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- PDB-6tav: Crystal structure of endopeptidase-induced alpha2-macroglobulin -

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Basic information

Entry
Database: PDB / ID: 6tav
TitleCrystal structure of endopeptidase-induced alpha2-macroglobulin
ComponentsAlpha-2-macroglobulin
KeywordsHYDROLASE / PEPTIDASE INHIBITOR / PROTEINASE INHIBITOR / ZN-AND CU-BINDING PROTEIN / CYTOKINE BINDING / HORMONE BINDING / PROTEIN BINDING
Function / homology
Function and homology information


interleukin-1 binding / negative regulation of complement activation, lectin pathway / brain-derived neurotrophic factor binding / response to prostaglandin E / interleukin-8 binding / embryonic liver development / acute inflammatory response to antigenic stimulus / luteinization / tumor necrosis factor binding / HDL assembly ...interleukin-1 binding / negative regulation of complement activation, lectin pathway / brain-derived neurotrophic factor binding / response to prostaglandin E / interleukin-8 binding / embryonic liver development / acute inflammatory response to antigenic stimulus / luteinization / tumor necrosis factor binding / HDL assembly / response to carbon dioxide / nerve growth factor binding / endopeptidase inhibitor activity / growth factor binding / response to glucocorticoid / Intrinsic Pathway of Fibrin Clot Formation / Degradation of the extracellular matrix / response to nutrient / platelet alpha granule lumen / stem cell differentiation / acute-phase response / serine-type endopeptidase inhibitor activity / calcium-dependent protein binding / Platelet degranulation / collagen-containing extracellular matrix / blood microparticle / protease binding / signaling receptor binding / enzyme binding / extracellular space / extracellular exosome / extracellular region / identical protein binding
Similarity search - Function
Alpha-2-macroglobulin, TED domain / TonB box, conserved site / Alpha-2-macroglobulin, conserved site / Alpha-2-macroglobulin family thiolester region signature. / : / Alpha-macro-globulin thiol-ester bond-forming region / Alpha-macroglobulin, receptor-binding / Alpha-macroglobulin, receptor-binding domain superfamily / Macroglobulin domain MG4 / Macroglobulin domain MG3 ...Alpha-2-macroglobulin, TED domain / TonB box, conserved site / Alpha-2-macroglobulin, conserved site / Alpha-2-macroglobulin family thiolester region signature. / : / Alpha-macro-globulin thiol-ester bond-forming region / Alpha-macroglobulin, receptor-binding / Alpha-macroglobulin, receptor-binding domain superfamily / Macroglobulin domain MG4 / Macroglobulin domain MG3 / A-macroglobulin receptor binding domain / Macroglobulin domain MG4 / Macroglobulin domain MG3 / A-macroglobulin receptor / Alpha-2-macroglobulin / Macroglobulin domain / Alpha-2-macroglobulin, bait region domain / Alpha-macroglobulin-like, TED domain / Alpha-2-macroglobulin family / MG2 domain / A-macroglobulin TED domain / Alpha-2-macroglobulin bait region domain / Alpha-2-Macroglobulin / Alpha-2-macroglobulin family / Terpenoid cyclases/protein prenyltransferase alpha-alpha toroid / Immunoglobulin E-set / Immunoglobulin-like fold
Similarity search - Domain/homology
Alpha-2-macroglobulin
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 4.2 Å
AuthorsGomis-Ruth, F.X. / Duquerroy, S. / Trapani, S. / Marrero, A. / Goulas, T. / Guevara, T. / Andersen, G.A. / Sottrup-Jensen, L. / Navaza, J.
Citation
Journal: Proc.Natl.Acad.Sci.USA / Year: 2022
Title: Cryo-EM structures shows the mechanistic basis of pan-peptidase inhibition by human alpha2-macroglobulin
Authors: Luque, D. / Goulas, T. / Mata, C.P. / Mendes, S.R. / Gomis-Ruth, F.X. / Caston, J.R.
