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

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Basic information

Entry
Database: PDB / ID: 6bpe
TitlePlasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to monoclonal antibody 6H1
Components
  • Monoclonal antibody 6H1 Fab heavy chain
  • Monoclonal antibody 6H1 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 / 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: 3.34 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 6H1 Fab heavy chain
C: Monoclonal antibody 6H1 Fab light chain
D: Reticulocyte binding protein 2, putative
E: Monoclonal antibody 6H1 Fab heavy chain
F: Monoclonal antibody 6H1 Fab light chain
G: Reticulocyte binding protein 2, putative
H: Monoclonal antibody 6H1 Fab heavy chain
I: Monoclonal antibody 6H1 Fab light chain
J: Reticulocyte binding protein 2, putative


Theoretical massNumber of molelcules
Total (without water)307,59110
Polymers307,59110
Non-polymers00
Water0
1
A: Reticulocyte binding protein 2, putative
B: Monoclonal antibody 6H1 Fab heavy chain
C: Monoclonal antibody 6H1 Fab light chain


Theoretical massNumber of molelcules
Total (without water)90,3573
Polymers90,3573
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
D: Reticulocyte binding protein 2, putative
E: Monoclonal antibody 6H1 Fab heavy chain
F: Monoclonal antibody 6H1 Fab light chain


Theoretical massNumber of molelcules
Total (without water)90,3573
Polymers90,3573
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
G: Reticulocyte binding protein 2, putative
H: Monoclonal antibody 6H1 Fab heavy chain
I: Monoclonal antibody 6H1 Fab light chain


Theoretical massNumber of molelcules
Total (without water)90,3573
Polymers90,3573
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
J: Reticulocyte binding protein 2, putative


Theoretical massNumber of molelcules
Total (without water)36,5201
Polymers36,5201
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)106.600, 123.480, 143.280
Angle α, β, γ (deg.)90.000, 105.250, 90.000
Int Tables number4
Space group name H-MP1211

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Components

#1: Protein
Reticulocyte binding protein 2, putative


Mass: 36519.789 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Plasmodium vivax (strain Salvador I) (eukaryote)
Strain: Salvador I / Gene: PVX_094255 / Plasmid: pET-32a(+) / Production host: Escherichia coli (E. coli) / Strain (production host): SHuffle T7 / References: UniProt: A5K736
#2: Antibody Monoclonal antibody 6H1 Fab heavy chain


Mass: 27456.158 Da / Num. of mol.: 3 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse)
#3: Antibody Monoclonal antibody 6H1 Fab light chain


Mass: 26381.285 Da / Num. of mol.: 3 / Source method: isolated from a natural source / Source: (natural) Mus musculus (house mouse)

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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: 2.96 Å3/Da / Density % sol: 58.41 %
Crystal growTemperature: 295 K / Method: vapor diffusion, sitting drop / Details: 0.2 M (NH4)2SO4, 20% (w/v) PEG 3,350

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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: 3.34→75.49 Å / Num. obs: 51887 / % possible obs: 99.5 % / Redundancy: 3.3 % / CC1/2: 0.992 / Net I/σ(I): 5.5
Reflection shellResolution: 3.34→3.44 Å / Redundancy: 3.2 % / Mean I/σ(I) obs: 1.2 / Num. unique obs: 4485 / CC1/2: 0.612 / % possible all: 99.2

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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: 3.34→73.746 Å / SU ML: 0.55 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 40.26
RfactorNum. reflection% reflection
Rfree0.3667 1068 2.06 %
Rwork0.3175 --
obs0.3186 51741 99.19 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 214.75 Å2 / Biso mean: 86.8815 Å2 / Biso min: 20.63 Å2
Refinement stepCycle: final / Resolution: 3.34→73.746 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms17777 0 0 0 17777
Num. residues----2194
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00418168
X-RAY DIFFRACTIONf_angle_d0.7224537
X-RAY DIFFRACTIONf_chiral_restr0.0422687
X-RAY DIFFRACTIONf_plane_restr0.0043108
X-RAY DIFFRACTIONf_dihedral_angle_d4.96410944
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 8

