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- PDB-6bpa: Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound ... -

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Basic information

Entry
Database: PDB / ID: 6bpa
TitlePlasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to monoclonal antibody 3E9
Components
  • Monoclonal antibody 3E9 Fab heavy chain
  • Monoclonal antibody 3E9 Fab light chain
  • Reticulocyte binding protein 2, putative
KeywordsCELL INVASION / Plasmodium vivax / invasion / malaria / antibody complex
Function / homologyNBD94 domain / Nucleotide-Binding Domain 94 of RH / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta / BROMIDE ION / Reticulocyte binding protein 2, putative
Function and homology information
Biological speciesPlasmodium vivax (malaria parasite P. vivax)
Mus musculus (house mouse)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.53 Å
AuthorsGruszczyk, J. / Chan, L.J. / Tham, W.H.
CitationJournal: Nature / Year: 2018
Title: Cryo-EM structure of an essential Plasmodium vivax invasion complex.
Authors: Jakub Gruszczyk / Rick K Huang / Li-Jin Chan / Sébastien Menant / Chuan Hong / James M Murphy / Yee-Foong Mok / Michael D W Griffin / Richard D Pearson / Wilson Wong / Alan F Cowman / ...Authors: Jakub Gruszczyk / Rick K Huang / Li-Jin Chan / Sébastien Menant / Chuan Hong / James M Murphy / Yee-Foong Mok / Michael D W Griffin / Richard D Pearson / Wilson Wong / Alan F Cowman / Zhiheng Yu / Wai-Hong Tham /
Abstract: Plasmodium vivax is the most widely distributed malaria parasite that infects humans. P. vivax invades reticulocytes exclusively, and successful entry depends on specific interactions between the P. ...Plasmodium vivax is the most widely distributed malaria parasite that infects humans. P. vivax invades reticulocytes exclusively, and successful entry depends on specific interactions between the P. vivax reticulocyte-binding protein 2b (PvRBP2b) and transferrin receptor 1 (TfR1). TfR1-deficient erythroid cells are refractory to invasion by P. vivax, and anti-PvRBP2b monoclonal antibodies inhibit reticulocyte binding and block P. vivax invasion in field isolates. Here we report a high-resolution cryo-electron microscopy structure of a ternary complex of PvRBP2b bound to human TfR1 and transferrin, at 3.7 Å resolution. Mutational analyses show that PvRBP2b residues involved in complex formation are conserved; this suggests that antigens could be designed that act across P. vivax strains. Functional analyses of TfR1 highlight how P. vivax hijacks TfR1, an essential housekeeping protein, by binding to sites that govern host specificity, without affecting its cellular function of transporting iron. Crystal and solution structures of PvRBP2b in complex with antibody fragments characterize the inhibitory epitopes. Our results establish a structural framework for understanding how P. vivax reticulocyte-binding protein engages its receptor and the molecular mechanism of inhibitory monoclonal antibodies, providing important information for the design of novel vaccine candidates.
History
DepositionNov 22, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 20, 2018Provider: repository / Type: Initial release
Revision 1.1Jun 27, 2018Group: Data collection / Database references / Category: citation / citation_author / Item: _citation.pdbx_database_id_DOI
Revision 1.2Jul 11, 2018Group: Data collection / Database references / Category: citation / citation_author
Item: _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed ..._citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation_author.name
Revision 1.3Jul 18, 2018Group: Data collection / Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.4Oct 4, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Reticulocyte binding protein 2, putative
B: Monoclonal antibody 3E9 Fab heavy chain
C: Monoclonal antibody 3E9 Fab light chain
D: Reticulocyte binding protein 2, putative
E: Monoclonal antibody 3E9 Fab heavy chain
F: Monoclonal antibody 3E9 Fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)179,6677
Polymers179,5876
Non-polymers801
Water9,764542
1
A: Reticulocyte binding protein 2, putative
B: Monoclonal antibody 3E9 Fab heavy chain
C: Monoclonal antibody 3E9 Fab light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)89,8744
Polymers89,7943
Non-polymers801
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
D: Reticulocyte binding protein 2, putative
E: Monoclonal antibody 3E9 Fab heavy chain
F: Monoclonal antibody 3E9 Fab light chain