#1: Journal: Angew.Chem.Int.Ed.Engl. / Year: 2012
Title: The crystal structure of human alpha 2-macroglobulin reveals a unique molecular cage.
Authors: Marrero, A. / Duquerroy, S. / Trapani, S. / Goulas, T. / Guevara, T. / Andersen, G.R. / Navaza, J. / Sottrup-Jensen, L. / Gomis-Ruth, F.X.
#2: Journal: Subcell. Biochem. / Year: 2017
Title: alpha2-Macroglobulins: Structure and Function.
Authors: Garcia-Ferrer, I. / Marrero, A. / Gomis-Ruth, F.X. / Goulas, T.
#3: Journal: Biol.Chem. / Year: 2017
Title: Structural and functional insight into pan-endopeptidase inhibition by alpha 2-macroglobulins.
Authors: Goulas, T. / Garcia-Ferrer, I. / Marrero, A. / Marino-Puertas, L. / Duquerroy, S. / Gomis-Ruth, F.X.
History
DepositionOct 30, 2019Deposition site: PDBE / Processing site: PDBE
Revision 1.0May 12, 2021Provider: repository / Type: Initial release
SupersessionApr 13, 2022ID: 4ACQ
Revision 1.1Apr 13, 2022Group: Advisory / Database references
Category: citation / citation_author ...citation / citation_author / database_2 / pdbx_database_PDB_obs_spr
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.title / _citation.year / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.2Jan 24, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Alpha-2-macroglobulin
B: Alpha-2-macroglobulin
C: Alpha-2-macroglobulin
D: Alpha-2-macroglobulin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)666,20333
Polymers653,8604
Non-polymers12,34229
Water0
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area27350 Å2
ΔGint115 kcal/mol
Surface area254630 Å2
MethodPISA
Unit cell
Length a, b, c (Å)130.800, 260.300, 281.800
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121

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Components

#1: Protein
Alpha-2-macroglobulin / / Alpha-2-M / C3 and PZP-like alpha-2-macroglobulin domain-containing protein 5


Mass: 163465.062 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Details: Residue GLN975 of the protein according to UniProt P01023 is chemically modified to MEQ975 by reaction with methylamine.
Source: (gene. exp.) Homo sapiens (human) / Gene: A2M, CPAMD5, FWP007 / Production host: Homo sapiens (human) / References: UniProt: P01023
#2: Polysaccharide
alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...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: 748.682 Da / Num. of mol.: 5
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-6DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam 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_c6-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(6+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#3: 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.: 4
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam 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
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-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.: 9
