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- PDB-3tl5: Discovery of GDC-0980: a Potent, Selective, and Orally Available ... -

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Basic information

Entry
Database: PDB / ID: 3tl5
TitleDiscovery of GDC-0980: a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor for the Treatment of Cancer
ComponentsPhosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / TRANSFERASE-TRANSFERASE INHIBITOR complex
Function / homology
Function and homology information


negative regulation of triglyceride catabolic process / secretory granule localization / natural killer cell chemotaxis / neutrophil extravasation / phosphatidylinositol-4-phosphate 3-kinase / positive regulation of acute inflammatory response / respiratory burst involved in defense response / negative regulation of cardiac muscle contraction / regulation of calcium ion transmembrane transport / T cell chemotaxis ...negative regulation of triglyceride catabolic process / secretory granule localization / natural killer cell chemotaxis / neutrophil extravasation / phosphatidylinositol-4-phosphate 3-kinase / positive regulation of acute inflammatory response / respiratory burst involved in defense response / negative regulation of cardiac muscle contraction / regulation of calcium ion transmembrane transport / T cell chemotaxis / negative regulation of fibroblast apoptotic process / phosphatidylinositol 3-kinase complex, class IB / sphingosine-1-phosphate receptor signaling pathway / phosphatidylinositol 3-kinase complex, class IA / dendritic cell chemotaxis / 1-phosphatidylinositol-4-phosphate 3-kinase activity / 1-phosphatidylinositol-4,5-bisphosphate 3-kinase activity / phosphatidylinositol-4,5-bisphosphate 3-kinase / phosphatidylinositol 3-kinase / phosphatidylinositol-3-phosphate biosynthetic process / 1-phosphatidylinositol-3-kinase activity / Erythropoietin activates Phosphoinositide-3-kinase (PI3K) / mast cell degranulation / hepatocyte apoptotic process / positive regulation of Rac protein signal transduction / regulation of cell adhesion mediated by integrin / Synthesis of PIPs at the plasma membrane / phosphatidylinositol-mediated signaling / phosphatidylinositol phosphate biosynthetic process / regulation of angiogenesis / phosphorylation / T cell proliferation / cellular response to cAMP / GPVI-mediated activation cascade / ephrin receptor binding / neutrophil chemotaxis / phosphatidylinositol 3-kinase/protein kinase B signal transduction / positive regulation of endothelial cell migration / T cell activation / positive regulation of cytokine production / positive regulation of MAP kinase activity / platelet aggregation / endocytosis / G beta:gamma signalling through PI3Kgamma / kinase activity / phospholipase C-activating G protein-coupled receptor signaling pathway / positive regulation of cytosolic calcium ion concentration / angiogenesis / adaptive immune response / positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / non-specific serine/threonine protein kinase / protein kinase activity / inflammatory response / immune response / G protein-coupled receptor signaling pathway / innate immune response / protein serine kinase activity / protein serine/threonine kinase activity / ATP binding / identical protein binding / membrane / plasma membrane / cytosol / cytoplasm
Similarity search - Function
