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- PDB-6veq: Con-Ins G1 in complex with the human insulin microreceptor in tur... -

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Basic information

Entry
Database: PDB / ID: 6veq
TitleCon-Ins G1 in complex with the human insulin microreceptor in turn in complex with Fv 83-7
Components
  • Con-Ins G1 B chain
  • Con-Ins G1a A chain
  • Fv 83-7 heavy chain
  • Fv 83-7 light chain
  • Insulin receptor
  • Insulin receptor subunit alpha
KeywordsTOXIN
Function / homology
Function and homology information


regulation of female gonad development / positive regulation of meiotic cell cycle / insulin-like growth factor II binding / positive regulation of developmental growth / male sex determination / insulin receptor complex / insulin-like growth factor I binding / positive regulation of protein-containing complex disassembly / insulin receptor activity / exocrine pancreas development ...regulation of female gonad development / positive regulation of meiotic cell cycle / insulin-like growth factor II binding / positive regulation of developmental growth / male sex determination / insulin receptor complex / insulin-like growth factor I binding / positive regulation of protein-containing complex disassembly / insulin receptor activity / exocrine pancreas development / dendritic spine maintenance / cargo receptor activity / insulin binding / adrenal gland development / PTB domain binding / neuronal cell body membrane / Signaling by Insulin receptor / IRS activation / positive regulation of respiratory burst / amyloid-beta clearance / regulation of embryonic development / insulin receptor substrate binding / positive regulation of receptor internalization / epidermis development / protein kinase activator activity / positive regulation of glycogen biosynthetic process / Signal attenuation / heart morphogenesis / transport across blood-brain barrier / phosphatidylinositol 3-kinase binding / Insulin receptor recycling / insulin-like growth factor receptor binding / dendrite membrane / neuron projection maintenance / positive regulation of mitotic nuclear division / receptor-mediated endocytosis / Insulin receptor signalling cascade / positive regulation of glycolytic process / positive regulation of D-glucose import across plasma membrane / learning / receptor protein-tyrosine kinase / hormone activity / caveola / receptor internalization / cellular response to growth factor stimulus / memory / male gonad development / cellular response to insulin stimulus / glucose metabolic process / positive regulation of nitric oxide biosynthetic process / insulin receptor signaling pathway / late endosome / glucose homeostasis / amyloid-beta binding / protein autophosphorylation / toxin activity / PI5P, PP2A and IER3 Regulate PI3K/AKT Signaling / protein tyrosine kinase activity / lysosome / positive regulation of canonical NF-kappaB signal transduction / positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / receptor complex / positive regulation of MAPK cascade / endosome membrane / positive regulation of cell migration / G protein-coupled receptor signaling pathway / protein domain specific binding / axon / external side of plasma membrane / positive regulation of cell population proliferation / regulation of DNA-templated transcription / symbiont entry into host cell / positive regulation of DNA-templated transcription / GTP binding / protein-containing complex binding / extracellular exosome / extracellular region / ATP binding / identical protein binding / membrane / plasma membrane
Similarity search - Function
Hormone Receptor, Insulin-like Growth Factor Receptor 1; Chain A domain 2 / Hormone Receptor, Insulin-like Growth Factor Receptor 1; Chain A, domain 2 / 24 nucleotide stem-loop, u2 snrnp hairpin iv. U2 a'; Chain A / Receptor L-domain / Insulin receptor, trans-membrane domain / Insulin receptor trans-membrane segment / Tyrosine-protein kinase, insulin-like receptor / Tyrosine-protein kinase, receptor class II, conserved site / Receptor tyrosine kinase class II signature. / Alpha-Beta Horseshoe ...Hormone Receptor, Insulin-like Growth Factor Receptor 1; Chain A domain 2 / Hormone Receptor, Insulin-like Growth Factor Receptor 1; Chain A, domain 2 / 24 nucleotide stem-loop, u2 snrnp hairpin