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
3.34-3.4920.36691420.34686258640099
3.492-3.67610.37441180.34456347646599
3.6761-3.90640.42671380.33836279641799
3.9064-4.2080.35981340.32896354648899
4.208-4.63140.32821340.29696345647999
4.6314-5.30140.31791300.2963356465100
5.3014-6.67860.32581370.34326353649099
6.6786-73.76380.41631350.30056402653798
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)
10.31160.48310.70744.36250.02751.9017-0.2442-0.01410.17570.93810.04330.15920.29820.8630.06870.57560.0326-0.07111.30030.18710.318733.93785.563888.4082
22.57511.5559-1.40392.7162-1.17583.5415-0.10320.29941.3618-0.14240.31150.5590.4465-0.2566-0.04510.06180.17590.19790.5212-0.10910.46143.837920.120879.0334
34.9427-0.7757-0.17684.2975-0.01922.16630.0008-0.4226-0.26830.6364-0.31971.10750.2341-0.4012-0.19860.4683-0.68770.19851.1159-0.03470.462115.8412-0.646290.84
40.8783-1.7781.19084.6171-2.7037.3018-0.48970.2054-1.0910.0857-0.13190.38060.155-0.80470.44271.4052-0.20880.31550.5617-0.00080.855921.9338-8.485188.0671
50.7820.33830.12451.241.04881.8836-0.07410.0366-0.0189-0.0981-0.02130.05270.2597-0.21630.06790.6896-0.0532-0.34780.1481-0.4691-0.065236.39423.321277.7928
61.67530.51310.17212.64440.98794.771-0.4520.0501-0.44340.15640.3691-0.38050.21810.67760.02860.2401-0.03920.03670.43470.20220.47657.240922.868584.548
75.18860.2067-0.8552.25922.1053.41450.4384-0.6220.43920.0116-0.02230.03620.1687-0.4873-0.30850.49070.1891-0.03710.66820.13730.182936.24318.9497107.4689
80.8171-0.94991.44195.5985-6.40267.51260.5352-0.3888-0.08540.0414-0.04910.18480.43080.1331-0.36331.0971-0.95360.1291.78810.18130.708421.1182-9.104105.6788
92.3490.9826-0.54262.0452-0.36432.63720.4988-0.23250.0593-0.08890.2-0.0567-0.27650.24470.32440.2895-0.78290.25630.73080.35990.274542.52738.225498.3169
104.9372.1462-2.74771.1134-1.74863.60260.1974-0.6011-0.5029-0.2108-0.4156-0.2749-0.31560.79850.22270.22960.0318-0.00760.26640.03820.55858.651320.330390.9113
111.963-1.59210.15221.69450.66681.5166-0.176-0.5853-0.57511.278-0.04070.9730.5423-0.65050.06990.526-0.58570.29220.89330.52160.497326.82889.6994100.3034
120.55810.4765-0.77660.6296-0.33011.582-0.1578-0.2214-0.1428-0.1610.43460.57920.0289-1.0061-0.56710.8436-0.2182-0.29271.78220.83660.826510.267-3.7725110.8084
136.60920.0692.20960.50640.83054.9614-0.1875-0.2313-0.4410.10680.16890.27320.7993-0.501-0.06380.6369-0.54740.69760.62490.20721.161656.618417.048848.3885
140.33230.11810.522.7095-1.49431.8278-0.0403-0.20990.1021-0.49290.03490.58650.53250.5833-0.06020.1608-0.0057-0.13220.99010.14290.272355.122226.344350.7254
150.11110.0551-0.11530.0255-0.05580.1206-0.24250.2548-0.60590.71040.1474-1.0450.8592.19390.11791.52450.2748-0.4472.18830.39681.412370.257633.766850.9762
165.30722.3959-2.62412.9471-2.99484.54850.4712-0.32130.38350.2171-0.33260.24970.2871-0.4227-0.08370.46050.00390.76170.68540.46330.503853.816529.259460.671
172.25-0.4643-0.37051.8239-0.66262.41320.6270.35130.4079-0.066-0.5479-0.254-0.46020.3403-0.09920.36090.1610.12710.75660.39450.916153.339233.47752.2432
180.2289-0.38340.06555.35240.77181.144-0.0919-0.0241-0.04660.24080.0892-0.03790.47040.1348-0.09150.26740.0323-0.01250.0136-0.16380.875860.945422.796260.5988
191.69630.50850.27931.3121-2.30125.909-0.1560.83280.7768-0.12080.19290.4617-0.23330.50860.0680.42590.0086-0.05820.41890.23750.807764.706129.204636.2089
