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- PDB-6s9j: Crystal structure of TfR1 mimicry in complex with GP1 from MACV -

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Basic information

Entry
Database: PDB / ID: 6s9j
TitleCrystal structure of TfR1 mimicry in complex with GP1 from MACV
Components
  • Pre-glycoprotein polyprotein GP complex
  • Transferrin receptor 1,Transferrin receptor 1
KeywordsVIRAL PROTEIN / Immunotherapy / glycoprotein / Viral
Function / homology
Function and homology information


transferrin receptor activity / transferrin transport / metalloexopeptidase activity / host cell Golgi membrane / receptor internalization / melanosome / intracellular iron ion homeostasis / receptor-mediated endocytosis of virus by host cell / membrane => GO:0016020 / host cell endoplasmic reticulum membrane ...transferrin receptor activity / transferrin transport / metalloexopeptidase activity / host cell Golgi membrane / receptor internalization / melanosome / intracellular iron ion homeostasis / receptor-mediated endocytosis of virus by host cell / membrane => GO:0016020 / host cell endoplasmic reticulum membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / virion membrane / membrane / metal ion binding / plasma membrane
Similarity search - Function
Transferrin receptor protein 1 / Transferrin receptor protein 1/2, PA domain / Arenavirus glycoprotein, zinc binding domain / Arenavirus glycoprotein / Arenavirus glycoprotein / Transferrin receptor-like, dimerisation domain / Transferrin receptor-like, dimerisation domain superfamily / Glutamate carboxypeptidase 2-like / Transferrin receptor-like dimerisation domain / Glucose Oxidase; domain 1 - #30 ...Transferrin receptor protein 1 / Transferrin receptor protein 1/2, PA domain / Arenavirus glycoprotein, zinc binding domain / Arenavirus glycoprotein / Arenavirus glycoprotein / Transferrin receptor-like, dimerisation domain / Transferrin receptor-like, dimerisation domain superfamily / Glutamate carboxypeptidase 2-like / Transferrin receptor-like dimerisation domain / Glucose Oxidase; domain 1 - #30 / PA domain / PA domain / Glucose Oxidase; domain 1 / Peptidase M28 / Peptidase family M28 / 3-Layer(bba) Sandwich / Alpha Beta
Similarity search - Domain/homology
Transferrin receptor protein 1 / Pre-glycoprotein polyprotein GP complex
Similarity search - Component
Biological speciesMachupo virus
Neotoma albigula (white-throated woodrat)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.698 Å
AuthorsDiskin, R. / Cohen-Dvashi, H.
CitationJournal: Nat Commun / Year: 2020
Title: Rational design of universal immunotherapy for TfR1-tropic arenaviruses.
Authors: Cohen-Dvashi, H. / Amon, R. / Agans, K.N. / Cross, R.W. / Borenstein-Katz, A. / Mateo, M. / Baize, S. / Padler-Karavani, V. / Geisbert, T.W. / Diskin, R.
History
DepositionJul 15, 2019Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jan 15, 2020Provider: repository / Type: Initial release
Revision 2.0Jul 29, 2020Group: Atomic model / Data collection ...Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / struct_asym / struct_conn / struct_site / struct_site_gen
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.type_symbol / _chem_comp.name / _chem_comp.type / _entity.formula_weight / _entity.pdbx_description / _entity.pdbx_number_of_molecules / _entity.type / _pdbx_struct_assembly_gen.asym_id_list / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Jan 24, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
B: Pre-glycoprotein polyprotein GP complex
A: Transferrin receptor 1,Transferrin receptor 1
D: Pre-glycoprotein polyprotein GP complex
C: Transferrin receptor 1,Transferrin receptor 1
F: Pre-glycoprotein polyprotein GP complex
E: Transferrin receptor 1,Transferrin receptor 1
H: Pre-glycoprotein polyprotein GP complex
G: Transferrin receptor 1,Transferrin receptor 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)157,97913
Polymers155,9808
Non-polymers1,9995
Water75742
1
B: Pre-glycoprotein polyprotein GP complex
A: Transferrin receptor 1,Transferrin receptor 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,5696
Polymers38,9952
Non-polymers1,5744
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
D: Pre-glycoprotein polyprotein GP complex
C: Transferrin receptor 1,Transferrin receptor 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)39,4193
Polymers38,9952
Non-polymers4241
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
F: Pre-glycoprotein polyprotein GP complex
E: Transferrin receptor 1,Transferrin receptor 1