iv. U2 a'; Chain A / Receptor L-domain / Insulin receptor, trans-membrane domain / Insulin receptor trans-membrane segment / Tyrosine-protein kinase, insulin-like receptor / Tyrosine-protein kinase, receptor class II, conserved site / Receptor tyrosine kinase class II signature. / Alpha-Beta Horseshoe / Insulin family / Insulin-like / Insulin/IGF/Relaxin family / Insulin / insulin-like growth factor / relaxin family. / Insulin, conserved site / Insulin family signature. / Insulin-like superfamily / Receptor L-domain / Furin-like cysteine-rich domain / Receptor L-domain superfamily / Furin-like cysteine rich region / Receptor L domain / Furin-like repeat / Furin-like repeats / Fibronectin type III domain / Growth factor receptor cysteine-rich domain superfamily / : / Fibronectin type 3 domain / Fibronectin type-III domain profile. / Fibronectin type III / Fibronectin type III superfamily / Ribbon / Tyrosine-protein kinase, catalytic domain / Tyrosine kinase, catalytic domain / Tyrosine protein kinases specific active-site signature. / Tyrosine-protein kinase, active site / Serine-threonine/tyrosine-protein kinase, catalytic domain / Protein tyrosine and serine/threonine kinase / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Immunoglobulin-like fold / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily / Mainly Beta / Alpha Beta
Similarity search - Domain/homology
Con-Ins G1b / Con-Ins G1a / Insulin receptor
Similarity search - Component
Biological speciesHomo sapiens (human)
Mus musculus (house mouse)
Conus geographus (geography cone)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.25 Å
AuthorsMenting, J.G. / Chou, D.H.-C. / Lawrence, M.C. / Xiong, X.
Funding support Australia, United States, 2items
OrganizationGrant numberCountry
National Health and Medical Research Council (NHMRC, Australia)APP1143546 Australia
Other private5-CDA-2018-572-A-N United States
CitationJournal: Nat.Struct.Mol.Biol. / Year: 2020
Title: A structurally minimized yet fully active insulin based on cone-snail venom insulin principles.
Authors: Xiong, X. / Menting, J.G. / Disotuar, M.M. / Smith, N.A. / Delaine, C.A. / Ghabash, G. / Agrawal, R. / Wang, X. / He, X. / Fisher, S.J. / MacRaild, C.A. / Norton, R.S. / Gajewiak, J. / ...Authors: Xiong, X. / Menting, J.G. / Disotuar, M.M. / Smith, N.A. / Delaine, C.A. / Ghabash, G. / Agrawal, R. / Wang, X. / He, X. / Fisher, S.J. / MacRaild, C.A. / Norton, R.S. / Gajewiak, J. / Forbes, B.E. / Smith, B.J. / Safavi-Hemami, H. / Olivera, B. / Lawrence, M.C. / Chou, D.H.
History
DepositionJan 2, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 3, 2020Provider: repository / Type: Initial release
Revision 1.1Jun 17, 2020Group: Database references / Category: citation / citation_author / Item: _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2Jul 22, 2020Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
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 / _pdbx_struct_assembly_gen.asym_id_list / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Oct 11, 2023Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 2.2Nov 15, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond / Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Con-Ins G1a A chain
B: Con-Ins G1 B chain
E: Insulin receptor subunit alpha
F: Insulin receptor
C: Fv 83-7 heavy chain
D: Fv 83-7 light chain
K: Insulin receptor subunit alpha
L: Insulin receptor
I: Fv 83-7 heavy chain
J: Fv 83-7 light chain
H: Con-Ins G1 B chain
G: Con-Ins G1a A chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)148,15726
Polymers143,48312
Non-polymers4,67414
Water00
1
A: Con-Ins G1a A chain
B: Con-Ins G1 B chain
E: Insulin receptor subunit alpha
F: Insulin receptor
C: Fv 83-7 heavy chain
D: Fv 83-7 light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)74,17514
Polymers71,7416
Non-polymers2,4338
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
K: Insulin receptor subunit alpha
L: Insulin receptor
I: Fv 83-7 heavy chain
J: Fv 83-7 light chain
H: Con-Ins G1 B chain
G: Con-Ins G1a A chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)73,98212
Polymers71,7416
Non-polymers2,2416
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)106.160, 227.120, 228.700
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number23
Space group name H-MI222