200.12390.1519-0.46311.0661-0.38211.7829-0.077-0.0058-0.2564-0.2622-0.0717-0.39890.69460.26260.4880.37180.0204-0.23430.66310.95490.613579.933426.903723.1577
217.9277-0.08920.25833.1481-2.80438.896-0.78720.8096-2.20410.34350.95870.45521.4567-0.0938-0.08390.4179-0.14640.20311.0198-0.28940.98474.389818.612228.4429
222.7532-4.1048-0.89246.40431.96761.6378-0.04980.0732-0.9685-0.0307-0.32250.06690.1635-0.10640.2160.2904-0.49330.25450.71970.15630.59381.545223.397532.8233
237.3843-3.5072-2.3686.2193-0.28194.6145-0.31290.8833-1.1325-0.23890.2190.52051.17841.4589-0.00770.71910.08180.05860.8733-0.08790.600777.347522.448124.2322
241.9993-0.34-6.5360.0320.09844.83580.2308-0.4121-0.14310.80140.1431-0.37630.8753-0.1237-0.44120.46430.1132-0.00051.0746-0.41830.591177.924121.039815.2816
250.0753-0.12830.09970.2903-0.11980.2143-0.16190.03130.048-0.13370.0263-0.05990.1440.1736-0.04381.4811-0.92460.52741.18910.47672.024780.156833.26559.8427
260.8937-0.4254-0.07920.79970.14810.02570.0931-0.12970.02930.07450.0278-0.39560.11680.3241-0.1330.11360.2569-0.1631.25090.07871.286988.448818.101958.244
272.9142-0.7836-2.22865.21352.20119.67520.17890.2770.28130.26930.1998-0.5146-0.77250.5327-0.62680.63060.17210.33130.6948-0.2080.342973.936227.295662.8354
282.0001-1.8751-3.06867.9566-4.03153.72680.44430.006-1.1047-0.18740.0964-0.0520.89450.9163-0.37240.22260.1351-0.26080.453-0.0620.601269.60618.15853.7006
296.89510.7777-2.69523.6551-2.80412.8979-0.33820.1951-0.36390.5647-0.162-0.3234-0.6119-0.34940.48670.56-0.03130.08690.87740.38380.233570.993516.194366.718
307.5824-4.8307-1.60233.5515-0.0112.5936-0.4415-0.9567-0.41370.63920.5194-0.3527-0.0449-0.1707-0.1611-0.01430.0249-0.03280.77990.29830.770479.31220.318766.3557
312.655-1.0522-2.68293.07620.74662.73510.08140.00140.1797-0.21380.1303-0.6151-0.09530.92430.11320.332-0.51410.10191.30480.23890.354575.475325.933858.1632
327.69971.3088-1.4734.06561.06950.7341-0.3714-0.5798-0.6971-0.2779-0.2658-0.5680.29390.57540.40320.46150.18890.25131.11820.22881.095294.508824.049132.0469
330.03480.02280.0340.1503-0.0780.10560.08910.46050.2974-0.4282-0.10160.06750.27240.1631-0.16070.590.35130.19141.39460.71870.788479.84233.79213.5391
341.1785-0.6862-1.75133.08182.63043.5732-0.26750.09421.1374-0.1040.8722-0.2123-0.53671.2506-0.49240.4917-0.4298-0.16711.23410.35861.225591.707234.963230.7133
352.1653-0.4470.15365.802-3.84244.63970.55720.4360.7298-0.4305-0.0134-0.804-0.4473-0.0137-0.07210.569-0.13120.06180.15370.34680.954786.632531.927129.3294
361.05510.0768-0.05170.67920.08140.24670.0914-0.19590.01330.40830.0110.0683-0.02460.13660.1730.7316-0.1450.65131.72620.82641.020898.843132.728628.6817
375.77061.4024-3.80671.2865-1.24784.53360.7092-0.4230.35930.4067-0.3218-0.1178-0.63830.804-0.34120.74860.44770.1081.51060.02210.291736.05076.841346.8565
380.80770.3201-1.03691.38291.07553.0962-0.01660.33180.1189-0.4875-0.03510.24490.4938-0.494-0.17470.24670.0828-0.23980.67580.13-0.2728.700416.648451.2283
391.39590.30580.58642.88-0.43597.07460.78740.62441.99210.38930.05290.02-0.78010.57-0.85650.34470.06880.22830.54060.09350.953317.501929.222156.4075
401.1202-0.1590.00512.11771.0113.2448-0.2111-0.28270.06290.0687-0.15320.23310.2877-0.30360.02320.40490.14370.34660.6336-0.57070.67532.798818.23960.0755
410.033-0.07660.03880.1864-0.08580.03880.2208-0.2375-0.01571.28230.0078-0.0230.0320.1919-0.1060.4276-0.14360.03560.3691-0.0290.586646.50926.608554.1012