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam 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
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE
#5: 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 / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 11
Source method: isolated from a genetically manipulated source
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
Has ligand of interestN

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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: 3.67 Å3/Da / Density % sol: 66.47 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: Equivolumetric drops consisting of 0.2M tribasic ammonium citrate, pH6.4, 15% (w/v) polyethylene glycol 3350, plus 0.05M sodium fluoride as an additive, and protein solution at 4.9 ...Details: Equivolumetric drops consisting of 0.2M tribasic ammonium citrate, pH6.4, 15% (w/v) polyethylene glycol 3350, plus 0.05M sodium fluoride as an additive, and protein solution at 4.9 absorption units at lambda=280nm yielded a single large well-shaped monocrystal after several months. This crystal could not be reproduced despite extensive trials.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID23-1 / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Jul 18, 2008
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 4.2→34.24 Å / Num. obs: 70358 / % possible obs: 99.1 % / Redundancy: 4.8 % / Biso Wilson estimate: 198.6 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.095 / Rrim(I) all: 0.107 / Net I/σ(I): 10
Reflection shellResolution: 4.2→4.45 Å / Rmerge(I) obs: 1.62 / Mean I/σ(I) obs: 1 / Num. unique obs: 10760 / CC1/2: 0.446 / Rrim(I) all: 1.865 / % possible all: 96.8

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Processing

Software
NameVersionClassification
BUSTER2.10.3refinement
XSCALEdata scaling
PDB_EXTRACT3.25data extraction
XDSdata reduction
BUSTER2.10.3phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4ACQ

4acq
PDB Unreleased entry


Resolution: 4.2→34.24 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.911 / Cross valid method: THROUGHOUT / σ(F): 0 / SU Rfree Blow DPI: 0.884
RfactorNum. reflection% reflectionSelection details
Rfree0.282 831 1.18 %RANDOM
Rwork0.235 ---
obs0.236 70253 99.2 %-
Displacement parametersBiso max: 300 Å2 / Biso mean: 256.78 Å2 / Biso min: 171.12 Å2
Baniso -1Baniso -2Baniso -3
1--2.3859 Å20 Å20 Å2
2---40.4686 Å20 Å2
3---42.8544 Å2
Refine analyzeLuzzati coordinate error obs: 0.72 Å
Refinement stepCycle: final / Resolution: 4.2→34.24 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms40822 0 812 0 41634
Biso mean--296.31 --
Num. residues----5234
Refine LS restraints
Refine-IDTypeNumberRestraint functionWeightDev ideal
X-RAY DIFFRACTIONt_dihedral_angle_d18406SINUSOIDAL2
X-RAY DIFFRACTIONt_trig_c_planes
X-RAY DIFFRACTIONt_gen_planes13118HARMONIC5
X-RAY DIFFRACTIONt_it41753HARMONIC20
X-RAY DIFFRACTIONt_nbd0SEMIHARMONIC5
X-RAY DIFFRACTIONt_improper_torsion