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Components

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Protein/peptide , 3 types, 6 molecules AGBHFL

#1: Protein/peptide Con-Ins G1a A chain


Mass: 2358.720 Da / Num. of mol.: 2 / Fragment: residues 95-114 / Source method: obtained synthetically / Source: (synth.) Conus geographus (geography cone) / References: UniProt: A0A0B5AC95
#2: Protein/peptide Con-Ins G1 B chain


Mass: 2802.083 Da / Num. of mol.: 2 / Fragment: residues 30-52 / Source method: obtained synthetically / Source: (synth.) Conus geographus (geography cone) / References: UniProt: A0A0B5A8Q2
#4: Protein/peptide Insulin receptor / IR


Mass: 1922.143 Da / Num. of mol.: 2 / Fragment: residues 731-746 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human)
References: UniProt: P06213, receptor protein-tyrosine kinase

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Antibody , 2 types, 4 molecules CIDJ

#5: Antibody Fv 83-7 heavy chain


Mass: 15058.748 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Production host: Brevibacillus brevis (bacteria)
#6: Antibody Fv 83-7 light chain


Mass: 13367.913 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Production host: Brevibacillus brevis (bacteria)

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Protein / Non-polymers , 2 types, 6 molecules EK

#10: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Formula: SO4
#3: Protein Insulin receptor subunit alpha / IR


Mass: 36231.762 Da / Num. of mol.: 2 / Fragment: residues 28-337
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: INSR / Plasmid: pEE14 / Organ (production host): ovary / Production host: Cricetulus griseus (Chinese hamster) / Variant (production host): LEC 8 MUTANT
References: UniProt: P06213, receptor protein-tyrosine kinase

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Sugars , 3 types, 10 molecules

#7: Polysaccharide alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1- ...alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 748.682 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-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_c3-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#8: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 732.682 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1221m-1a_1-5]/1-1-2-3/a4-b1_a6-d1_b4-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}[(6+1)][a-L-Fucp]{}}}LINUCSPDB-CARE
#9: Sugar
ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 6
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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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: 4.81 Å3/Da / Density % sol: 74.45 %
Crystal growTemperature: 300 K / Method: vapor diffusion, hanging drop / Details: 1.7 M ammonium sulphate 50 mM MOPS-NaOH (pH 7.0)

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.953646 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Mar 22, 2017
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.953646 Å / Relative weight: 1
ReflectionResolution: 3.25→50 Å / Num. obs: 43876 / % possible obs: 99.8 % / Redundancy: 5.8 % / CC1/2: 0.992 / Rmerge(I) obs: 0.259 / Net I/σ(I): 6.44
Reflection shellResolution: 3.25→3.35 Å / Redundancy: 6 % / Rmerge(I) obs: 2.748 / Mean I/σ(I) obs: 0.59 / Num. unique obs: 3751 / CC1/2: 0.163 / % possible all: 99.9

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Processing

Software
NameVersionClassification
PHENIX(1.13-2998_1692)refinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4OGA