421.2154-1.096-0.35963.5534-0.81551.987-0.34020.0334-0.87360.1878-0.0327-0.21540.98030.78390.37620.43180.57210.12260.8453-0.33430.681655.7322-3.681843.7671
431.14530.68570.65880.6653-0.18173.6983-0.329-0.2372-0.383-0.21840.0037-0.34451.21690.3680.23050.94210.31870.37340.1404-0.1806-0.217937.51651.575954.7803
441.7080.94980.41122.3687-1.49882.2023-0.0640.74290.7367-0.1858-0.2281-0.0009-0.3257-0.25270.38210.29580.18990.03260.8577-0.08640.664114.057423.446847.6009
454.08791-0.65962.3151-2.533.66210.51140.66050.5482-0.45480.00350.05790.96730.08810.05980.42580.30610.08241.559-0.38630.449338.69781.238826.8021
463.0299-1.69510.29951.99980.65251.72720.26350.9642-0.2194-0.0794-0.3965-0.09410.8177-0.2460.0790.62520.25330.08621.2625-0.02790.618528.6337.274536.8272
473.7463-1.6272-1.17790.65320.66780.7922-0.12510.53221.0315-0.28550.2442-0.26410.32030.3807-0.2222-0.41080.3844-0.22351.2294-0.10580.587130.649314.485539.6771
48-0.0003-0.0047-0.00040.0219-0.0003-0.0008-0.76830.4547-0.49-0.74020.3508-0.2270.13430.32730.24242.50920.7097-0.21492.0731-0.43641.135662.3871-5.176324.2702
497.7053-3.7651-0.81927.3043-2.38661.6097-0.1383-0.78950.52871.18330.0732-1.07860.03050.13880.21080.56490.234-0.15610.37020.1750.514813.339420.929387.812
503.8034-0.6982-3.71852.5177-0.03913.85150.71580.0192-0.0227-2.33281.0801-1.88190.5122.9072-1.77231.144-0.08230.1411.2924-0.11411.345415.368438.135996.7634
515.1531-1.6577-1.23082.0826-1.45562.5271-0.7722-0.49740.59550.1564-0.39430.0630.73140.3430.6110.3970.4579-0.00151.0167-0.44440.749115.024124.619979.676
525.0044-0.1586-1.32051.5389-1.87042.7131-0.69160.04950.3796-0.1295-0.55510.20730.509-0.07970.84080.4408-0.01360.13280.5439-0.2911.048512.748635.386676.8575
530.56980.642-0.82642.1106-1.22464.8210.2959-0.77260.38010.340.1237-0.7102-0.63321.2665-0.49890.71540.22310.17141.1494-0.53321.139521.297830.098982.2591
541.974-1.0894-0.93066.39572.78354.63340.13550.05940.30590.06280.2889-0.3622-0.694-0.0062-0.42060.60990.02650.28990.6529-0.67290.93739.398136.858688.4262
551.78710.282-0.60.1440.27451.4927-0.1641-0.3924-0.25840.20870.1634-0.3166-0.0203-0.03380.070.13410.43390.02740.58030.03550.35569.281324.006871.8785
561.8370.39650.52991.0467-0.8171.0225-0.8559-0.4181-0.06570.4763-0.070.08890.4669-0.2219-1.19120.43940.31380.57070.4381-0.48820.32748.186630.473791.6642
573.13982.1836-1.08542.4053-0.65530.40610.1367-0.39920.10830.4483-0.41930.6880.3195-0.49160.36030.6153-0.53790.24991.0568-0.61850.7243-2.571431.7172113.5451
581.1001-0.7326-0.50143.74442.02663.4973-0.2093-0.8401-0.2825-0.4298-0.15280.71331.58030.46210.55930.79240.05580.0060.5179-0.19730.4648-6.153426.8344108.737
596.70070.11432.34991.56371.69234.46730.5976-0.7191-0.73930.34470.1851-0.31521.0224-0.6332-0.50770.61850.0805-0.04370.6871-0.12320.6316-10.184724.6563106.9246
603.4828-2.27831.71451.95460.20484.5150.4098-1.321-0.41580.20140.7041-0.46821.10350.1504-0.83490.84740.2537-0.35231.2686-0.38261.0041-4.334321.9132115.4171
613.1845-1.22341.07621.1026-0.19550.444-0.1277-1.1479-0.5262-0.0805-0.21560.37110.0001-0.20060.6210.75850.356-0.0111.6525-0.81312.2043-10.266133.837775.7257
623.17120.2682-0.52542.09190.77922.1208-0.26460.3530.1269-0.48490.09741.0471-0.0423-0.7538-0.00690.24180.0315-0.15341.12340.04770.8191-10.125226.481570.609
636.59591.2320.27762.6683-4.49888.59210.6814-0.00440.40141.22050.7991-0.2214-1.01190.0023-1.14680.42230.06920.03160.2797-0.00120.6383-1.030321.570582.1368