X-RAY DIFFRACTIONt_pseud_angle
X-RAY DIFFRACTIONt_chiral_improper_torsion5788SEMIHARMONIC5
X-RAY DIFFRACTIONt_sum_occupancies
X-RAY DIFFRACTIONt_utility_distance
X-RAY DIFFRACTIONt_utility_angle
X-RAY DIFFRACTIONt_utility_torsion
X-RAY DIFFRACTIONt_ideal_dist_contact91657SEMIHARMONIC4
X-RAY DIFFRACTIONt_bond_d83052HARMONIC20.011
X-RAY DIFFRACTIONt_angle_deg150128HARMONIC21.25
X-RAY DIFFRACTIONt_omega_torsion3.12
X-RAY DIFFRACTIONt_other_torsion20.18
LS refinement shellResolution: 4.2→4.24 Å / Rfactor Rfree error: 0 / Total num. of bins used: 41
RfactorNum. reflection% reflection
Rfree0.1128 1 0.06 %
Rwork0.2405 1713 -
all0.2404 1714 -
obs--84.1 %
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)
18.3158-2.4937-0.11366.10752.47182.0798-0.0312-0.21210.24320.17070.12240.1882-0.43930.1085-0.0912-0.304-0.1195-0.1523-0.11090.0705-0.084333.68156.16979.6983
22.8036-1.50160.8353.98-0.68754.90910.02930.26220.01560.07620.0158-0.0559-0.05620.1169-0.04510.0882-0.2086-0.152-0.15340.152-0.183235.5163160.72936.3345
302.9106-0.48478.31632.91118.3161-0.06140.209-0.19470.0286-0.0969-0.12420.1351-0.07280.1583-0.00210.1524-0.1520.259-0.152-0.046221.7703129.4722.7745
42.70422.9342.91188.3158-2.91128.3159-0.0020.0371-0.2379-0.1034-0.1150.02250.4220.01810.1170.0321-0.1521-0.152-0.16840.01310.289818.364118.1658.6285
56.92831.4627-0.40373.5875-0.39443.55250.00740.0171-0.30450.10210.01190.29030.0803-0.1561-0.0193-0.28020.0156-0.1341-0.06410.03920.188715.3876141.7174.659
63.7607-0.9692.5443.79742.91691.41220.05680.01740.23960.2611-0.040.2118-0.259-0.1456-0.0168-0.1910.1522-0.152-0.11780.152-0.300613.9108163.35632.2526
70.00440.60290.30270-0.71791.00640.08920.02670.071-0.0973-0.029-0.03170.08470.061-0.0602-0.07240.1165-0.15210.0166-0.05120.042934.7268138.12268.1618
84.8443-2.91190.96581.6128-2.91038.3158-0.05520.00570.0553-0.107-0.07930.4853-0.0784-0.11140.13450.17440.152-0.15210.30040.0674-0.304415.9481156.1851.6388
94.5492.7789-0.96981.07471.71973.58850.01020.3124-0.0631-0.1365-0.0326-0.04080.00040.0120.02240.2357-0.152-0.14880.05980.152-0.167156.4489167.2418.8084
108.31630.63072.91163.0035-2.91678.316-0.08960.3039-0.5443-0.24760.1685-0.12870.22320.1019-0.0789-0.2533-0.152-0.14310.3040.0507-0.30473.3011143.71439.795
115.7719-2.91460.14438.3161-2.91118.3158-0.00510.0215-0.0136-0.04690.08170.2157-0.04320.0682-0.07660.304-0.14010.03290.3040.10250.30452.5229134.8615.2221
123.3821-2.9084-2.91058.31612.91118.3159-0.0156-0.0447-0.14810.0692-0.06-0.17930.28480.13580.07560.12980.09530.0344-0.0271-0.1520.034182.212967.930941.0119
134.87361.88962.80763.43142.91485.92650.0004-0.00930.06460.09880.04290.12-0.0501-0.35-0.04320.00370.1555-0.1522-0.1101-0.1522-0.000639.960465.122931.0579
148.3159-2.91172.92818.31630.23525.30580.0163-0.01840.33290.37520.0769-0.0747-0.2751-0.067-0.09320.3040.1524-0.10430.304-0.09480.128932.91896.307813.1948
158.31572.91082.91488.3159-2.91468.3162-0.00670.05260.10170.02360.05760.0983-0.36560.1302-0.05090.304-0.15250.01690.26890.04440.268669.0082105.8420.0329