4oga


Resolution: 3.25→48.146 Å / SU ML: 0.53 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 29.98
RfactorNum. reflection% reflection
Rfree0.277 1743 3.98 %
Rwork0.2279 --
obs0.2299 43845 99.82 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Refinement stepCycle: LAST / Resolution: 3.25→48.146 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8965 0 302 0 9267
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0029531
X-RAY DIFFRACTIONf_angle_d0.50412971
X-RAY DIFFRACTIONf_dihedral_angle_d8.9825732
X-RAY DIFFRACTIONf_chiral_restr0.0421462
X-RAY DIFFRACTIONf_plane_restr0.0031624
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.25-3.34560.39371450.37413447X-RAY DIFFRACTION99
3.3456-3.45360.39471430.35893473X-RAY DIFFRACTION100
3.4536-3.5770.35181430.33423465X-RAY DIFFRACTION100
3.577-3.72010.35831440.28833466X-RAY DIFFRACTION100
3.7201-3.88940.2841430.25893481X-RAY DIFFRACTION100
3.8894-4.09430.27841450.24033500X-RAY DIFFRACTION100
4.0943-4.35070.27851450.20733493X-RAY DIFFRACTION100
4.3507-4.68640.20181440.16963476X-RAY DIFFRACTION100
4.6864-5.15750.20381430.17173523X-RAY DIFFRACTION100
5.1575-5.90260.23161480.18943530X-RAY DIFFRACTION100
5.9026-7.43230.26051430.2393570X-RAY DIFFRACTION100
7.4323-48.1460.31081570.21943678X-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)
16.9944-1.05794.79462.7322-2.70646.3605-1.8601-2.9062-0.4058-1.41490.88941.79080.9621-1.36881.04381.08160.101-0.35251.0590.36392.3648-46.0967-87.5529-51.8778
25.8474.6476-2.79414.7895-3.54433.54970.7043-1.4983-0.3147-0.784-1.211.7135-0.42292.08160.06572.1639-0.0267-0.85321.889-0.12162.5919-46.8459-88.0102-57.5356
34.90182.4696-1.77257.34961.9795.2747-0.0829-0.17170.50862.0208-2.3640.14980.86441.32791.73422.3104-0.24530.12380.93670.50991.7559-38.826-80.8555-55.0073
44.97951.8543-4.05332.45411.19788.43052.57571.3466-0.5537-2.4091-1.04331.1198-1.28280.6635-0.65481.9311-0.3635-0.25231.27950.36511.6353-41.2372-91.4228-59.8543
59.09442.96841.46792.1024-0.95066.7794-0.3334-0.06561.6298-1.6693-0.07761.51152.12831.07430.34361.7767-0.2288-0.09511.17040.1571.381-32.8891-89.2858-55.858
60.99570.6438-0.77644.4824-2.26663.5988-0.07890.4171.0865-0.2170.0082-0.1202-0.58710.23410.04931.0723-0.17660.14771.01380.06311.1169-25.1565-92.8937-36.328
74.0351-2.21480.44384.7232-1.76613.44-0.31870.5396-0.4019-0.5316-0.00480.19680.3859-0.12730.32451.0787-0.09030.18361.0315-0.07340.8954-29.3738-109.1532-36.0391
80.0413-2.2543-1.95170.42641.99714.0142-0.29080.1170.26550.23310.2439-0.37340.5370.19450.08420.9114-0.0604-0.01050.9348-0.02691.0152-27.5463-101.6927-16.9394