640.9244-0.8456-0.09551.01610.77782.39180.1247-0.03240.3938-0.1575-0.25620.9290.4524-0.44850.2570.26230.17620.1603-0.1207-0.26891.0417-3.508623.638170.4513
652.9972-3.9232-1.81055.37033.13744.18630.0449-0.18780.74480.4418-0.67690.51410.2566-0.16030.2240.4217-0.06770.10421.0737-0.2160.7106-9.574628.168480.9956
667.7321.0115-2.56083.9416-3.00182.79930.1980.1169-0.46340.9699-0.52670.04010.3373-0.41750.13460.9035-0.3721-0.2110.50250.09840.57-24.197123.323298.5234
672.7675-2.55910.98243.82-3.50794.99190.3286-0.3581-0.04180.3719-0.6608-0.1331-0.25360.18250.15221.7582-0.66870.34630.9999-0.29420.9483-11.529735.5688118.5302
684.06530.74960.83744.4835-2.72653.26380.1459-0.10610.33680.3801-0.31020.2009-0.3372-0.16970.1940.7857-0.1567-0.42810.8063-0.19870.2979-21.905526.205798.5016
698.1245-0.1091.82374.6259-1.95942.9802-0.0496-0.65912.0595-0.09540.34520.302-0.2319-0.1633-0.45490.62870.03980.34360.85130.08390.9231-21.574139.4492103.9078
701.747-2.8428-1.87425.66985.05255.85070.20770.7918-0.3217-0.7940.0359-0.10990.16881.1415-0.22050.44270.13480.05340.922-0.340.9173-16.578822.330295.0202
713.86382.66780.19475.5053-4.15065.01240.2957-2.05781.35781.8029-0.16520.3411-1.59980.1691-0.16270.7667-0.0774-0.05461.3719-0.3631.0466-15.923842.9044116.6245
720.45430.72430.01562.1981-0.76080.60640.9703-0.83590.88580.73940.23340.4058-0.66470.0347-0.50840.81380.19160.2051.2573-0.38250.9494-28.12334.5187109.2363
734.3459-0.409-3.09594.394-0.78043.8493-0.4541-0.64490.0424-0.14830.22570.07540.0541-0.65240.17980.41260.1043-0.04951.0655-0.03590.41630.29585.1089143.3596
740.6271.15950.0065.7163-1.52571.34920.1548-0.0505-0.9227-0.87590.01040.07281.07120.1265-0.15050.67450.35550.15120.37510.39520.886549.1076-10.443137.0519
758.2974-4.5416-4.82426.32281.15374.74930.7462-0.60281.3888-0.08420.1797-0.3163-0.42580.1848-0.97450.38920.0434-0.01690.4615-0.01750.479831.808616.4257146.2618
760.71640.58250.71461.42790.10910.92870.8263-0.44360.6210.6379-0.40050.4647-1.037-0.7504-0.18840.5766-0.02920.32961.0456-0.52580.883713.577728.8827152.3786
773.32380.4881-1.15375.13041.47793.2792-0.6396-0.50470.3697-0.4567-0.03920.6504-0.7954-0.01930.15450.42520.00820.0931.38020.03260.206232.49729.3087134.1876
782.97282.79781.45492.63141.36390.7099-0.40180.5584-1.1494-0.77120.4093-0.71540.3657-0.0369-0.21271.9202-0.97530.31241.0524-0.12061.523346.2854-21.2496125.8477
792.76661.70012.54225.5235-0.2013.0340.37580.4814-0.7567-0.50570.0603-0.6870.27040.3556-0.33810.38330.35640.46960.19670.00051.069136.7104-20.6292142.7049
806.17830.21281.0571.96970.66450.8873-0.9128-0.54110.49690.0079-0.2546-0.23580.5415-0.88790.68961.11640.35550.06661.63030.30650.452317.6075-6.9069154.1568
815.04360.6053-2.68950.3582-0.72661.9970.5533-0.61731.23920.43450.4090.4432-0.5096-1.3146-0.46020.26720.2514-0.16951.5701-0.08960.5669.276910.3434150.7036
822.07980.0595-2.19110.00610.01424.5185-0.9476-0.1804-1.1181.3428-0.04290.6620.9709-0.76020.7341.7093-0.06380.94241.1718-0.32811.456831.4521-20.8731134.2343
831.8586-0.8913-0.55622.3395-0.06050.7203-0.6088-0.6856-0.3119-0.04740.0732-0.6352-0.0692-0.33240.21470.20390.16310.00020.9548-0.09580.716523.39980.7948150.6767
841.6089-1.37183.18676.4779-2.58536.6213-0.0955-0.0797-0.3928-0.7358-1.07-2.38460.23111.51651.0622.2365-0.5625-0.36191.64060.70951.7335-0.997224.3044167.9235