Theoretical massNumber of molelcules
Total (without water)89,7943
Polymers89,7943
Non-polymers00
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)59.070, 177.100, 178.620
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number18
Space group name H-MP22121

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Components

#1: Protein Reticulocyte binding protein 2, putative


Mass: 36519.789 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Plasmodium vivax (strain Salvador I) (eukaryote)
Strain: Salvador I / Gene: PVX_094255 / Plasmid: pET32-a(+) / Production host: Escherichia coli (E. coli) / Strain (production host): SHuffle T7 / References: UniProt: A5K736
#2: Antibody Monoclonal antibody 3E9 Fab heavy chain


Mass: 27243.787 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse)
#3: Antibody Monoclonal antibody 3E9 Fab light chain


Mass: 26030.107 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse)
#4: Chemical ChemComp-BR / BROMIDE ION / Bromide


Mass: 79.904 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Br
#5: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 542 / Source method: isolated from a natural source / Formula: H2O

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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: 2.83 Å3/Da / Density % sol: 56.55 %
Crystal growTemperature: 295 K / Method: vapor diffusion, sitting drop / pH: 5.5
Details: 0.2 M KBr, 15% (w/v) PEG 4,000 and 0.05 M sodium citrate/citric acid

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.9537 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Jul 27, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9537 Å / Relative weight: 1
ReflectionResolution: 2.53→59.54 Å / Num. obs: 63529 / % possible obs: 99.8 % / Redundancy: 6.7 % / CC1/2: 0.993 / Net I/σ(I): 9.9
Reflection shellResolution: 2.53→2.59 Å / Redundancy: 6.4 % / Mean I/σ(I) obs: 1.9 / Num. unique obs: 4411 / CC1/2: 0.552 / % possible all: 99.3

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Processing

Software
NameVersionClassification
PHENIX1.12_2829refinement
Blu-Icedata collection
iMOSFLM7.2.1data reduction
Aimless0.2.7data scaling
PHENIX1.12_2829phasing
PHENIX1.12_2829model building
PDB_EXTRACT3.22data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5W53,5EN2

5w53

5en2


Resolution: 2.53→56.051 Å / SU ML: 0.34 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 23.32
RfactorNum. reflection% reflection
Rfree0.2246 1039 1.64 %
Rwork0.1942 --
obs0.1947 63452 99.73 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 123.9 Å2 / Biso mean: 44.0516 Å2 / Biso min: 7.18 Å2
Refinement stepCycle: final / Resolution: 2.53→56.051 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11516 0 1 542 12059
Biso mean--67.28 38.18 -
Num. residues----1448
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00411779
X-RAY DIFFRACTIONf_angle_d0.63215961
X-RAY DIFFRACTIONf_chiral_restr0.0411778
X-RAY DIFFRACTIONf_plane_restr0.0042031
X-RAY DIFFRACTIONf_dihedral_angle_d3.3657099
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 7