93.8374-1.2529-1.72972.88260.73781.98390.06230.0521-0.6332-0.7566-0.0914-0.2350.5887-0.0024-0.05141.3214-0.0024-0.1691.0492-0.03971.4957-46.7608-76.544-16.9613
106.79770.327-1.05274.55191.2868.8645-2.10310.68350.1908-1.94520.33481.9548-1.0742-2.19551.65941.6435-0.00290.02551.2886-0.08141.0793-40.6514-93.6115-45.236
111.98350.32277.8671.31151.95838.2312-0.9733-0.57672.4452-0.73830.3922-0.0642-2.2233-1.0988-0.49492.6633-0.18880.47441.06720.34761.5861-36.7004-81.9756-42.6997
123.7810.0454-1.96624.77781.06535.3116-0.241-0.07130.43670.80360.3025-0.97210.95210.6801-0.01970.9074-0.1031-0.20851.1087-0.11131.1872-19.1422-85.932111.1857
133.15351.7979-1.65294.7621-0.95362.19530.0571-0.04850.69080.0012-0.0683-0.5432-0.67720.3752-0.07640.9527-0.1124-0.05280.9235-0.22281.1372-28.19-81.55049.2777
141.68361.65153.36482.14820.46365.26910.3321-0.17480.01240.52960.0541-0.72730.33720.2402-0.42020.8497-0.0297-0.14220.9908-0.15121.1141-25.6801-85.601714.1428
153.2964-1.72262.79642.8999-3.2964.54050.1974-2.013-1.58850.19322.26790.33050.72740.58463.35280.96820.2326-0.61691.0353-0.3111-1.1849-45.6149-87.226813.1571
165.2259-3.79522.48094.414-4.70016.2103-0.7472-0.8364-1.4138-1.14081.3762.35150.3378-1.6394-0.4470.9911-0.16030.05460.97030.15091.05-45.6678-106.21423.7152
174.23936.08230.01212.0144-2.83955.2687-0.5960.001-0.33861.7431.4175-0.7589-1.5106-3.6609-0.7080.90850.2083-0.07721.14650.05980.5706-48.0397-96.930914.5615
185.25680.4886-1.00650.845-2.63778.43110.5609-0.14440.7659-0.6880.52610.47321.1490.1978-0.96761.0785-0.0889-0.25251.014-0.11261.0438-45.9991-90.8287-1.6503
195.93182.7549-0.88046.89992.90092.273-0.919-1.2788-0.69910.03970.5692-1.49460.1022-1.0231-0.01561.0529-0.0977-0.25220.91160.08740.3089-36.6253-98.155813.1367
205.02190.61483.30844.33740.18526.0754-0.2941-0.2444-0.789-0.46691.1721-0.3681-0.30831.0712-0.36230.8407-0.0843-0.0280.7685-0.01620.8543-31.4817-100.171314.3085
216.2784-2.40351.71298.1026-6.21045.01580.59130.04780.1524-1.2679-0.55631.07312.51240.6233-0.06351.0020.0431-0.12670.8563-0.29821.2893-37.9098-104.78215.0553
226.2839-2.85870.66346.0854-0.5695.0323-0.08941.66130.50871.9097-1.16170.904-0.50170.31340.94471.0333-0.0574-0.26251.0155-0.08790.833-47.2618-100.39439.375
231.72651.365-0.17482.4267-2.73467.5483-0.1669-1.334-2.76320.80520.4249-2.140.37622.0979-0.12330.81220.2827-0.17631.1744-0.061.394-38.1571-110.40319.655
246.5137-0.1262-0.62677.4612-1.39151.7914-0.5015-1.3180.18040.19240.29230.2684-1.1501-1.92760.77960.73950.0102-0.26120.8926-0.24060.7188-38.7343-95.001414.5807
257.691-2.11170.15194.5743.40264.84810.48530.1257-0.3679-1.1795-0.27640.3874-2.67330.8878-0.33941.1568-0.0944-0.01540.8936-0.20910.9862-38.9751-86.7657.2038