Theoretical massNumber of molelcules
Total (without water)38,9952
Polymers38,9952
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
H: Pre-glycoprotein polyprotein GP complex
G: Transferrin receptor 1,Transferrin receptor 1


Theoretical massNumber of molelcules
Total (without water)38,9952
Polymers38,9952
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)104.626, 104.626, 281.363
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number95
Space group name H-MP4322

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Components

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Protein , 2 types, 8 molecules BDFHACEG

#1: Protein
Pre-glycoprotein polyprotein GP complex / Pre-GP-C


Mass: 19343.811 Da / Num. of mol.: 4 / Fragment: UNP residues 85-244
Source method: isolated from a genetically manipulated source
Details: GSHHHHHH is an expression tag / Source: (gene. exp.) Machupo virus / Gene: GPC / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: Q8AZ57
#2: Protein
Transferrin receptor 1,Transferrin receptor 1


Mass: 19651.193 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Details: SGHHHHHH is an expression tag,SGHHHHHH is an expression tag
Source: (gene. exp.) Neotoma albigula (white-throated woodrat)
Gene: TfR1 / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: A0A060BIS8

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Sugars , 3 types, 5 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.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam 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
[]{[(4+1)][b-D-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.: 1
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.: 3
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

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Non-polymers , 1 types, 42 molecules

#6: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 42 / Source method: isolated from a natural source / Formula: H2O

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Details

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: 2.47 Å3/Da / Density % sol: 50.17 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop
Details: 0.2 M Na Thiocyanate pH 6.9, 20% PEG 3350 and 5% MPD

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID30B / Wavelength: 0.9198 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Mar 8, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9198 Å / Relative weight: 1
ReflectionResolution: 2.698→50 Å / Num. obs: 41703 / % possible obs: 94.3 % / Redundancy: 10.2 % / CC1/2: 0.998 / Rpim(I) all: 0.038 / Net I/σ(I): 17.2
Reflection shellResolution: 2.698→2.75 Å / Mean I/σ(I) obs: 0.9 / Num. unique obs: 1000 / CC1/2: 0.3 / Rpim(I) all: 0.483 / % possible all: 46.5

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Processing

Software
NameVersionClassification
PHENIX(dev_2871: ???)refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3KAS