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.53-2.66340.32891430.27958751889499
2.6634-2.83020.27731370.25428802893999
2.8302-3.04880.29441210.234687938914100
3.0488-3.35550.2691530.218688819034100
3.3555-3.8410.22761390.183389069045100
3.841-4.83880.18741630.154389939156100
4.8388-56.06520.17891830.16692879470100
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)
10.52080.2506-0.18630.1858-0.10921.9111-0.87050.1631-0.3860.65610.0389-0.16470.92960.61080.66781.07660.3164-0.01131.08020.21911.08584.1239-41.326697.1414
24.7870.28750.30371.90320.2212.2860.0914-0.22050.3598-0.15270.60960.25430.6098-0.6001-0.52140.57950.0581-0.17570.55640.00630.52733.3117-31.68483.2741
32.8301-1.0796-0.53032.61610.72350.22320.4284-1.1543-0.58420.51080.18790.12190.55160.9262-0.60580.8551-0.0536-0.29471.09550.12420.86018.6244-33.3203102.5939
40.5799-0.44120.05763.99530.77760.4881-0.1628-0.35160.36490.83890.4479-1.28920.50340.3253-0.46870.65970.0875-0.18340.8152-0.06040.759115.1764-35.120988.7194
51.2297-0.27191.92722.6331.17459.7076-0.2831-0.14940.36290.1114-0.45090.2174-1.09640.32280.01990.4044-0.07590.01020.2456-0.03340.4461-23.2801-37.594369.4435
64.4172-0.19211.95782.4997-0.20411.3839-0.4572-0.49050.23540.23110.12190.344-0.9456-0.63410.04570.55330.00120.06150.47380.02160.4796-28.3775-40.998179.6734
70.7025-0.3886-1.01883.62820.04431.65230.1528-0.3073-0.18680.4213-0.04360.0890.1843-0.0245-0.12010.335-0.1004-0.05920.32470.02670.2599-23.1783-50.891170.3837
82.61160.01233.03121.34571.83715.89920.2212-0.5639-0.59180.48370.0516-0.14640.0129-0.6923-0.10950.4291-0.06460.0310.4660.07550.2924-27.3105-45.989175.8725
91.29570.0361-1.06931.55251.28674.9360.0412-0.08210.27320.1826-0.0113-0.1159-0.32840.3191-0.12040.2994-0.0404-0.05380.342-0.00580.2513-19.9078-42.846569.7234
104.0383-0.1926-3.1412.95951.06192.7838-0.663-0.60090.6007-0.28260.3029-0.7541-0.02820.07520.20520.607-0.0832-0.18940.6953-0.03830.6964.7242-22.460390.4615
114.59741.2674-0.73073.1624-0.40982.09860.43940.14330.0451-0.16630.11070.22390.2924-0.1634-0.3720.5416-0.0097-0.14710.6037-0.06650.3936-6.9867-26.40788.9117
124.7151-2.9203-1.14274.6549-0.87731.44140.23130.48520.467-0.01810.1226-0.6913-0.34120.1056-0.27570.6776-0.0625-0.21230.605-0.05140.5958-3.3577-18.016682.718
134.64080.46120.22184.0371-0.16771.7509-0.1202-0.388-0.09860.5387-0.0723-0.26160.0767-0.43210.2950.652-0.1362-0.08310.5901-0.02260.3851-10.8948-35.522790.0232
144.4446-0.4111-0.60421.33110.49651.7788-0.11750.31610.7299-0.49740.0742-0.621-0.75970.18150.08560.781-0.1473-0.29750.7146-0.05390.9888.3015-16.185182.6651
156.31043.702-3.51364.2191-3.30473.60151.3152-1.24980.70741.2157-0.8916-0.066-1.17-0.0346-0.61890.9118-0.275-0.08470.52980.06681.03434.607-10.170688.1485
162.79991.55361.13173.70460.47243.66320.1823-1.16141.0535-0.1974-0.4370.7816-0.5147-0.11920.22990.5561-0.0728-0.12590.6725-0.09490.6741-7.4359-16.112593.0998
175.55560.8646-0.09552.0394-1.46965.5292-0.22670.0070.02730.35840.62830.044-0.04830.1068-0.46740.3877-0.00230.08760.3546-0.06780.209728.7304-33.696818.8479
185.278-2.91772.17013.9518-1.25411.87760.21340.6479-0.0129-0.7209-0.01260.24880.1017-0.1413-0.15520.4667-0.07560.00680.48710.07460.268113.0635-22.17077.5049