856.5869-5.09130.85835.1131-1.21341.6397-0.0076-1.22230.30550.49760.792-1.01060.1060.083-0.59481.0587-0.3927-0.25220.8969-0.1810.866776.32195.9765118.999
863.3333-2.9213-1.30912.79780.56021.8382-0.0415-0.5888-0.11910.39410.48640.4393-0.48020.7429-0.11870.3308-0.01550.15440.8083-0.16770.897258.5293.0678122.1319
872.4581-0.7332-4.13625.6492-3.17271.9997-0.149-1.09230.8611-0.2697-0.1302-0.0523-1.84771.87290.19612.53360.7235-0.88152.2481-0.64431.377769.9572-12.3873112.7061
883.1354-4.2464-4.84256.40687.01187.96331.20420.8095-0.2512-1.8658-0.9945-0.0887-0.5214-0.5887-0.19060.71760.2729-0.02050.48760.38220.634962.3177-2.9461128.9246
895.0153-2.30233.39364.8876-0.46243.37740.4329-0.4366-0.6311-0.10140.4823-0.3936-0.00780.4502-0.75970.1558-0.13150.1821.28580.0460.282867.43720.746128.3851
900.8291-0.472-0.1821.1619-0.7960.9549-0.60490.2086-0.0660.0248-0.00680.08210.4318-0.40110.30890.40590.46940.2491.1884-0.6280.917968.2918-2.1637118.5613
912.5872.3561-2.0066.2044-2.80392.3476-0.2858-0.0583-0.30890.2566-0.3814-0.58130.3208-0.63040.58971.5557-0.97660.32941.2963-0.28310.854955.4554-22.0642103.832
924.1225-3.4473.42094.8775-3.4773.02890.48030.65720.5524-0.2557-0.42380.6502-0.6971-0.89780.03811.40111.04580.51652.48780.06631.559359.0165-26.4634122.5435
933.6041.8957-2.48672.7006-2.39552.4085-0.08290.01650.53490.0112-0.5807-0.2997-2.17453.47630.46551.2849-0.62440.02621.73420.06860.698556.5031-15.3198114.5097
941.19540.3507-0.04911.2852-2.00863.6032-0.45470.0855-0.28040.39670.14920.44261.2494-0.68040.03331.1287-0.42210.48481.6476-0.20480.397352.9373-9.9678111.0343
952.2905-2.16180.84052.1599-1.50744.998-0.01230.705-1.50290.00020.63430.76651.4380.6216-0.02380.8392-0.33320.37411.1436-0.74921.447552.9406-17.5908109.192
966.54351.932-6.07743.7231-2.49066.6996-0.44260.4663-0.5561-0.98480.4561-0.31350.7629-0.78650.00381.5845-0.02321.00340.83510.11021.586361.1-15.6333123.2082
971.98730.57260.58352.331.12681.66480.29930.3688-0.04960.3472-0.3090.03691.2926-0.16160.06861.0128-0.5163-0.10271.71050.1340.5885-2.4192-1.0877132.2069
987.0053-1.8527-1.97695.43851.56036.87860.1436-0.05690.25420.1453-0.5881-0.7953-0.1250.36110.27171.4733-1.11760.0852.2040.04310.8033-17.6677-3.2113137.4782
991.6736-0.21230.07462.7206-0.34153.5129-0.0194-0.10350.4854-0.01170.92390.9875-0.4821-1.053-0.38310.8967-0.1181-0.44661.23850.29991.04850.959517.079126.1097
1000.26810.09150.72740.5531.53345.1109-0.17680.00820.3447-0.43150.26060.0227-0.98930.19620.37751.8063-0.7304-0.62160.98320.03780.70817.045127.2562122.8012
1011.5689-0.226-1.9180.03240.27942.3373-0.67080.23170.28540.0311-0.11830.177-0.5471-0.20380.35750.6304-0.3811-0.07392.43290.44540.9387-0.426711.4311138.7679
1023.7323-0.3858-1.06052.4641-0.93640.7302-0.8462-0.1849-0.9495-0.22510.57310.06290.9437-0.52590.03441.7863-1.16150.25112.12810.06380.6567-7.8655-19.1191142.5074
1030.7070.0522-0.16822.5513-0.78894.425-0.5650.4841-0.5092-0.28880.02590.20430.6347-1.08110.49081.2882-0.40810.14361.6869-0.02340.54128.9937-12.3925121.6574
1043.2445-0.9622-0.73630.99871.15422.1557-0.0145-0.4013-0.12020.1103-0.2822-0.95490.59120.21560.17550.905-0.70160.11831.41190.47580.524920.16983.3874124.3626
1051.18360.7483-0.28661.0917-0.26270.0792-0.35190.1003-0.7651-0.0822-0.4436-0.23031.0565-0.52940.71921.4045-0.09360.28251.2077-0.33960.7534-1.7476-24.8737146.9887
1060.7409-0.49230.91760.3464-0.71371.64490.13440.04650.1231-0.2066-0.24860.0577-0.6067-0.6102-0.05332.1935-0.25410.96631.7381-0.87391.3584-0.7809-15.6515141.0567
