820.033022542204-0.4969132879-0.642557280142-0.2104521037570.5738553158251.08829413812-0.1873277597530.1116260763721.05197916336-0.188233821610.1112896707160.674543059963-0.08523714991430.798964372248-18.6451883949-61.7942479546-36.5278499704
276.04605862815-2.375572775041.499132882810.8602543858780.1753302033923.57443935329-0.5426010031021.19769622677-0.661025061798-0.186376661491.22010860323-0.64546591040.231327064388-0.276641430096-0.06369570351380.83089603413-0.1578352138320.1178492568450.971248597534-0.1463095717760.792375635699-39.8693899131-21.3894732848-38.8556956882
281.19092591089-3.043090849520.3167157132926.65638684425-0.7709722735130.4383306793050.1416458780740.156254029152-0.000183542898019-0.494133430266-0.2523696633960.317104434880.466622263093-0.04705245596840.1295308364560.887490502089-0.1593087241010.08262322523440.675825928084-0.08117200750970.881371917237-20.2269458542-59.8616843675-28.7568439102
292.0566279901-1.99395083961-1.050033267892.298060265930.3783350166451.79020560752-0.661164405673-0.167159459266-0.475211984416-0.9601660217420.5457921206280.6301384186340.792408702927-0.331200115490.03983360192891.20338702629-0.286265596976-0.006059025878420.8391546451830.0537907514631.19199038918-34.2256579698-66.5093542925-15.8485827194
305.2153202318-3.38501680088-0.6204286035855.250774736160.0674725651543.71576628728-0.674508591995-0.358402632106-0.02295301128170.9933087996960.709109741083-0.3616520253970.543811063107-0.0936247058478-0.02876146808340.784951299589-0.282464756179-0.01928190073270.9486539556550.02620773692420.810102749707-33.5579105682-65.6000032894-6.74533389401
31-0.115096033782-0.4041369038250.2271634100811.3570430977-0.7166698099480.43861054608-0.200263226978-0.45752444431-0.06086356130830.9721134996460.524671368604-0.911890103525-0.218042483281-0.256412422504-0.0850110484681.04747124724-0.09729713549540.1592860231180.926697994471-0.04548770985640.938049229698-41.910780036-32.7023372085-10.3390700141
320.510316504337-1.990068256010.487609653864.7414981278-1.512407482021.1860679972-0.04719890199260.0475464798365-0.196177917757-0.04999449535020.001367288668910.3170776785430.289290798335-0.1267807242140.03798182873480.807900431698-0.2393681514410.03234217696610.809072544423-0.01337022544081.02359578295-30.3867489382-56.6431116553-15.8168708609
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 9 through 89 )AA9 - 891 - 81
22chain 'A' and (resid 90 through 122 )AA90 - 12282 - 114
33chain 'A' and (resid 123 through 163 )AA123 - 163115 - 155
44chain 'A' and (resid 164 through 184 )AA164 - 184156 - 176
55chain 'A' and (resid 185 through 201 )AA185 - 201177 - 193
66chain 'A' and (resid 202 through 228 )AA202 - 228194 - 220
77chain 'A' and (resid 229 through 247 )AA229 - 247221 - 239
88chain 'A' and (resid 248 through 275 )AA248 - 275240 - 267
99chain 'A' and (resid 276 through 308 )AA276 - 308268 - 300
1010chain 'A' and (resid 309 through 326 )AA309 - 326301 - 318
1111chain 'B' and (resid 8 through 104 )BB8 - 1041 - 97
1212chain 'B' and (resid 105 through 122 )BB105 - 12298 - 115
1313chain 'B' and (resid 123 through 146 )BB123 - 146116 - 139
1414chain 'B' and (resid 147 through 175 )BB147 - 175140 - 168
1515chain 'B' and (resid 176 through 228 )BB176 - 228169 - 221
1616chain 'B' and (resid 229 through 275 )BB229 - 275222 - 268
1717chain 'B' and (resid 276 through 305 )BB276 - 305269 - 298
1818chain 'B' and (resid 306 through 326 )BB306 - 326299 - 319
1919chain 'C' and (resid 8 through 146 )CC8 - 1461 - 139
2020chain 'C' and (resid 147 through 247 )CC147 - 247140 - 240
2121chain 'C' and (resid 248 through 325 )CC248 - 325241 - 318
2222chain 'a' and (resid 330 through 382 )aD330 - 3821 - 53
2323chain 'a' and (resid 383 through 392 )aD383 - 39254 - 63
2424chain 'a' and (resid 393 through 455 )aD393 - 45564 - 126
2525chain 'a' and (resid 456 through 501 )aD456 - 501127 - 172
2626chain 'b' and (resid 330 through 384 )bE330 - 3841 - 55
2727chain 'b' and (resid 385 through 404 )bE385 - 40456 - 75
2828chain 'b' and (resid 405 through 500 )bE405 - 50076 - 171
2929chain 'c' and (resid 330 through 351 )cF330 - 3511 - 22
3030chain 'c' and (resid 352 through 382 )cF352 - 38223 - 53
3131chain 'c' and (resid 383 through 392 )cF383 - 39254 - 63
3232chain 'c' and (resid 393 through 501 )cF393 - 50164 - 172

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