261.58992.0696-4.10815.309-4.9662.00140.7320.7962-0.4627-1.3553-0.3714-0.7305-1.8157-0.3939-1.18241.0128-0.11520.03880.9992-0.19460.7778-40.7015-105.2427.5555
272.9568-2.5527-1.13434.35450.52692.29930.5129-0.8363-1.3455-0.5801-0.31280.67840.241-0.03610.04010.9581-0.3601-0.17051.31520.03761.4352-80.8946-96.3215-64.0976
283.0281-1.8555-0.32581.17950.93760.42120.1330.54990.1111-0.19740.28090.10340.9906-0.3713-0.45161.5561-0.2692-0.12251.26020.27331.123-75.8215-95.9125-71.6287
290.86811.1075-1.25237.2928-2.14066.1224-0.0227-0.1755-1.0403-0.5006-0.42460.04370.7939-0.03560.36140.97430.00810.02671.1940.08041.4679-65.3376-89.6078-66.0402
302.6921-0.66150.96282.092-0.76242.21930.0514-0.5092-0.7296-0.7910.0692-0.56050.86920.2174-0.07311.1736-0.00190.33421.29320.3531.5895-57.6043-81.4731-73.7454
312.8357-1.4924-0.95675.59213.10171.88550.23920.14820.3201-1.03390.16480.1825-0.9678-0.1202-0.44311.1351-0.0391-0.15421.22510.38971.6709-76.9182-69.8319-61.7909
321.5183-0.07640.3450.11150.52032.84050.0404-0.01030.43440.09380.052-0.24220.3365-0.1948-0.07430.9845-0.1052-0.2931.11670.3451.1068-85.9364-84.2786-45.0019
332.61920.02973.54112.4217-2.10526.9214-0.1676-0.5622-0.192-0.02911.46751.04050.1046-2.2918-1.2611.0815-0.095-0.22781.22750.37781.52-84.1502-91.3853-30.3433
341.7768-0.87441.55542.3342.37718.56981.3356-1.18270.52550.0663-0.8824-1.42641.1813-1.1927-0.43592.02050.08030.2211.43740.2981.1915-64.0148-104.6586-56.4014
352.05250.2322-1.6177.5955-0.73172.34160.59552.21711.09820.7230.69320.50320.5075-0.9934-1.03141.32380.2062-0.1761.31260.2280.9981-96.1184-55.0257-58.2542
362.3278-1.1332-2.13319.07652.00622.0438-1.8143-0.191-0.2752-1.15210.85522.3555-1.42354.61410.96850.7526-0.00930.07142.09170.79591.5732-115.7347-52.2938-45.7769
376.2042-3.22412.13431.83620.14655.232-0.06570.07530.6327-0.2113-0.1361-0.2851-1.40340.80360.48420.7846-0.0857-0.20270.72460.35391.2155-98.7305-59.0776-48.1271
382.5163.10630.65813.4481.89454.31780.35760.67660.21330.16680.68430.3807-0.4933-0.597-0.94311.11390.0187-0.12821.26180.28841.2215-102.8913-67.5355-44.452
396.7797-1.6206-1.84773.45261.36792.632-0.1704-0.04621.09370.067-0.1020.4662-0.1536-0.65690.21851.1250.1054-0.26621.26240.26861.3197-104.7117-58.0316-47.7347
401.37351.02340.7767.3336-0.56710.7675-0.48181.22160.8826-0.12230.0211-3.5585-1.6081-0.12350.47321.14810.0191-0.1251.05530.36341.1846-89.7552-59.4046-50.1868
415.8749-0.98074.26431.8045-0.93853.569-0.53461.361-0.38781.83540.6879-1.57160.4152.27180.33191.05580.152-0.17041.4552-0.03711.7543-109.8213-48.2272-44.7602
428.43026.4210.95452.00811.6876.90161.4963-0.80961.75630.3734-2.1279-2.5091-1.93051.25060.61481.28560.2161-0.17110.75590.04211.2106-89.3958-56.5759-29.9454