PIK3 catalytic subunit gamma, adaptor-binding domain / PIK3 catalytic subunit gamma adaptor-binding domain / Phosphatidylinositol 3-/4-kinase, catalytic domain / Phosphatidylinositol 3-kinase, accessory domain (PIK) / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 4 / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 4 / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, Domain 5 / C2 domain / Phosphatidylinositol 3-kinase, adaptor-binding domain / Phosphatidylinositol 3-kinase adaptor-binding (PI3K ABD) domain profile. ...PIK3 catalytic subunit gamma, adaptor-binding domain / PIK3 catalytic subunit gamma adaptor-binding domain / Phosphatidylinositol 3-/4-kinase, catalytic domain / Phosphatidylinositol 3-kinase, accessory domain (PIK) / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 4 / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 4 / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, Domain 5 / C2 domain / Phosphatidylinositol 3-kinase, adaptor-binding domain / Phosphatidylinositol 3-kinase adaptor-binding (PI3K ABD) domain profile. / PI3-kinase family, Ras-binding domain / Phosphatidylinositol 3-kinase Ras-binding (PI3K RBD) domain / PI3-kinase family, ras-binding domain / Phosphatidylinositol 3-kinase Ras-binding (PI3K RBD) domain profile. / C2 phosphatidylinositol 3-kinase-type domain / Phosphoinositide 3-kinase C2 / C2 phosphatidylinositol 3-kinase (PI3K)-type domain profile. / Phosphoinositide 3-kinase, region postulated to contain C2 domain / Phosphoinositide 3-kinase family, accessory domain (PIK domain) / Phosphoinositide 3-kinase family, accessory domain (PIK domain) / Phosphoinositide 3-kinase, accessory (PIK) domain superfamily / Phosphoinositide 3-kinase, accessory (PIK) domain / Phosphatidylinositol kinase / PIK helical domain profile. / Phosphatidylinositol 3- and 4-kinases signature 1. / Phosphatidylinositol 3- and 4-kinases signature 2. / Phosphatidylinositol 3/4-kinase, conserved site / Phosphatidylinositol 3-/4-kinase, catalytic domain superfamily / Phosphoinositide 3-kinase, catalytic domain / Phosphatidylinositol 3- and 4-kinases catalytic domain profile. / Phosphatidylinositol 3-/4-kinase, catalytic domain / Phosphatidylinositol 3- and 4-kinase / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1 / C2 domain superfamily / Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat / Ubiquitin-like (UB roll) / Alpha Horseshoe / Armadillo-type fold / Ubiquitin-like domain superfamily / Roll / Protein kinase-like domain superfamily / Immunoglobulin-like / Sandwich / 2-Layer Sandwich / Orthogonal Bundle / Mainly Beta / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
Chem-980 / Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.788 Å
AuthorsMurray, J.M. / Wiesmann, C.
CitationJournal: J.Med.Chem. / Year: 2011
Title: Discovery of a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor (GDC-0980) for the Treatment of Cancer.
Authors: Sutherlin, D.P. / Bao, L. / Berry, M. / Castanedo, G. / Chuckowree, I. / Dotson, J. / Folks, A. / Friedman, L. / Goldsmith, R. / Gunzner, J. / Heffron, T. / Lesnick, J. / Lewis, C. / ...Authors: Sutherlin, D.P. / Bao, L. / Berry, M. / Castanedo, G. / Chuckowree, I. / Dotson, J. / Folks, A. / Friedman, L. / Goldsmith, R. / Gunzner, J. / Heffron, T. / Lesnick, J. / Lewis, C. / Mathieu, S. / Murray, J. / Nonomiya, J. / Pang, J. / Pegg, N. / Prior, W.W. / Rouge, L. / Salphati, L. / Sampath, D. / Tian, Q. / Tsui, V. / Wan, N.C. / Wang, S. / Wei, B. / Wiesmann, C. / Wu, P. / Zhu, B.Y. / Olivero, A.
History
DepositionAug 29, 2011Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 2, 2011Provider: repository / Type: Initial release
Revision 1.1Nov 16, 2011Group: Database references
Revision 1.2Sep 13, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
hetero molecules