162.52530.0098-2.91073.06292.91137.6815-0.01640.10820.0445-0.0248-0.0267-0.3074-0.18630.35240.0430.0534-0.0286-0.13160.2347-0.1522-0.060383.548781.577821.3888
172.1354-0.43570.85346.66413.37816.2519-0.00880.0965-0.1756-0.12880.0452-0.23920.0423-0.0262-0.0364-0.0151-0.0113-0.10420.0181-0.1523-0.247542.217362.23879.047
186.3126-2.91120.37454.69922.3674.5268-0.0179-0.12850.15450.06130.0217-0.0871-0.04480.1058-0.00380.03130.0451-0.11490.0738-0.1521-0.006373.308585.756737.3288
198.3163-2.91042.91128.29272.91088.316-0.02750.16880.0553-0.520.07680.112-0.06270.0895-0.04930.2372-0.041-0.15220.3040.08180.089712.520270.50922.0995
208.31632.9110.68818.31572.91138.31570.03720.11980.03890.0410.00750.1882-0.145-0.5142-0.0447-0.0227-0.304-0.1520.23030.07640.23517.106459.763445.7223
218.31580.09612.76665.46382.928.31720.08080.03530.39720.1111-0.08830.224-0.3561-0.09790.00740.08480.152-0.04510.1067-0.1521-0.30434.13382.018868.247
228.31572.9111.77743.44340.84290.2353-0.02950.21260.0954-0.23510.1054-0.1324-0.2518-0.0028-0.0759-0.2163-0.1087-0.07770.1939-0.0112-0.1232107.593142.0848.6732
231.09590.20060.11752.40510.73544.3599-0.09820.05010.0973-0.10640.2608-0.0576-0.208-0.1037-0.1627-0.1842-0.0933-0.1520.00840.1520.1103107.557154.28389.7232
241.92062.91152.02788.3161-1.39578.3162-0.0715-0.0383-0.0551-0.12970.02680.09720.3066-0.04710.04470.0350.1520.14440.07210.1588-0.0035110.134123.277108.554
258.31552.99912.91168.31582.9418.31570.0008-0.0673-0.03610.23740.00410.15740.1695-0.1337-0.00490.1894-0.0149-0.1520.068-0.15210.304109.553105.55975.4441
268.3163-0.7484-2.05661.81842.19762.48840.0293-0.0309-0.1281-0.01110.0036-0.05590.12180.1548-0.0328-0.25090.0205-0.14610.2996-0.1520.1672120.542123.38656.2046
272.3640.97980.711.5951-1.43275.1825-0.02350.03750.0169-0.35980.0288-0.0689-0.6061-0.0154-0.0053-0.2958-0.117-0.1467-0.01470.04590.1935128.665149.92794.9117
280.2681.26011.48991.1492.36916.9376-0.06380.15190.0085-0.04680.077-0.11240.1711-0.2886-0.0132-0.0063-0.1521-0.15210.2324-0.1090.2822101.886127.04561.1894
296.2083-0.58962.93272.84152.89648.31620.0683-0.0951-0.00020.24120.1147-0.1361-0.00460.162-0.183-0.0909-0.0369-0.15210.19720.1328-0.0397124.414149.427125.961
304.9347-2.911-0.37416.2355-1.13744.61-0.0412-0.17070.30790.14470.08430.12020.00580.0594-0.043-0.07280.0107-0.1277-0.11750.15170.128590.2505170.465104.153
318.3176-1.68652.37471.2996-0.01226.05040.07510.5443-0.5443-0.0914-0.04980.22810.24620.0403-0.0252-0.26040.0124-0.15210.1218-0.0704-0.082867.0699149.53286.8978
323.45552.63762.91071.4108-2.50688.31560.12790.1529-0.0645-0.02890.16650.46860.1101-0.183-0.29440.1518-0.07690.024-0.1194-0.1532-0.232132.782483.7137103.179
333.0807-2.91271.52823.1774-0.57473.85030.00860.0155-0.12710.16390.06040.33790.0159-0.0546-0.0690.3040.1298-0.077-0.304-0.0898-0.114472.080471.1584114.93
346.02192.92922.91188.3162.91046.6652-0.02560.3760.50990.05390.1839-0.0004-0.02750.0419-0.15830.304-0.2279-0.0455-0.0644-0.1520.251289.8066101.754123.731