3kas


Resolution: 2.698→49.559 Å / SU ML: 0.36 / Cross valid method: FREE R-VALUE / σ(F): 1.48 / Phase error: 29.72
RfactorNum. reflection% reflection
Rfree0.2665 1999 5.46 %
Rwork0.2412 --
obs0.2426 36590 83.12 %
Solvent computationShrinkage radii: 0.7 Å / VDW probe radii: 1 Å
Refinement stepCycle: LAST / Resolution: 2.698→49.559 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9542 0 131 42 9715
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0069903
X-RAY DIFFRACTIONf_angle_d0.94913408
X-RAY DIFFRACTIONf_dihedral_angle_d8.3163686
X-RAY DIFFRACTIONf_chiral_restr0.0521481
X-RAY DIFFRACTIONf_plane_restr0.0061711
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.6982-2.76560.4399320.3732557X-RAY DIFFRACTION19
2.7656-2.84040.3427530.3379913X-RAY DIFFRACTION31
2.8404-2.9240.3351780.33641362X-RAY DIFFRACTION47
2.924-3.01840.3831200.34142054X-RAY DIFFRACTION71
3.0184-3.12620.37861620.33522797X-RAY DIFFRACTION96
3.1262-3.25140.34391670.28972898X-RAY DIFFRACTION99
3.2514-3.39930.29251680.27452915X-RAY DIFFRACTION99
3.3993-3.57850.28261700.25042934X-RAY DIFFRACTION100
3.5785-3.80260.26891700.23782955X-RAY DIFFRACTION100
3.8026-4.09610.24881720.21922967X-RAY DIFFRACTION100
4.0961-4.5080.19731720.18232971X-RAY DIFFRACTION99
4.508-5.15980.23791740.18963012X-RAY DIFFRACTION100
5.1598-6.49850.24981770.23543053X-RAY DIFFRACTION100
6.4985-49.5590.24021840.23033203X-RAY DIFFRACTION99
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
13.2983-0.7283-0.04920.5812-0.13710.95860.0008-0.21620.3740.1292-0.1884-0.2516-0.23990.4417-0.31530.235-0.3642-0.07830.98960.11550.601732.095951.03291.723
22.3762-0.9599-0.35641.3879-0.3212.0666-0.1601-0.27030.43250.17760.0273-0.1941-0.24650.14740.26240.1151-0.0583-0.10820.5512-0.02260.212516.343348.2857296.862
30.95860.3281-0.9362.4153-0.27170.923-0.0021-0.4750.2510.32210.0567-0.6296-0.72120.9285-0.1660.6102-0.3767-0.16410.6039-0.10130.190519.178158.279300.8363
44.1156-2.12581.52774.01240.22673.83780.44420.6320.0393-0.4887-0.26510.0147-0.9020.4107-0.15080.3181-0.0886-0.00890.32710.01540.108716.010456.1816285.1472
52.3018-1.8343-0.75622.3931.96874.6007-0.06220.98010.2-0.35820.0505-0.27-0.40840.23950.0790.1752-0.0610.03660.54120.05480.158519.004449.0571281.4611
61.8213-0.98860.66413.08350.08631.7887-0.06160.096-0.1211-0.09870.014-1.5278-0.08721.0857-0.19640.1561-0.0565-0.04190.94260.02420.751430.046545.5406295.4228
78.424-0.87371.77817.345-0.74726.58110.00080.4453-0.52080.0643-0.1244-0.62660.42140.5144-0.01460.1020.0845-0.09980.5238-0.01430.190917.658136.7823299.379
83.5515-0.6925-3.51450.5481.00973.7295-0.1027-1.0379-1.8581.51970.07520.26051.09550.67480.04831.01690.1077-0.11960.67330.34870.756513.622328.9504311.7264
96.02430.4351-0.24135.0119-0.30194.9776-0.10580.5269-0.8349-0.23090.11820.19630.8267-0.08280.07030.205-0.08050.02060.22720.05460.19640.698426.0247298.2857
102.7853-2.6395-0.78275.99794.64484.6938-0.137-0.1995-1.11460.002-0.18360.2021.24070.12360.17990.35770.04770.09570.16790.15250.45690.985820.1169305.0096
117.78321.5615-1.81614.9995-1.8776.20530.1513-0.23-0.18010.7369-0.18461.01350.0458-0.6421-0.05640.2588-0.05180.05430.18550.00470.2532-2.013529.4358306.0894
120.39520.0027-0.32361.33130.77735.5324-0.482-0.6966-2.20791.2205-0.37150.84280.6749-0.29520.80810.83030.27680.1130.5820.03661.30780.405615.4569309.1066