Theoretical massNumber of molelcules
Total (without water)111,2262
Polymers110,7271
Non-polymers4991
Water23413
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)140.865, 67.012, 105.812
Angle α, β, γ (deg.)90.000, 96.770, 90.000
Int Tables number5
Space group name H-MC121

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Components

#1: Protein Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform / Phosphoinositide 3-kinase p110-gamma-isoform / PI3-kinase subunit gamma / PI3K-gamma / PtdIns-3- ...Phosphoinositide 3-kinase p110-gamma-isoform / PI3-kinase subunit gamma / PI3K-gamma / PtdIns-3-kinase subunit gamma / Phosphatidylinositol-4 / 5-bisphosphate 3-kinase 110 kDa catalytic subunit gamma / PtdIns-3-kinase subunit p110-gamma / p120-PI3K


Mass: 110727.102 Da / Num. of mol.: 1 / Fragment: UNP residues 144-1102
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: PIK3CG / Production host: Spodoptera frugiperda (fall armyworm) / Strain (production host): SF9
References: UniProt: P48736, phosphatidylinositol-4,5-bisphosphate 3-kinase
#2: Chemical ChemComp-980 / (2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one


Mass: 498.601 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C23H30N8O3S
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 13 / 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: 2.24 Å3/Da / Density % sol: 45.07 %
Crystal growTemperature: 289 K / Method: vapor diffusion, hanging drop / pH: 8.5
Details: PEG3350, 0.2 M ammonium sulfate, 0.1 M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 5.0.2 / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Oct 15, 2008
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionRedundancy: 3.5 % / Av σ(I) over netI: 16.02 / Number: 75880 / Rmerge(I) obs: 0.071 / Χ2: 1.22 / D res high: 2.9 Å / D res low: 20 Å / Num. obs: 21867 / % possible obs: 97.5
Diffraction reflection shell
Highest resolution (Å)Lowest resolution (Å)% possible obs (%)IDRmerge(I) obsChi squaredRedundancy
6.192099.510.0480.9643.5
4.946.1910010.0571.1663.5
4.324.9499.810.0611.1243.6
3.934.3299.810.0781.3473.6
3.653.9310010.1051.3253.7
3.443.6510010.1411.4133.7
3.263.4499.810.2011.353.6
3.123.2698.610.271.2313.5
33.1294.210.3471.1123.1
2.9383.310.3651.0172.8
ReflectionResolution: 2.783→105.074 Å / Num. all: 24830 / Num. obs: 24244 / % possible obs: 97.5 % / Observed criterion σ(I): 2 / Redundancy: 3.5 % / Rmerge(I) obs: 0.071 / Χ2: 1.218 / Net I/σ(I): 13.8
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique allΧ2Diffraction-ID% possible all
2.783-32.80.36518431.017183.3
3-3.123.10.34720931.112194.2
3.12-3.263.50.2721901.231198.6
3.26-3.443.60.20122421.35199.8
3.44-3.653.70.14122081.4131100
3.65-3.933.70.10522621.3251100
3.93-4.323.60.07822141.347199.8
4.32-4.943.60.06122601.124199.8
4.94-6.193.50.05722501.1661100
6.19-203.50.04823050.964199.5

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassificationNB
DENZOdata reduction
SCALEPACKdata scaling
PHASERphasing
PHENIX1.7.1_743refinement
PDB_EXTRACT3.1data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1E8X

1e8x


Resolution: 2.788→61.673 Å / Occupancy max: 1 / Occupancy min: 1 / SU ML: 0.79 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 28.93 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2667 1236 5.1 %RANDOM
Rwork0.1994 ---
obs0.2028 24234 98.14 %-
Solvent computationShrinkage radii: 0.95 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 54.636 Å2 / ksol: 0.305 e/Å3
Displacement parametersBiso max: 243.82 Å2 / Biso mean: 89.3092 Å2 / Biso min: 20 Å2
Baniso -1Baniso -2Baniso -3
1--14.4478 Å20 Å24.154 Å2
2--6.5934 Å20 Å2
3---7.8544 Å2
Refinement stepCycle: LAST / Resolution: 2.788→61.673 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6820 0 35 13 6868
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0137008
X-RAY DIFFRACTIONf_angle_d2.1959492
X-RAY DIFFRACTIONf_chiral_restr0.1931065
X-RAY DIFFRACTIONf_plane_restr0.0131205
X-RAY DIFFRACTIONf_dihedral_angle_d16.6942609
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 9