434.4279-3.18231.05113.6131.27253.35020.614-0.56711.46021.2159-0.6201-2.3179-0.74120.39750.08121.3981-0.3008-0.39061.16180.15221.841-79.5925-45.4556-32.4566
446.96329.1102-1.80921.9729-2.622.04520.4436-0.9005-2.9321-0.9702-0.3262-2.80990.35080.4561-0.31531.14360.0325-0.87161.45250.26221.1064-80.9182-69.7277-36.5838
451.1692-1.1475-0.92022.65630.23692.2624-0.1206-0.07230.05691.2332-0.1594-0.6958-0.2426-0.44340.42980.7861-0.0597-0.2690.9530.4381.4171-85.8956-51.5497-44.264
465.9083-3.6629-6.47119.30822.47737.64360.92610.26911.5311-0.81380.6985-1.21870.0638-0.0388-1.09331.1247-0.12-0.531.58680.48321.6282-76.1573-55.0022-45.9156
472.307-4.75290.89332.0368-0.18575.7743-0.6965-0.77652.14191.30821.94290.68820.6499-0.6327-1.10111.1645-0.1197-0.89421.30640.13852.4199-77.2316-55.6709-34.7549
483.20025.12811.04878.73232.53483.71790.54870.74142.84460.6743-1.65480.2997-1.1361-0.4629-1.18861.06330.2204-0.40490.84390.82422.0477-82.8648-46.8567-40.3284
493.1871-1.494-0.70834.9938-0.5732.88390.1570.0891-1.39561.51810.3433-1.00490.56890.7016-0.55261.0193-0.189-0.33810.87460.22751.6961-91.0662-63.3499-38.081
503.19193.1201-1.05335.89643.55527.7233-0.56051.7713-1.82132.5574-2.3051-2.52231.1105-1.91331.8631.24170.0739-0.2421.24010.2391.7929-85.4859-40.6826-35.3172
511.4219-2.1677-1.69823.50023.33464.3715-0.59890.12630.43950.93632.24893.07630.9467-1.2306-1.4961.09550.1544-0.27821.321-0.15113.0789-56.5488-116.2927-60.5281
522.5312-0.9856-5.09680.42772.04992.0221-2.02080.0798-0.3735-0.5751-0.1188-4.55233.2968-1.1620.41772.1710.33740.65180.70340.30792.2303-63.8401-113.7094-65.9898
531.98072.2783-6.17921.8028-3.0865.87420.65690.2617-4.53560.54520.0777-2.73010.3988-1.1643-1.34071.7358-0.1432-0.45821.09670.87112.7103-60.8709-113.3754-52.7111
542.01171.9444-3.15386.13162.53236.4796-4.0663-1.8476-0.730.8411.79864.19561.5549-0.47092.14571.54280.08660.18791.14290.44182.8043-64.5377-118.7465-56.6301
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 1:6 )A1 - 6
2X-RAY DIFFRACTION2( CHAIN A AND RESID 7:12 )A7 - 12
3X-RAY DIFFRACTION3( CHAIN A AND ( RESID 13:19 OR RESID 20:20 ) )A13 - 19
4X-RAY DIFFRACTION3( CHAIN A AND ( RESID 13:19 OR RESID 20:20 ) )A20
5X-RAY DIFFRACTION4( CHAIN B AND RESID 4:8 )B4 - 8
6X-RAY DIFFRACTION5( CHAIN B AND RESID 9:19 )B9 - 19
7X-RAY DIFFRACTION6( CHAIN E AND RESID 5:106 )E5 - 106
8X-RAY DIFFRACTION7( CHAIN E AND RESID 107:170 )E107 - 170
9X-RAY DIFFRACTION8( CHAIN E AND RESID 171:255 )E171 - 255
10X-RAY DIFFRACTION9( CHAIN E AND RESID 256:309 )E256 - 309
11X-RAY DIFFRACTION10( CHAIN F AND RESID 705:713 )F705 - 713
12X-RAY DIFFRACTION11( CHAIN F AND RESID 714:719 )F714 - 719