191.9829-2.02731.17424.387-1.71652.29860.37750.3684-0.1245-0.9248-0.06550.12690.43210.1267-0.08350.4266-0.03920.08950.457-0.03770.328430.4265-38.715411.6751
204.532-2.25112.7044.3542-3.07965.1546-0.3426-0.53340.63610.0668-0.2083-0.636-0.343-0.23570.40710.312-0.06270.04460.49640.00610.39340.4481-37.856421.117
215.158-4.96052.04645.78-1.66470.98260.40010.9151.0532-0.8915-0.6266-0.9081-0.05330.3460.19720.6122-0.15030.07320.60590.0960.431222.611-16.47515.0396
222.94380.61360.76051.16340.10064.892-0.18680.36670.3756-0.69490.1170.14050.0997-0.1855-0.09480.42140.004-0.09140.37620.04010.3291.9824-16.829215.5581
233.2035-0.94393.94794.2365-1.05484.94830.4738-0.5335-0.71510.54780.3060.70230.15080.1662-0.38230.2780.0195-0.00610.35460.01460.295515.7338-36.733534.5235
245.8097-7.41574.2489.5479-5.30923.2385-0.009-0.3480.24851.2289-0.08010.58260.6059-0.5254-0.18060.45540.01380.0110.55080.04510.312828.9196-40.871540.8871
252.97920.14270.71944.5999-2.48854.78110.131-0.09030.2050.3433-0.4539-0.65850.19140.18120.12460.22830.0457-0.01550.34810.01790.413937.159-47.801939.0277
263.6837-2.6274.72446.1161-1.68217.186-0.17280.78810.115-0.73860.4595-0.9088-0.09920.52020.24270.2436-0.01290.04380.2921-0.02710.315529.6079-37.789828.265
271.4461-1.28851.01313.4903-1.66391.949-0.09350.19080.0657-0.2280.05130.0197-0.27470.08330.04350.3124-0.0416-0.03630.27310.00620.24812.0542-21.356520.7826
284.4585-4.18894.42394.9371-5.0565.23560.1619-0.6955-0.4837-0.4610.66580.91150.483-0.144-0.62630.38640.07550.00540.40.04950.403529.1424-53.84335.0389
295.1970.3468-2.84110.29750.50283.04270.03620.17810.6203-0.11450.30030.5881-0.0173-0.2763-0.50330.23210.0353-0.06770.29350.05090.3761-17.244-23.107442.9744
305.7051-1.9289-0.30666.3554-0.21962.5438-0.04150.47690.2457-0.93880.14630.2167-0.74140.0024-0.13840.3324-0.0274-0.05680.41710.03240.286-7.6961-22.080728.6243
315.78330.71230.38183.02281.04295.00910.0479-0.58590.25090.34440.1072-0.09820.1879-0.06910.08070.2290.0541-0.07310.2634-0.04560.2815-5.5039-24.938847.4911
323.4387-0.17043.37522.595-1.84719.3172-0.20850.3792-0.1459-0.5471-0.0522-0.05450.68850.6670.2790.2818-0.0257-0.04660.23930.00030.2821-4.4446-33.669536.6205
332.77470.5702-2.08383.2233-0.94936.9547-0.0970.1198-0.0808-0.22170.0550.20860.7292-0.11120.04880.21880.0257-0.02620.2253-0.00490.3259-13.1465-31.640640.301
346.54682.6897-5.64675.1782-1.42478.0278-0.01880.10610.10580.150.0185-0.13890.64-0.24850.11940.1914-0.05050.03090.2855-0.01610.3432-11.6895-24.88550.5168
351.1193-0.8249-1.43721.121.49432.210.0349-0.1131-0.0403-0.1263-0.07190.1117-0.10860.04810.02540.23550.0103-0.04260.23620.02810.2169-13.0406-17.12348.0034
362.76112.09091.97568.78582.43963.17340.0432-0.2621-0.15820.474-0.0614-0.1742-0.2583-0.09930.02360.31510.02770.04630.2259-0.00170.1772-21.9582-3.037263.7985
373.6543-1.59121.28293.81241.46863.1145-0.1263-0.0015-0.31750.15640.3180.22420.08250.0205-0.12220.18690.02760.03030.18310.01820.249-18.0845-4.676458.3655
382.9084-0.610.2634.91611.2262.45750.05240.12820.49020.3606-0.1292-0.3351-0.2598-0.24970.0460.2377-0.02520.01890.26430.01320.2991-20.10084.973861.4187