1072.4987-0.3001-3.18810.0670.36844.1031-0.61960.79760.1326-0.0599-0.3068-0.35611.0553-0.36780.20210.8853-0.4239-0.16511.72750.54940.855210.45042.8376120.1713
1083.31962.0769-2.36592.4266-1.33392.2808-0.24510.77371.3441-0.45280.26910.2208-0.4240.2270.07941.1691-0.8336-0.36711.84880.51781.534430.010319.0643107.267
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1(chain A and resid 169:187)A169 - 187
2X-RAY DIFFRACTION2(chain A and resid 188:244)A188 - 244
3X-RAY DIFFRACTION3(chain A and resid 245:262)A245 - 262
4X-RAY DIFFRACTION4(chain A and resid 263:279)A263 - 279
5X-RAY DIFFRACTION5(chain A and resid 280:291)A280 - 291
6X-RAY DIFFRACTION6(chain A and resid 292:334)A292 - 334
7X-RAY DIFFRACTION7(chain A and resid 335:354)A335 - 354
8X-RAY DIFFRACTION8(chain A and resid 355:378)A355 - 378
9X-RAY DIFFRACTION9(chain A and resid 379:403)A379 - 403
10X-RAY DIFFRACTION10(chain A and resid 404:437)A404 - 437
11X-RAY DIFFRACTION11(chain A and resid 438:457)A438 - 457
12X-RAY DIFFRACTION12(chain A and resid 458:467)A458 - 467
13X-RAY DIFFRACTION13(chain B and resid 19:28)B19 - 28
14X-RAY DIFFRACTION14(chain B and resid 29:59)B29 - 59
15X-RAY DIFFRACTION15(chain B and resid 60:65)B60 - 65
16X-RAY DIFFRACTION16(chain B and resid 66:73)B66 - 73
17X-RAY DIFFRACTION17(chain B and resid 74:113)B74 - 113
18X-RAY DIFFRACTION18(chain B and resid 114:125)B114 - 125
19X-RAY DIFFRACTION19(chain B and resid 126:146)B126 - 146
20X-RAY DIFFRACTION20(chain B and resid 147:170)B147 - 170
21X-RAY DIFFRACTION21(chain B and resid 171:184)B171 - 184
22X-RAY DIFFRACTION22(chain B and resid 185:193)B185 - 193
23X-RAY DIFFRACTION23(chain B and resid 194:229)B194 - 229
24X-RAY DIFFRACTION24(chain B and resid 230:236)B230 - 236
25X-RAY DIFFRACTION25(chain C and resid 27:35)C27 - 35
26X-RAY DIFFRACTION26(chain C and resid 36:45)C36 - 45
27X-RAY DIFFRACTION27(chain C and resid 46:65)C46 - 65
28X-RAY DIFFRACTION28(chain C and resid 66:71)C66 - 71
29X-RAY DIFFRACTION29(chain C and resid 72:82)C72 - 82
30X-RAY DIFFRACTION30(chain C and resid 83:99)C83 - 99
31X-RAY DIFFRACTION31(chain C and resid 100:131)C100 - 131
32X-RAY DIFFRACTION32(chain C and resid 132:143)C132 - 143
33X-RAY DIFFRACTION33(chain C and resid 144:153)C144 - 153
34X-RAY DIFFRACTION34(chain C and resid 154:184)C154 - 184
35X-RAY DIFFRACTION35(chain C and resid 185:213)C185 - 213
36X-RAY DIFFRACTION36(chain C and resid 214:229)C214 - 229
37X-RAY DIFFRACTION37(chain D and resid 169:188)D169 - 188
38X-RAY DIFFRACTION38(chain D and resid 189:202)D189 - 202
39X-RAY DIFFRACTION39(chain D and resid 203:225)D203 - 225
40X-RAY DIFFRACTION40(chain D and resid 226:237)D226 - 237
41X-RAY DIFFRACTION41(chain D and resid 238:250)D238 - 250
42X-RAY DIFFRACTION42(chain D and resid 251:271)D251 - 271
43X-RAY DIFFRACTION43(chain D and resid 272:293)D272 - 293
44X-RAY DIFFRACTION44(chain D and resid 294:339)D294 - 339
45X-RAY DIFFRACTION45(chain D and resid 340:361)D340 - 361
46X-RAY DIFFRACTION46(chain D and resid 362:418)D362 - 418
47X-RAY DIFFRACTION47(chain D and resid 419:459)D419 - 459
48X-RAY DIFFRACTION48(chain D and resid 460:470)D460 - 470
49X-RAY DIFFRACTION49(chain E and resid 21:28)E21 - 28
50X-RAY DIFFRACTION50(chain E and resid 29:37)E29 - 37
51X-RAY DIFFRACTION51(chain E and resid 38:59)E38 - 59