354.80531.05782.91178.3156-0.26398.3155-0.0317-0.03710.21510.0205-0.0696-0.1396-0.49040.23150.10130.3040.1520.0422-0.2572-0.0088-0.01758.2055119.74113.219
363.0709-2.4306-2.91044.56052.80928.31580.0082-0.09120.17970.1388-0.01640.2962-0.03630.07550.00820.22550.1520.15210.0655-0.1521-0.214336.3824101.957117.96
370.82371.90190.68723.56672.95663.2539-0.0153-0.1321-0.02620.13350.00840.07930.0579-0.06460.00690.27140.08380.0361-0.18250.1025-0.30470.362574.9498136.56
381.325-1.88631.63732.36370.22050.7617-0.04530.05920.00780.0226-0.11860.05820.30710.10490.16390.30190.10090.10470.09060.04540.025446.780698.1659101.848
398.3156-2.93293.45648.3157-2.91078.3157-0.0054-0.4988-0.03670.2981-0.0139-0.1238-0.0769-0.0510.01930.3040.1521-0.15220.0538-0.152-0.0818101.93774.8965141.697
403.4301-1.39570.38154.2422.91172.7240.00430.03850.2078-0.05560.1455-0.16720.13690.2159-0.14980.20190.152-0.152-0.304-0.1520.049690.349555.101102.138
415.4158-2.91172.90953.1130.05018.31630.0024-0.04670.12470.11740.1014-0.5397-0.32440.4141-0.1038-0.06210.1096-0.152-0.3039-0.1521-0.03581.432576.285274.6174
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1{A|25 - 125 A|2001 - 2004 A|2101 - 2103}A25 - 125
2X-RAY DIFFRACTION1{A|25 - 125 A|2001 - 2004 A|2101 - 2103}A2001 - 2004
3X-RAY DIFFRACTION1{A|25 - 125 A|2001 - 2004 A|2101 - 2103}A2101 - 2103
4X-RAY DIFFRACTION2{A|126 - 226}A126 - 226
5X-RAY DIFFRACTION3{A|227 - 344 A|2201 - 2201}A227 - 344
6X-RAY DIFFRACTION3{A|227 - 344 A|2201 - 2201}A2201
7X-RAY DIFFRACTION4{A|345 - 452 A|2301 - 2304 A|2401 - 2401}A345 - 452
8X-RAY DIFFRACTION4{A|345 - 452 A|2301 - 2304 A|2401 - 2401}A2301 - 2304
9X-RAY DIFFRACTION4{A|345 - 452 A|2301 - 2304 A|2401 - 2401}A2401
10X-RAY DIFFRACTION5{A|453 - 563}A453 - 563
11X-RAY DIFFRACTION6{A|564 - 601 A|729 - 788}A564 - 601
12X-RAY DIFFRACTION6{A|564 - 601 A|729 - 788}A729 - 788
13X-RAY DIFFRACTION7{A|602 - 700}A602 - 700
14X-RAY DIFFRACTION8{A|789 - 908 A|2501 - 2502}A789 - 908
15X-RAY DIFFRACTION8{A|789 - 908 A|2501 - 2502}A2501 - 2502
16X-RAY DIFFRACTION9{A|909 - 954 A|1270 - 1339}A909 - 954
17X-RAY DIFFRACTION9{A|909 - 954 A|1270 - 1339}A1270 - 1339
18X-RAY DIFFRACTION10{A|955 - 1269 A|2601 - 2603}A955 - 1269
19X-RAY DIFFRACTION10{A|955 - 1269 A|2601 - 2603}A2601 - 2603
20X-RAY DIFFRACTION11{A|1340 - 1468 A|2701 - 2701}A1340 - 1468
21X-RAY DIFFRACTION11{A|1340 - 1468 A|2701 - 2701}A2701
22X-RAY DIFFRACTION12{B|28 - 125 B|2001 - 2004 B|2101 - 2102}B28 - 125
23X-RAY DIFFRACTION12{B|28 - 125 B|2001 - 2004 B|2101 - 2102}B2001 - 2004
24X-RAY DIFFRACTION12{B|28 - 125 B|2001 - 2004 B|2101 - 2102}B2101 - 2102
25X-RAY DIFFRACTION13{B|126 - 226}B126 - 226
26X-RAY DIFFRACTION14{B|227 - 344 B|2201 - 2202}B227 - 344
27X-RAY DIFFRACTION14{B|227 - 344 B|2201 - 2202}B2201 - 2202
28X-RAY DIFFRACTION15{B|345 - 452 B|2301 - 2303 B|2401 - 2401}B345 - 452
29X-RAY DIFFRACTION15{B|345 - 452 B|2301 - 2303 B|2401 - 2401}B2301 - 2303