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.788-2.89930.34191380.274125652703100
2.8993-3.03120.38421390.275925642703100
3.0312-3.1910.29391490.253425862735100
3.191-3.3910.31691220.22922582270499
3.391-3.65270.30141450.21362542268799
3.6527-4.02030.27921270.19572557268498
4.0203-4.60180.23561500.16852509265997
4.6018-5.79720.24481390.17632511265096
5.7972-61.68790.23231270.18672582270995
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)
1-0.0042-0.05250.01443.63910.69820.52910.07871.2694-1.2284-1.2033-0.41040.10991.06450.1284-0.15370.60230.0223-0.14061.1619-0.59841.086827.339728.88943.8366
20.00990.0146-0.01570.10160.1280.23810.4180.0764-0.5202-0.27130.0533-0.1913-0.23210.7163-0.13680.6341-0.0019-0.10921.0477-0.38270.885942.513233.82316.1575
30.7920.53590.30241.6452-0.00081.41030.28670.0875-0.95220.44620.53820.46090.53380.14620.8110.64260.2008-0.04970.3809-0.19631.012736.474524.607417.0476
41.6583-0.61090.34372.1460.84133.14830.5158-0.5376-0.33450.34470.1526-0.2173-0.016-0.6944-0.1060.5996-0.06440.00080.56540.28810.984617.722731.319432.4616
54.3635-0.59412.85251.64711.57236.3565-0.3021-0.6512-0.2630.6289-0.0449-0.04870.1901-0.19160.12571.37590.09110.18841.4321-0.35921.01513.017147.593248.1432
62.4892-0.27820.76991.7377-1.06782.4-0.2178-0.91890.15340.22980.00190.32260.2589-0.9270.25580.69420.09510.40281.50770.31531.4855-0.760735.598140.1387
76.271.79072.33532.05142.74523.68440.2982-0.3716-1.51930.3236-0.33250.48081.0956-0.0961-0.19120.7516-0.23230.13320.8437-0.03891.67081.576228.662629.993
81.11830.3090.79440.75581.09341.75110.699-0.169-0.59150.38310.21140.58360.854-0.0869-0.15230.7406-0.16770.21090.76080.26280.74329.783735.09931.6235
92.2462-1.21011.17021.00760.31133.1502-0.4047-0.8646-0.08890.140.3930.3671-0.4653-0.2438-0.06880.62060.20350.17770.99580.19391.001412.003542.237338.5743
104.88764.26282.49163.97681.68522.17050.11360.02760.42430.0368-0.03120.3917-0.398-0.5522-0.08990.48870.00520.10241.13130.48181.47584.368147.420736.0005
110.8938-0.6973-1.28660.99280.8791.9042-0.38010.4524-0.4167-0.14960.137-0.05420.2896-0.7350.09370.3095-0.254-0.10911.2668-0.16341.1573.57630.467725.7859
122.65611.95010.74964.3836-2.76774.163-0.6016-0.4169-0.1411-0.53920.05390.10820.77360.29760.27670.65820.00540.17980.7217-0.19021.397118.319122.642814.8708
131.86511.0165-1.27821.6014-1.06714.2444-1.00730.2699-0.6839-0.15680.2697-0.05980.65731.0197-0.69030.38280.21840.0541.9974-0.23680.431367.661835.805912.7237
142.52680.52353.24340.13850.63774.1646-0.6590.18341.9852-0.9102-0.54720.1121-1.21720.08430.64661.6575-0.591-0.20121.62160.06851.220260.03158.52112.5084
151.64070.3369-0.42451.1801-0.60032.48670.14321.1126-0.4357-0.2286-0.13810.0063-0.09811.3385-0.06290.4112-0.006-0.06151.2738-0.10250.496464.960842.322916.1417