52X-RAY DIFFRACTION52(chain E and resid 60:85)E60 - 85
53X-RAY DIFFRACTION53(chain E and resid 86:102)E86 - 102
54X-RAY DIFFRACTION54(chain E and resid 103:115)E103 - 115
55X-RAY DIFFRACTION55(chain E and resid 116:125)E116 - 125
56X-RAY DIFFRACTION56(chain E and resid 126:139)E126 - 139
57X-RAY DIFFRACTION57(chain E and resid 140:148)E140 - 148
58X-RAY DIFFRACTION58(chain E and resid 149:179)E149 - 179
59X-RAY DIFFRACTION59(chain E and resid 180:212)E180 - 212
60X-RAY DIFFRACTION60(chain E and resid 213:237)E213 - 237
61X-RAY DIFFRACTION61(chain F and resid 27:35)F27 - 35
62X-RAY DIFFRACTION62(chain F and resid 36:59)F36 - 59
63X-RAY DIFFRACTION63(chain F and resid 60:70)F60 - 70
64X-RAY DIFFRACTION64(chain F and resid 71:121)F71 - 121
65X-RAY DIFFRACTION65(chain F and resid 122:129)F122 - 129
66X-RAY DIFFRACTION66(chain F and resid 130:142)F130 - 142
67X-RAY DIFFRACTION67(chain F and resid 143:157)F143 - 157
68X-RAY DIFFRACTION68(chain F and resid 158:166)F158 - 166
69X-RAY DIFFRACTION69(chain F and resid 167:188)F167 - 188
70X-RAY DIFFRACTION70(chain F and resid 189:200)F189 - 200
71X-RAY DIFFRACTION71(chain F and resid 201:212)F201 - 212
72X-RAY DIFFRACTION72(chain F and resid 213:233)F213 - 233
73X-RAY DIFFRACTION73(chain G and resid 168:204)G168 - 204
74X-RAY DIFFRACTION74(chain G and resid 205:225)G205 - 225
75X-RAY DIFFRACTION75(chain G and resid 226:257)G226 - 257
76X-RAY DIFFRACTION76(chain G and resid 258:271)G258 - 271
77X-RAY DIFFRACTION77(chain G and resid 272:306)G272 - 306
78X-RAY DIFFRACTION78(chain G and resid 307:316)G307 - 316
79X-RAY DIFFRACTION79(chain G and resid 317:332)G317 - 332
80X-RAY DIFFRACTION80(chain G and resid 333:349)G333 - 349
81X-RAY DIFFRACTION81(chain G and resid 350:395)G350 - 395
82X-RAY DIFFRACTION82(chain G and resid 396:421)G396 - 421
83X-RAY DIFFRACTION83(chain G and resid 422:462)G422 - 462
84X-RAY DIFFRACTION84(chain G and resid 463:469)G463 - 469
85X-RAY DIFFRACTION85(chain H and resid 24:39)H24 - 39
86X-RAY DIFFRACTION86(chain H and resid 40:57)H40 - 57
87X-RAY DIFFRACTION87(chain H and resid 58:64)H58 - 64
88X-RAY DIFFRACTION88(chain H and resid 65:76)H65 - 76
89X-RAY DIFFRACTION89(chain H and resid 77:100)H77 - 100
90X-RAY DIFFRACTION90(chain H and resid 101:136)H101 - 136
91X-RAY DIFFRACTION91(chain I and resid 41:47)I41 - 47
92X-RAY DIFFRACTION92(chain I and resid 48:54)I48 - 54
93X-RAY DIFFRACTION93(chain I and resid 55:61)I55 - 61
94X-RAY DIFFRACTION94(chain I and resid 62:79)I62 - 79
95X-RAY DIFFRACTION95(chain I and resid 80:111)I80 - 111
96X-RAY DIFFRACTION96(chain I and resid 112:120)I112 - 120
97X-RAY DIFFRACTION97(chain J and resid 169:216)J169 - 216
98X-RAY DIFFRACTION98(chain J and resid 217:229)J217 - 229
99X-RAY DIFFRACTION99(chain J and resid 230:256)J230 - 256
100X-RAY DIFFRACTION100(chain J and resid 257:275)J257 - 275
101X-RAY DIFFRACTION101(chain J and resid 276:299)J276 - 299
102X-RAY DIFFRACTION102(chain J and resid 300:328)J300 - 328
103X-RAY DIFFRACTION103(chain J and resid 329:342)J329 - 342
104X-RAY DIFFRACTION104(chain J and resid 343:409)J343 - 409
105X-RAY DIFFRACTION105(chain J and resid 410:420)J410 - 420
106X-RAY DIFFRACTION106(chain J and resid 421:428)J421 - 428
107X-RAY DIFFRACTION107(chain J and resid 429:460)J429 - 460
108X-RAY DIFFRACTION108(chain J and resid 461:465)J461 - 465

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