13X-RAY DIFFRACTION12( CHAIN C AND RESID 1:32 )C1 - 32
14X-RAY DIFFRACTION13( CHAIN C AND RESID 33:76 )C33 - 76
15X-RAY DIFFRACTION14( CHAIN C AND RESID 77:118 )C77 - 118
16X-RAY DIFFRACTION15( CHAIN D AND RESID 1:7 )D1 - 7
17X-RAY DIFFRACTION16( CHAIN D AND RESID 8:18 )D8 - 18
18X-RAY DIFFRACTION17( CHAIN D AND RESID 19:25 )D19 - 25
19X-RAY DIFFRACTION18( CHAIN D AND RESID 26:38 )D26 - 38
20X-RAY DIFFRACTION19( CHAIN D AND RESID 39:45 )D39 - 45
21X-RAY DIFFRACTION20( CHAIN D AND RESID 46:54 )D46 - 54
22X-RAY DIFFRACTION21( CHAIN D AND RESID 55:67 )D55 - 67
23X-RAY DIFFRACTION22( CHAIN D AND RESID 68:81 )D68 - 81
24X-RAY DIFFRACTION23( CHAIN D AND RESID 82:89 )D82 - 89
25X-RAY DIFFRACTION24( CHAIN D AND RESID 90:96 )D90 - 96
26X-RAY DIFFRACTION25( CHAIN D AND RESID 97:106 )D97 - 106
27X-RAY DIFFRACTION26( CHAIN D AND RESID 107:114 )D107 - 114
28X-RAY DIFFRACTION27( CHAIN K AND RESID 5:36 )K5 - 36
29X-RAY DIFFRACTION28( CHAIN K AND RESID 37:60 )K37 - 60
30X-RAY DIFFRACTION29( CHAIN K AND RESID 61:143 )K61 - 143
31X-RAY DIFFRACTION30( CHAIN K AND RESID 144:193 )K144 - 193
32X-RAY DIFFRACTION31( CHAIN K AND RESID 194:233 )K194 - 233
33X-RAY DIFFRACTION32( CHAIN K AND RESID 234:291 )K234 - 291
34X-RAY DIFFRACTION33( CHAIN K AND RESID 292:309 )K292 - 309
35X-RAY DIFFRACTION34( CHAIN L AND RESID 705:715 )L705 - 715
36X-RAY DIFFRACTION35( CHAIN I AND RESID 1:7 )I1 - 7
37X-RAY DIFFRACTION36( CHAIN I AND RESID 8:17 )I8 - 17
38X-RAY DIFFRACTION37( CHAIN I AND RESID 18:51 )I18 - 51
39X-RAY DIFFRACTION38( CHAIN I AND RESID 52:72 )I52 - 72
40X-RAY DIFFRACTION39( CHAIN I AND RESID 73:98 )I73 - 98
41X-RAY DIFFRACTION40( CHAIN I AND RESID 99:111 )I99 - 111
42X-RAY DIFFRACTION41( CHAIN I AND RESID 112:117 )I112 - 117
43X-RAY DIFFRACTION42( CHAIN J AND RESID 1:9 )J1 - 9
44X-RAY DIFFRACTION43( CHAIN J AND RESID 10:25 )J10 - 25
45X-RAY DIFFRACTION44( CHAIN J AND RESID 26:38 )J26 - 38
46X-RAY DIFFRACTION45( CHAIN J AND RESID 39:55 )J39 - 55
47X-RAY DIFFRACTION46( CHAIN J AND RESID 56:67 )J56 - 67
48X-RAY DIFFRACTION47( CHAIN J AND RESID 68:81 )J68 - 81
49X-RAY DIFFRACTION48( CHAIN J AND RESID 82:96 )J82 - 96
50X-RAY DIFFRACTION49( CHAIN J AND RESID 97:106 )J97 - 106
51X-RAY DIFFRACTION50( CHAIN J AND RESID 107:111 )J107 - 111
52X-RAY DIFFRACTION51( CHAIN H AND RESID 4:8 )H4 - 8
53X-RAY DIFFRACTION52( CHAIN H AND RESID 9:19 )H9 - 19
54X-RAY DIFFRACTION53( CHAIN G AND RESID 1:7 )G1 - 7
55X-RAY DIFFRACTION54( CHAIN G AND ( RESID 8:19 OR RESID 20:20 ) )G8 - 19
56X-RAY DIFFRACTION54( CHAIN G AND ( RESID 8:19 OR RESID 20:20 ) )G20

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