163.6743-1.12091.43091.30571.41494.1474-0.64880.53670.33260.321-0.0705-0.1388-0.92210.6694-0.18050.4406-0.2514-0.17640.9569-0.10830.188759.478147.396714.9767
172.52730.8811-0.14481.26120.85661.94650.05280.45-0.1552-0.06890.2128-0.0459-0.53490.45830.00430.4120.03650.05220.9773-0.08410.30955.358143.390814.2754
184.4358-2.2503-0.58212.6798-0.90331.01660.17960.0178-0.38520.0339-0.1060.30840.2118-0.16350.14930.46770.40720.11820.7374-0.43181.571852.549924.984417.7541
19-0.02060.00030.02661.6589-0.2741.26840.16590.5868-0.52070.4849-0.27170.0893-0.147-0.06940.34650.50810.3191-0.01131.7159-0.8267-0.482157.872334.99568.4728
202.00121.92586.77891.87071.63964.3016-0.2184-0.19751.43020.5301-0.61610.3282-1.55170.4421-0.14330.863-0.27960.36680.7894-0.27350.639149.896853.095211.3942
217.1195-0.2675-0.666.3519-0.82585.5837-0.2598-0.26520.20990.3392-0.5467-0.3691-1.25360.06170.3220.5711-0.0214-0.09520.7896-0.20440.520548.83348.434520.7535
220.025-0.108-0.14581.74510.35250.77790.09360.3566-0.2101-0.27520.21430.0382-0.02130.24860.28980.39420.31010.27891.1123-0.3035-0.206448.490241.34711.3025
231.72642.7055-1.06074.6911-1.42430.77220.21120.1897-0.2899-0.23210.32260.06560.38890.04180.21650.63710.0316-0.13171.6122-0.40610.658747.745745.94630.3149
245.63441.29681.78220.8116-0.60592.89980.13720.56250.083-0.1525-0.0704-0.21550.03440.24090.18520.1413-0.04460.14531.6281-0.05440.710457.293945.05314.3275
254.1327-1.4885-3.13576.5633.87623.6376-0.5576-0.8252-0.44530.647-0.34150.05611.36270.90840.28710.44790.21360.40091.7621-0.22180.538365.018931.819210.4868
261.9948-3.287-0.82686.17251.59660.7178-0.33-0.421-1.038-0.36340.3094-0.8210.7609-0.0384-0.21170.70650.06130.20630.99750.1230.764756.311940.041454.6221
273.1931-0.6651-0.10242.0983-0.582.1431-0.3098-0.15070.50820.55770.6486-0.1872-0.0486-0.4961-0.12870.56140.09450.12960.7978-0.0450.470155.896940.65545.1105
285.79340.7421-2.35182.263-0.51474.20860.169-0.1901-1.2379-0.0095-0.3121-0.0958-0.02190.3981-0.11170.46870.1082-0.03910.47980.01990.520455.587333.173738.1265
292.41950.5952-0.84940.94580.57152.25070.1616-0.2428-0.4130.2126-0.00060.02560.39150.3074-0.07510.57480.11220.0170.39460.18450.626143.708835.447638.8688
304.33550.09740.47581.5197-0.65681.84960.1311-0.5962-1.47660.40060.01680.04390.2261-0.2982-0.05950.51990.10140.0010.35460.13240.82339.34131.872334.763
312.8475-0.2760.8781.54060.14932.03060.0910.1881-0.68050.00980.07050.17930.1135-0.042-0.19030.34440.02840.01180.2229-0.04570.424232.924937.092321.5999
322.32760.2739-0.43146.948-2.23992.58670.09531.5021-0.4027-0.21330.1216-0.4241-0.1856-0.6523-0.03820.4190.15380.00460.64880.01120.725520.443146.87048.1059
332.0382-0.32470.09673.4248-0.25863.14090.40881.41890.177-0.4003-0.24140.4118-0.2027-0.662-0.22910.51520.25090.12260.89210.14150.63712.886453.595211.9396
342.7207-0.3651.02562.6794-0.21952.0765-0.2527-0.08121.03730.3894-0.2276-0.0155-0.5973-0.44310.20550.62970.1978-0.05160.4165-0.03380.735820.411662.384531.399