30X-RAY DIFFRACTION15{B|345 - 452 B|2301 - 2303 B|2401 - 2401}B2401
31X-RAY DIFFRACTION16{B|453 - 563}B453 - 563
32X-RAY DIFFRACTION17{B|564 - 601 B|729 - 788}B564 - 601
33X-RAY DIFFRACTION17{B|564 - 601 B|729 - 788}B729 - 788
34X-RAY DIFFRACTION18{B|602 - 689}B602 - 689
35X-RAY DIFFRACTION19{B|789 - 908 B|2501 - 2502}B789 - 908
36X-RAY DIFFRACTION19{B|789 - 908 B|2501 - 2502}B2501 - 2502
37X-RAY DIFFRACTION20{B|909 - 954 B|1270 - 1339}B909 - 954
38X-RAY DIFFRACTION20{B|909 - 954 B|1270 - 1339}B1270 - 1339
39X-RAY DIFFRACTION21{B|955 - 1269 B|2601 - 2604}B955 - 1269
40X-RAY DIFFRACTION21{B|955 - 1269 B|2601 - 2604}B2601 - 2604
41X-RAY DIFFRACTION22{C|28 - 125 C|2001 - 2001 C|2101 - 2101}C28 - 125
42X-RAY DIFFRACTION22{C|28 - 125 C|2001 - 2001 C|2101 - 2101}C2001
43X-RAY DIFFRACTION22{C|28 - 125 C|2001 - 2001 C|2101 - 2101}C2101
44X-RAY DIFFRACTION23{C|126 - 226}C126 - 226
45X-RAY DIFFRACTION24{C|227 - 344 C|2201 - 2201}C227 - 344
46X-RAY DIFFRACTION24{C|227 - 344 C|2201 - 2201}C2201
47X-RAY DIFFRACTION25{C|345 - 452 C|2301 - 2301 C|2401 - 2401}C345 - 452
48X-RAY DIFFRACTION25{C|345 - 452 C|2301 - 2301 C|2401 - 2401}C2301
49X-RAY DIFFRACTION25{C|345 - 452 C|2301 - 2301 C|2401 - 2401}C2401
50X-RAY DIFFRACTION26{C|453 - 563}C453 - 563
51X-RAY DIFFRACTION27{C|564 - 601 C|728 - 788}C564 - 601
52X-RAY DIFFRACTION27{C|564 - 601 C|728 - 788}C728 - 788
53X-RAY DIFFRACTION28{C|602 - 691}C602 - 691
54X-RAY DIFFRACTION29{C|789 - 908 C|2501 - 2502}C789 - 908
55X-RAY DIFFRACTION29{C|789 - 908 C|2501 - 2502}C2501 - 2502
56X-RAY DIFFRACTION30{C|909 - 954 C|1270 - 1337}C909 - 954
57X-RAY DIFFRACTION30{C|909 - 954 C|1270 - 1337}C1270 - 1337
58X-RAY DIFFRACTION31{C|955 - 1269 C|2601 - 2603}C955 - 1269
59X-RAY DIFFRACTION31{C|955 - 1269 C|2601 - 2603}C2601 - 2603
60X-RAY DIFFRACTION32{D|27 - 125 D|2001 - 2002 D|2101 - 2101}D27 - 125
61X-RAY DIFFRACTION32{D|27 - 125 D|2001 - 2002 D|2101 - 2101}D2001 - 2002
62X-RAY DIFFRACTION32{D|27 - 125 D|2001 - 2002 D|2101 - 2101}D2101
63X-RAY DIFFRACTION33{D|126 - 226}D126 - 226
64X-RAY DIFFRACTION34{D|227 - 344 D|2201 - 2201}D227 - 344
65X-RAY DIFFRACTION34{D|227 - 344 D|2201 - 2201}D2201
66X-RAY DIFFRACTION35{D|345 - 452 D|2301 - 2302 D|2401 - 2401}D345 - 452
67X-RAY DIFFRACTION35{D|345 - 452 D|2301 - 2302 D|2401 - 2401}D2301 - 2302
68X-RAY DIFFRACTION35{D|345 - 452 D|2301 - 2302 D|2401 - 2401}D2401
69X-RAY DIFFRACTION36{D|453 - 563}D453 - 563
70X-RAY DIFFRACTION37{D|564 - 601 D|730 - 788}D564 - 601
71X-RAY DIFFRACTION37{D|564 - 601 D|730 - 788}D730 - 788
72X-RAY DIFFRACTION38{D|602 - 690}D602 - 690
73X-RAY DIFFRACTION39{D|789 - 908 D|2501 - 2502}D789 - 908
74X-RAY DIFFRACTION39{D|789 - 908 D|2501 - 2502}D2501 - 2502
75X-RAY DIFFRACTION40{D|909 - 954 D|1270 - 1336}D909 - 954
76X-RAY DIFFRACTION40{D|909 - 954 D|1270 - 1336}D1270 - 1336
77X-RAY DIFFRACTION41{D|955 - 1269 D|2601 - 2604}D955 - 1269
78X-RAY DIFFRACTION41{D|955 - 1269 D|2601 - 2604}D2601 - 2604

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