391.53240.3997-0.21653.12722.4562.1854-0.39790.43110.2593-0.3130.16290.7621-0.02680.37580.05150.25290.0278-0.02560.26560.04160.2823-27.2231-6.880152.8398
405.03181.41364.92127.14342.44388.28480.1096-0.4251-0.3022-0.2423-0.64371.0178-0.816-0.83560.61690.26880.08590.01430.31660.04710.3751-29.55246.622864.0405
413.0389-2.552-0.58642.24181.00433.50150.004-0.37960.23361.10830.1632-0.62650.05750.37750.03620.2464-0.0163-0.00770.4005-0.06640.248511.023-16.266556.7575
422.4052.08320.72263.8823-3.58118.81430.05340.0409-0.3682-0.3376-0.0123-0.85370.47440.7350.05720.22140.0227-0.00690.38630.05210.330815.1192-28.642147.537
432.36480.6539-0.38843.26960.25564.20750.1505-0.01010.3148-0.2023-0.19210.1581-0.4111-0.0876-0.0830.26870.00230.01660.2829-0.03330.31346.4903-13.972843.6927
442.9867-0.6053-0.58853.94541.6462.3872-0.097-0.45880.5902-0.28870.4470.162-0.37530.3031-0.18260.2278-0.0710.01870.3751-0.12530.41612.2408-12.791850.4245
458.6835-5.9218-6.17724.67683.0559.8536-0.12360.3613-0.02720.0441-0.40270.51780.10020.1057-0.20010.23370.0388-0.07720.1904-0.04470.29986.1243-23.588847.1708
462.87510.8798-0.19564.23480.03781.9172-0.0641-0.29780.14580.1843-0.05560.26720.05460.32730.02510.2221-0.0155-0.08230.2777-0.02140.20434.842-23.39650.635
472.7248-1.2168-1.83362.11730.67953.3598-0.1163-0.16730.40230.03040.10580.08490.0156-0.1296-0.00810.2497-0.06310.00680.2615-0.02960.1498-17.4413-0.644170.2264
487.05490.9819-4.03851.0328-0.97543.97820.0331-0.5968-0.15830.4453-0.0389-0.07440.15650.5979-0.03710.2973-0.0306-0.02430.2521-0.05710.2213-10.9153-3.394775.8317
498.75892.2639-2.6934.82980.31522.9558-0.54130.5086-0.2063-0.39920.4658-0.19780.4984-0.01970.1790.21450.0186-0.05980.3397-0.0410.2719-8.9219-6.040367.5778
505.2239-0.0034-0.83883.96151.25495.3889-0.06610.0527-0.60930.7361-0.12770.51490.4293-0.42560.25790.3947-0.00210.08560.34720.01480.3325-26.1853-6.82477.5179
512.0734-1.25421.13541.3843-0.3565.9824-0.0377-0.72860.34860.1766-0.1128-0.2634-0.28480.3464-0.18130.43720.0013-0.09530.38440.00120.3404-16.7217-0.983181.472
528.35051.8258-1.21672.3073-0.75923.37420.1448-1.46610.53450.16920.0979-0.1144-0.14220.4529-0.41420.40230.0373-0.02730.4055-0.09390.3567-13.35093.444980.2445
533.449-1.35932.15283.2417-0.42881.16560.0881-0.1393-0.1060.0104-0.1878-0.19030.14650.11220.00390.2605-0.0322-0.05820.2738-0.01150.2689-39.7924-75.203949.8835
546.4681-3.54752.3224.9224-2.33056.06840.10580.3942-0.2234-1.136-0.1015-0.13520.65570.7457-0.23020.5976-0.0131-0.04940.3794-0.05740.5842-19.8956-89.74158.1442
553.2966-2.89984.46727.1185-3.06046.1250.91780.6374-1.2559-0.0002-0.3533-0.4470.73520.7106-0.63620.4753-0.0387-0.08970.361-0.02370.6773-36.872-89.530748.6584
562.7320.3397-0.12983.3384-2.58414.13320.14760.46870.3197-0.9339-0.23530.41390.2598-0.41050.06470.39720.0228-0.08070.4055-0.07780.3566-54.2753-63.674333.0724
574.9314-0.9106-0.09916.593-1.95264.26820.1625-0.65470.80610.13870.07240.4187-0.0258-0.62790.07340.31840.03280.04670.4002-0.05110.4946-58.2272-64.080142.5084
586.2225-1.2423.29142.5461-1.74523.14630.4553-0.5493-0.5090.2475-0.26970.02780.3917-0.1985-0.22930.4555-0.08630.01050.40180.00690.4015-42.5967-84.624256.1205
592.7257-1.8377-0.20932.806-0.37361.88980.0592-0.0702-0.304-0.1335-0.0573-0.27470.54410.0049-0.0280.3833-0.0175-0.14180.2890.00940.4755-17.8888-81.165162.4681