130.6846-0.32591.18152.4703-1.20674.1663-0.1729-0.11120.08450.35620.0965-0.1432-0.32380.00270.03790.1181-0.0391-0.09760.28760.0920.02186.271837.932302.4393
144.6436-0.20390.7572.51210.78021.394-0.23430.1444-0.25610.15430.1202-0.00690.15220.0872-0.01940.0325-0.0591-0.05460.30760.05510.18462.635835.0373294.5266
155.5515-2.59673.58645.6840.17243.23590.9120.10860.0062-0.64990.23720.2075-0.0317-0.2066-1.1451.4371-0.36040.24420.79080.07110.553922.6941113.6678292.002
162.6901-1.30330.41565.1429-1.5621.90960.11510.49780.1956-0.58130.0252-0.4725-0.53480.9507-0.11230.5367-0.17980.08710.526-0.12810.200320.4143102.0393298.1837
170.52330.81191.43148.1525-1.25065.66140.01950.1628-0.5877-0.58380.465-1.9174-0.14451.8959-0.47530.2836-0.0424-0.01190.546-0.29890.724330.566399.2471307.3528
181.03220.69090.6698.5068-2.45914.0028-0.39780.3237-0.3492-0.55840.4963-1.5301-0.95771.3574-0.02620.4205-0.1504-0.04450.5333-0.15220.438126.5467108.0859307.5327
194.4604-2.2759-0.39916.77991.08393.75190.24950.3911-0.4534-0.4510.24-0.6895-0.04750.4129-0.48030.37260.0123-0.06770.4207-0.22480.341520.656297.5423302.7981
204.84982.2578-5.03095.9253-2.3855.233-0.01160.48070.50780.29430.18580.3641-1.1719-0.7808-0.29170.57830.0743-0.0870.3831-0.03520.304513.979113.4749307.4407
212.83260.0588-2.48982.49060.21874.5289-0.21771.0017-0.0383-1.01780.0273-0.0726-0.9137-0.08120.07090.6857-0.13280.00250.7383-0.11210.234115.865105.3589296.2194
229.4531-3.04441.70542.6912-0.50480.30860.38063.15140.0273-3.0256-0.4809-0.4403-0.0729-0.32140.1322.425-0.54760.20541.76720.00190.724821.9121109.5258282.0476
233.2303-1.4314-3.84456.17945.92277.78290.45920.71060.2815-1.2657-0.48660.0379-0.929-0.05110.00680.7065-0.02420.04180.5701-0.10920.139113.830792.706292.8863
242.5931-0.3974-0.58693.2178-3.08843.81830.44371.1546-0.9663-0.99550.10120.35081.5273-0.4107-0.31781.3118-0.0740.01450.9851-0.52350.828617.177377.1662289.8421
252.5939-2.4827-0.77982.39540.53345.3732-0.27580.2817-0.421-0.6346-0.02970.94410.4386-0.72030.05190.555-0.096-0.19140.3306-0.11290.21070.665377.8338295.9258
267.03961.9442-0.53852.55592.75334.21240.1649-1.344-0.29551.6369-0.6096-0.36460.5508-0.05490.39090.92830.1495-0.03910.61870.07450.22757.45569.8387307.638
270.668-1.0197-0.50211.58280.79350.4055-0.6771-0.2778-1.09041.0183-0.21580.18032.2541-0.80.81441.9054-0.14180.24350.7383-0.26080.88781.742665.7458289.9781
285.145-1.60580.93227.71533.4634.9267-0.1343-0.4648-0.31350.5820.4717-0.46680.2603-0.2497-0.33030.3136-0.0306-0.00720.1783-0.03890.169111.705284.7025301.3109
295.94631.8566-4.9054.6515-0.60458.17040.0813-0.03120.13650.0357-0.00420.3177-0.0473-0.0183-0.03520.2945-0.0065-0.1170.2501-0.02940.1692.876787.3669301.9264
300.7345-0.2978-0.44862.5687-1.14091.5703-0.0598-0.0981-0.48180.20390.02250.32480.4314-0.1438-0.02782.2111-0.3755-0.36640.69490.33821.795233.41850.7731337.739
311.24020.0143-0.5711.6012-0.60542.0235-0.06460.1025-0.46220.1159-0.06950.64130.8543-0.22780.36360.931-0.101-0.34890.1950.05581.161534.491666.5043333.5296
327.01815.2005-1.66444.5614-1.71580.82290.16270.0006-0.64540.18680.19970.45270.5874-0.46420.04231.3658-0.5804-0.75671.13530.57892.206722.315363.2633330.5867
332.61160.7978-0.51063.9880.1795.19340.9144-0.1261-0.3747-0.2540.13171.24820.28320.0557-0.50961.1551-0.2727-0.3990.51520.00371.218532.889467.1695330.9061