350.22450.1978-0.55770.4316-1.12353.0008-0.0032-0.27010.85870.3445-0.713-0.3292-1.5211-0.39740.18911.42690.2887-0.40190.5637-0.34751.397624.028873.87840.9634
361.8344-0.7048-1.07042.05190.68911.015-0.4015-0.78870.53680.71840.1331-0.1843-0.2087-0.36670.27490.84490.2155-0.0840.7591-0.11820.353432.02356.379141.8167
373.41550.332-0.85750.027-0.08070.2137-0.05440.3737-0.17590.1862-0.0011-0.5280.16770.52550.02761.4447-0.25250.08680.81390.20771.158346.806955.637325.4435
380.9182-1.138-0.59512.8818-1.13472.6241-0.3157-0.20311.7390.317-0.44740.106-1.15210.93010.08471.0745-0.0697-0.32760.4839-0.1621.570935.570268.535238.883
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resseq 143:158)A0
2X-RAY DIFFRACTION2chain 'A' and (resseq 159:171)A0
3X-RAY DIFFRACTION3chain 'A' and (resseq 172:188)A0
4X-RAY DIFFRACTION4chain 'A' and (resseq 189:208)A0
5X-RAY DIFFRACTION5chain 'A' and (resseq 209:214)A0
6X-RAY DIFFRACTION6chain 'A' and (resseq 215:251)A0
7X-RAY DIFFRACTION7chain 'A' and (resseq 267:274)A0
8X-RAY DIFFRACTION8chain 'A' and (resseq 275:286)A0
9X-RAY DIFFRACTION9chain 'A' and (resseq 287:298)A0
10X-RAY DIFFRACTION10chain 'A' and (resseq 299:304)A0
11X-RAY DIFFRACTION11chain 'A' and (resseq 305:312)A0
12X-RAY DIFFRACTION12chain 'A' and (resseq 313:320)A0
13X-RAY DIFFRACTION13chain 'A' and (resseq 357:369)A0
14X-RAY DIFFRACTION14chain 'A' and (resseq 370:381)A0
15X-RAY DIFFRACTION15chain 'A' and (resseq 382:427)A0
16X-RAY DIFFRACTION16chain 'A' and (resseq 428:435)A0
17X-RAY DIFFRACTION17chain 'A' and (resseq 460:469)A0
18X-RAY DIFFRACTION18chain 'A' and (resseq 470:474)A0
19X-RAY DIFFRACTION19chain 'A' and (resseq 475:484)A0
20X-RAY DIFFRACTION20chain 'A' and (resseq 485:489)A0
21X-RAY DIFFRACTION21chain 'A' and (resseq 497:502)A0
22X-RAY DIFFRACTION22chain 'A' and (resseq 503:507)A0
23X-RAY DIFFRACTION23chain 'A' and (resseq 508:512)A0
24X-RAY DIFFRACTION24chain 'A' and (resseq 513:517)A0
25X-RAY DIFFRACTION25chain 'A' and (resseq 518:522)A0
26X-RAY DIFFRACTION26chain 'A' and (resseq 544:560)A0
27X-RAY DIFFRACTION27chain 'A' and (resseq 561:585)A0
28X-RAY DIFFRACTION28chain 'A' and (resseq 586:612)A0
29X-RAY DIFFRACTION29chain 'A' and (resseq 613:637)A0
30X-RAY DIFFRACTION30chain 'A' and (resseq 638:652)A0
31X-RAY DIFFRACTION31chain 'A' and (resseq 653:725)A0
32X-RAY DIFFRACTION32chain 'A' and (resseq 726:753)A0
33X-RAY DIFFRACTION33chain 'A' and (resseq 760:837)A0
34X-RAY DIFFRACTION34chain 'A' and (resseq 838:967)A0
35X-RAY DIFFRACTION35chain 'A' and (resseq 981:1003)A0
36X-RAY DIFFRACTION36chain 'A' and (resseq 1004:1038)A0
37X-RAY DIFFRACTION37chain 'A' and (resseq 1039:1045)A0
38X-RAY DIFFRACTION38chain 'A' and (resseq 1046:1093)A0

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