608.9716-4.78540.35054.6361-0.75061.50210.020.51150.83570.0282-0.2283-0.2627-0.18720.12460.08350.28130.0148-0.02590.2496-0.00420.2599-33.7573-53.530748.2726
613.83510.12020.24977.51540.78292.6747-0.0448-0.39980.4367-0.08590.06290.5781-0.2263-0.42120.04240.25030.041-0.01760.3039-0.07120.3835-51.5541-47.351139.577
627.9144-2.74953.80014.6966-2.60262.89020.4137-0.48990.1944-0.0358-0.40390.1590.228-0.55-0.11840.2812-0.01810.01680.329-0.07750.2587-39.5443-62.541250.9615
631.7122-2.12281.94053.3316-2.33721.69620.0978-0.0311-0.19530.25420.0303-0.00030.15720.0532-0.14450.356-0.0508-0.05910.30040.04370.3715-25.1782-73.900260.0287
644.8964-1.93230.13444.038-4.16355.5420.23440.15910.6508-0.6298-0.464-0.2406-0.01710.62710.21210.39120.0302-0.09480.2878-0.04950.3884-44.434-49.792232.5835
654.9156-0.46870.42173.13153.73844.5798-0.7442-0.5375-1.1710.932-0.2095-0.7630.78210.81660.14830.2445-0.0333-0.54590.43910.23990.7609-1.3445-57.220768.4915
662.22850.2046-0.08583.6392-0.33770.67530.04910.1801-0.305-0.0304-0.0253-0.64520.1057-0.0701-0.10010.30810.0093-0.07280.37120.07380.4673-3.1068-54.21760.1155
675.5412-2.1309-1.65293.1602-1.26513.86920.3453-0.0015-0.0889-0.1317-0.3256-0.3474-0.1936-0.30720.0380.2041-0.0114-0.01320.21860.08480.2923-10.1195-49.643657.5652
682.15561.2753-0.35823.4366-0.663.82570.22580.24040.0765-0.5573-0.1836-0.39620.06770.1987-0.00330.26550.0347-0.03940.30940.03090.4077-5.6539-48.916452.4668
692.29212.80730.80349.34360.74353.68590.04340.0575-0.0133-0.658-0.0158-1.0212-0.12580.529-0.19560.30070.0257-0.03480.34750.05730.53170.6824-50.499257.2082
708.39666.1031-2.57594.5431-0.99966.8680.27720.25430.3646-0.14370.08630.0658-0.3076-0.2898-0.12840.2451-0.025-0.00280.41520.10990.5118-3.7661-43.808964.5057
710.5996-0.6017-0.37561.28170.92920.729-0.0649-0.16040.33770.26310.0917-0.38380.05380.3383-0.14950.4193-0.0833-0.19440.41970.0950.5322-1.5447-43.321174.1069
723.6507-1.3593-2.83322.87111.57772.3168-0.3695-0.34660.05390.63030.0316-0.54450.22030.70330.11010.58270.0473-0.20910.77090.04110.73218.2831-34.889285.0143
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1(chain E and resid 182:188)E182 - 188
2X-RAY DIFFRACTION2(chain E and resid 189:209)E189 - 209
3X-RAY DIFFRACTION3(chain E and resid 210:222)E210 - 222
4X-RAY DIFFRACTION4(chain E and resid 223:239)E223 - 239
5X-RAY DIFFRACTION5(chain F and resid 23:35)F23 - 35
6X-RAY DIFFRACTION6(chain F and resid 36:45)F36 - 45
7X-RAY DIFFRACTION7(chain F and resid 46:84)F46 - 84
8X-RAY DIFFRACTION8(chain F and resid 85:107)F85 - 107
9X-RAY DIFFRACTION9(chain F and resid 108:130)F108 - 130
10X-RAY DIFFRACTION10(chain F and resid 131:152)F131 - 152
11X-RAY DIFFRACTION11(chain F and resid 153:165)F153 - 165
12X-RAY DIFFRACTION12(chain F and resid 166:187)F166 - 187
13X-RAY DIFFRACTION13(chain F and resid 188:197)F188 - 197
14X-RAY DIFFRACTION14(chain F and resid 198:208)F198 - 208
15X-RAY DIFFRACTION15(chain F and resid 209:217)F209 - 217
16X-RAY DIFFRACTION16(chain F and resid 218:233)F218 - 233
17X-RAY DIFFRACTION17(chain A and resid 170:186)A170 - 186
18X-RAY DIFFRACTION18(chain A and resid 187:217)A187 - 217