341.1267-0.75860.53810.512-0.36380.2570.7233-0.2997-0.39960.67940.11210.93080.318-0.698-0.39791.9885-0.19710.10511.25430.92462.162428.287663.5807347.5604
351.4241.30540.18722.17191.411.93630.30470.145-0.43470.02550.19520.05630.42020.15750.1481.4368-0.1435-0.21250.3706-0.19471.417238.19558.5827331.4085
360.6732-0.28680.10872.548-3.28454.340.15710.40470.8337-0.3611-0.0225-0.1519-0.2455-0.0876-0.17442.53660.3173-0.22310.87650.46982.052941.929746.077336.0154
374.0059-0.9713-0.95139.08321.07521.8939-0.1835-0.0345-0.79190.4272-0.2081-0.30150.910.14470.20120.93390.2019-0.29160.2927-0.13360.755145.602366.1384332.9164
385.3185-4.3656-1.17144.01592.00832.78890.9592.59341.7387-0.5368-0.8311-1.1046-1.2116-0.5342-0.07271.84530.37380.11070.97680.13171.084954.202470.2407319.5538
392.5275-0.0139-1.0434.4161-0.17774.36520.24240.3185-0.4011-0.0681-0.1753-1.59110.2941.57840.01430.26830.07720.00710.5274-0.03750.730957.4182.1105333.0541
405.47252.5972-4.56968.9801-1.50364.03970.72731.34041.4454-1.08450.15640.2807-1.1777-0.7024-0.92480.78350.03220.04350.760.1630.549450.083291.3829322.6581
413.1602-0.5615-0.84230.11320.28281.5410.54390.57420.1659-0.7928-0.48510.0575-0.94050.0791-0.0721.54970.7468-0.11521.6345-0.39090.92167.543883.6364324.2982
421.18260.455-0.23391.19561.28171.898-0.06330.2263-0.2994-0.49410.0141-0.11940.24530.0416-0.27460.51040.0953-0.05740.0424-0.14150.348844.783677.1675329.3548
433.5576-1.3198-0.19677.18490.27950.54310.16530.1219-0.10360.3517-0.04780.12280.20970.1982-0.12290.3961-0.0094-0.0850.0944-0.02310.195545.553183.8946339.8675
445.78390.3294-4.64635.91751.22626.1176-0.15260.8568-0.9338-1.25720.0598-1.10441.10520.02120.14620.81730.2067-0.08810.4861-0.3480.7852.604867.2081330.0331
450.67080.12510.13470.7708-0.62171.0442-0.0243-0.11880.1838-0.29480.5367-0.1258-0.1354-0.569-0.46672.3559-0.3881.04272.17830.03071.5267-27.759161.2704342.3755
461.0291-0.2834-0.73080.08180.24860.9081-0.1133-0.2955-0.3020.665-0.01410.57330.6072-0.6706-0.05981.5916-0.35760.58481.2152-0.00410.6768-17.104862.2354335.0724
476.33440.54992.70952.69232.42844.3316-0.0165-0.8453-1.12262.0412-0.25410.75813.4553-0.5690.39122.4292-0.33360.76531.0104-0.23591.0977-14.6752.2971325.7131
485.45720.74471.43583.03081.90031.368-0.1853-0.2151-1.28561.1902-0.21560.65350.9747-0.62050.68361.6541-0.60150.9331.1081-0.56911.7562-23.543455.9962326.179
493.1619-0.9322-0.65151.2222-0.65712.5114-0.0909-0.74570.06061.2214-0.43090.88470.3543-0.61610.26571.7774-0.20130.75220.9765-0.42351.2155-21.397666.3517331.2387
507.99851.2195-7.04292.3047-1.75516.43060.3117-1.074-0.6320.834-0.61550.39090.084-0.60050.28262.7568-0.07750.72671.64490.20341.2388-22.271459.9974348.5929
513.75790.8032-1.67640.9128-0.88537.04680.1829-0.49820.20760.41620.05620.2385-0.167-0.4296-0.17361.6095-0.02830.46820.94020.04110.5193-8.140569.5754339.4209
521.3646-0.0542-0.95910.00150.03850.674-0.40960.5346-0.1367-0.28720.4342-0.1626-0.32081.0092-0.00362.17740.0808-0.03252.11370.08170.50397.576966.3616341.9438
531.6605-0.1726-0.41781.59660.16763.0673-0.1539-0.63560.30710.9636-0.0772-0.2622-0.41420.6527-0.13191.3031-0.0371-0.1310.9879-0.14760.18587.156481.9268333.4544
540.42470.1303-0.12831.2232-0.20353.6213-0.2197-0.3406-0.11460.9370.15150.04670.3812-0.0819-0.21861.29260.02810.15610.7374-0.08210.19390.063478.0645331.5885
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'B' and (resid 87 through 105 )
2X-RAY DIFFRACTION2chain 'B' and (resid 106 through 123 )
3X-RAY DIFFRACTION3chain 'B' and (resid 124 through 174 )
4X-RAY DIFFRACTION4chain 'B' and (resid 175 through 199 )
5X-RAY DIFFRACTION5chain 'B' and (resid 200 through 213 )
6X-RAY DIFFRACTION6chain 'B' and (resid 214 through 241 )
7X-RAY DIFFRACTION7chain 'A' and (resid 195 through 214 )
8X-RAY DIFFRACTION8chain 'A' and (resid 215 through 225 )
9X-RAY DIFFRACTION9chain 'A' and (resid 226 through 263 )
10X-RAY DIFFRACTION10chain 'A' and (resid 264 through 273 )
11X-RAY DIFFRACTION11chain 'A' and (resid 274 through 292 )
12X-RAY DIFFRACTION12chain 'A' and (resid 293 through 332 )
13X-RAY DIFFRACTION13chain 'A' and (resid 333 through 348 )
14X-RAY DIFFRACTION14chain 'A' and (resid 349 through 378 )
15X-RAY DIFFRACTION15chain 'D' and (resid 87 through 97 )
16X-RAY DIFFRACTION16chain 'D' and (resid 98 through 123 )
17X-RAY DIFFRACTION17chain 'D' and (resid 124 through 139 )
18X-RAY DIFFRACTION18chain 'D' and (resid 140 through 164 )
19X-RAY DIFFRACTION19chain 'D' and (resid 165 through 182 )
20X-RAY DIFFRACTION20chain 'D' and (resid 183 through 199 )
21X-RAY DIFFRACTION21chain 'D' and (resid 200 through 230 )
22X-RAY DIFFRACTION22chain 'D' and (resid 231 through 238 )
23X-RAY DIFFRACTION23chain 'C' and (resid 197 through 214 )
24X-RAY DIFFRACTION24chain 'C' and (resid 215 through 225 )
25X-RAY DIFFRACTION25chain 'C' and (resid 226 through 282 )
26X-RAY DIFFRACTION26chain 'C' and (resid 283 through 292 )
27X-RAY DIFFRACTION27chain 'C' and (resid 293 through 332 )
28X-RAY DIFFRACTION28chain 'C' and (resid 333 through 348 )
29X-RAY DIFFRACTION29chain 'C' and (resid 349 through 378 )
30X-RAY DIFFRACTION30chain 'F' and (resid 89 through 105 )
31X-RAY DIFFRACTION31chain 'F' and (resid 106 through 123 )
32X-RAY DIFFRACTION32chain 'F' and (resid 124 through 164 )
33X-RAY DIFFRACTION33chain 'F' and (resid 165 through 182 )
34X-RAY DIFFRACTION34chain 'F' and (resid 183 through 213 )
35X-RAY DIFFRACTION35chain 'F' and (resid 214 through 230 )
36X-RAY DIFFRACTION36chain 'F' and (resid 231 through 237 )
37X-RAY DIFFRACTION37chain 'E' and (resid 197 through 214 )
38X-RAY DIFFRACTION38chain 'E' and (resid 215 through 225 )
39X-RAY DIFFRACTION39chain 'E' and (resid 226 through 282 )
40X-RAY DIFFRACTION40chain 'E' and (resid 283 through 292 )
41X-RAY DIFFRACTION41chain 'E' and (resid 293 through 332 )
42X-RAY DIFFRACTION42chain 'E' and (resid 333 through 348 )
43X-RAY DIFFRACTION43chain 'E' and (resid 349 through 371 )
44X-RAY DIFFRACTION44chain 'E' and (resid 372 through 378 )
45X-RAY DIFFRACTION45chain 'H' and (resid 88 through 97 )
46X-RAY DIFFRACTION46chain 'H' and (resid 98 through 123 )
47X-RAY DIFFRACTION47chain 'H' and (resid 124 through 139 )
48X-RAY DIFFRACTION48chain 'H' and (resid 140 through 164 )
49X-RAY DIFFRACTION49chain 'H' and (resid 165 through 225 )
50X-RAY DIFFRACTION50chain 'H' and (resid 226 through 241 )
51X-RAY DIFFRACTION51chain 'G' and (resid 197 through 214 )
52X-RAY DIFFRACTION52chain 'G' and (resid 215 through 225 )
53X-RAY DIFFRACTION53chain 'G' and (resid 226 through 292 )
54X-RAY DIFFRACTION54chain 'G' and (resid 293 through 378 )

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