19X-RAY DIFFRACTION19(chain A and resid 218:266)A218 - 266
20X-RAY DIFFRACTION20(chain A and resid 267:285)A267 - 285
21X-RAY DIFFRACTION21(chain A and resid 286:309)A286 - 309
22X-RAY DIFFRACTION22(chain A and resid 310:337)A310 - 337
23X-RAY DIFFRACTION23(chain A and resid 338:350)A338 - 350
24X-RAY DIFFRACTION24(chain A and resid 351:357)A351 - 357
25X-RAY DIFFRACTION25(chain A and resid 358:378)A358 - 378
26X-RAY DIFFRACTION26(chain A and resid 379:384)A379 - 384
27X-RAY DIFFRACTION27(chain A and resid 385:448)A385 - 448
28X-RAY DIFFRACTION28(chain A and resid 449:466)A449 - 466
29X-RAY DIFFRACTION29(chain B and resid 20:40)B20 - 40
30X-RAY DIFFRACTION30(chain B and resid 41:51)B41 - 51
31X-RAY DIFFRACTION31(chain B and resid 52:65)B52 - 65
32X-RAY DIFFRACTION32(chain B and resid 66:81)B66 - 81
33X-RAY DIFFRACTION33(chain B and resid 82:106)B82 - 106
34X-RAY DIFFRACTION34(chain B and resid 107:115)B107 - 115
35X-RAY DIFFRACTION35(chain B and resid 116:152)B116 - 152
36X-RAY DIFFRACTION36(chain B and resid 153:174)B153 - 174
37X-RAY DIFFRACTION37(chain B and resid 175:199)B175 - 199
38X-RAY DIFFRACTION38(chain B and resid 200:219)B200 - 219
39X-RAY DIFFRACTION39(chain B and resid 220:232)B220 - 232
40X-RAY DIFFRACTION40(chain B and resid 233:241)B233 - 241
41X-RAY DIFFRACTION41(chain C and resid 23:44)C23 - 44
42X-RAY DIFFRACTION42(chain C and resid 45:53)C45 - 53
43X-RAY DIFFRACTION43(chain C and resid 54:83)C54 - 83
44X-RAY DIFFRACTION44(chain C and resid 84:108)C84 - 108
45X-RAY DIFFRACTION45(chain C and resid 109:113)C109 - 113
46X-RAY DIFFRACTION46(chain C and resid 114:127)C114 - 127
47X-RAY DIFFRACTION47(chain C and resid 128:154)C128 - 154
48X-RAY DIFFRACTION48(chain C and resid 155:176)C155 - 176
49X-RAY DIFFRACTION49(chain C and resid 177:196)C177 - 196
50X-RAY DIFFRACTION50(chain C and resid 197:210)C197 - 210
51X-RAY DIFFRACTION51(chain C and resid 211:220)C211 - 220
52X-RAY DIFFRACTION52(chain C and resid 221:234)C221 - 234
53X-RAY DIFFRACTION53(chain D and resid 170:202)D170 - 202
54X-RAY DIFFRACTION54(chain D and resid 203:216)D203 - 216
55X-RAY DIFFRACTION55(chain D and resid 217:242)D217 - 242
56X-RAY DIFFRACTION56(chain D and resid 243:265)D243 - 265
57X-RAY DIFFRACTION57(chain D and resid 266:279)D266 - 279
58X-RAY DIFFRACTION58(chain D and resid 280:304)D280 - 304
59X-RAY DIFFRACTION59(chain D and resid 305:337)D305 - 337
60X-RAY DIFFRACTION60(chain D and resid 338:355)D338 - 355
61X-RAY DIFFRACTION61(chain D and resid 356:378)D356 - 378
62X-RAY DIFFRACTION62(chain D and resid 379:393)D379 - 393
63X-RAY DIFFRACTION63(chain D and resid 394:449)D394 - 449
64X-RAY DIFFRACTION64(chain D and resid 450:465)D450 - 465
65X-RAY DIFFRACTION65(chain E and resid 20:29)E20 - 29
66X-RAY DIFFRACTION66(chain E and resid 30:57)E30 - 57
67X-RAY DIFFRACTION67(chain E and resid 58:78)E58 - 78
68X-RAY DIFFRACTION68(chain E and resid 79:93)E79 - 93
69X-RAY DIFFRACTION69(chain E and resid 94:107)E94 - 107
70X-RAY DIFFRACTION70(chain E and resid 108:115)E108 - 115
71X-RAY DIFFRACTION71(chain E and resid 116:162)E116 - 162
72X-RAY DIFFRACTION72(chain E and resid 163:181)E163 - 181

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