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- PDB-8t75: Crystal Structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD-CRD) -

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Basic information

Entry
Database: PDB / ID: 8t75
TitleCrystal Structure of KRAS4a (GMPPNP) in complex with RAF1 (RBD-CRD)
Components
  • GTPase KRas
  • RAF proto-oncogene serine/threonine-protein kinase
KeywordsONCOPROTEIN / KRAS / RAS / RAF1 / CRAF
Function / homology
Function and homology information


death-inducing signaling complex assembly / intermediate filament cytoskeleton organization / type B pancreatic cell proliferation / regulation of Rho protein signal transduction / SHOC2 M1731 mutant abolishes MRAS complex function / Gain-of-function MRAS complexes activate RAF signaling / Rap1 signalling / regulation of cell motility / insulin secretion involved in cellular response to glucose stimulus / forebrain astrocyte development ...death-inducing signaling complex assembly / intermediate filament cytoskeleton organization / type B pancreatic cell proliferation / regulation of Rho protein signal transduction / SHOC2 M1731 mutant abolishes MRAS complex function / Gain-of-function MRAS complexes activate RAF signaling / Rap1 signalling / regulation of cell motility / insulin secretion involved in cellular response to glucose stimulus / forebrain astrocyte development / Negative feedback regulation of MAPK pathway / regulation of synaptic transmission, GABAergic / negative regulation of epithelial cell differentiation / epithelial tube branching involved in lung morphogenesis / GP1b-IX-V activation signalling / type I pneumocyte differentiation / IFNG signaling activates MAPKs / ERBB2-ERBB3 signaling pathway / Rac protein signal transduction / regulation of cell differentiation / face development / skeletal muscle cell differentiation / pseudopodium / positive regulation of Rac protein signal transduction / Signaling by RAS GAP mutants / Signaling by RAS GTPase mutants / somatic stem cell population maintenance / Activation of RAS in B cells / neurotrophin TRK receptor signaling pathway / thyroid gland development / RAS signaling downstream of NF1 loss-of-function variants / RUNX3 regulates p14-ARF / SOS-mediated signalling / Activated NTRK3 signals through RAS / Activated NTRK2 signals through RAS / extrinsic apoptotic signaling pathway via death domain receptors / MAP kinase kinase kinase activity / SHC1 events in ERBB4 signaling / Signalling to RAS / glial cell proliferation / SHC-related events triggered by IGF1R / Activated NTRK2 signals through FRS2 and FRS3 / negative regulation of protein-containing complex assembly / Estrogen-stimulated signaling through PRKCZ / SHC-mediated cascade:FGFR3 / MET activates RAS signaling / PTK6 Regulates RHO GTPases, RAS GTPase and MAP kinases / Schwann cell development / Signaling by PDGFRA transmembrane, juxtamembrane and kinase domain mutants / Signaling by PDGFRA extracellular domain mutants / SHC-mediated cascade:FGFR2 / type II interferon-mediated signaling pathway / SHC-mediated cascade:FGFR4 / protein-membrane adaptor activity / Signaling by FGFR4 in disease / SHC-mediated cascade:FGFR1 / Erythropoietin activates RAS / homeostasis of number of cells within a tissue / negative regulation of extrinsic apoptotic signaling pathway via death domain receptors / positive regulation of glial cell proliferation / FRS-mediated FGFR3 signaling / Signaling by CSF3 (G-CSF) / Signaling by FLT3 ITD and TKD mutants / FRS-mediated FGFR2 signaling / FRS-mediated FGFR4 signaling / Signaling by FGFR3 in disease / p38MAPK events / FRS-mediated FGFR1 signaling / Tie2 Signaling / Signaling by FGFR2 in disease / GRB2 events in EGFR signaling / striated muscle cell differentiation / SHC1 events in EGFR signaling / response to muscle stretch / activation of adenylate cyclase activity / myelination / EGFR Transactivation by Gastrin / Signaling by FLT3 fusion proteins / Ras activation upon Ca2+ influx through NMDA receptor / FLT3 Signaling / Signaling by FGFR1 in disease / GRB2 events in ERBB2 signaling / NCAM signaling for neurite out-growth / CD209 (DC-SIGN) signaling / SHC1 events in ERBB2 signaling / Downstream signal transduction / Insulin receptor signalling cascade / Constitutive Signaling by Overexpressed ERBB2 / small monomeric GTPase / G protein activity / insulin-like growth factor receptor signaling pathway / thymus development / Signaling by phosphorylated juxtamembrane, extracellular and kinase domain KIT mutants / VEGFR2 mediated cell proliferation / FCERI mediated MAPK activation / regulation of long-term neuronal synaptic plasticity / Signaling by ERBB2 TMD/JMD mutants / RAF activation / Signaling by high-kinase activity BRAF mutants / Constitutive Signaling by EGFRvIII
Similarity search - Function
Raf-like Ras-binding domain / Raf-like Ras-binding / Ras-binding domain (RBD) profile. / Raf-like Ras-binding domain / Diacylglycerol/phorbol-ester binding / Phorbol esters/diacylglycerol binding domain (C1 domain) / Zinc finger phorbol-ester/DAG-type signature. / Zinc finger phorbol-ester/DAG-type profile. / Protein kinase C conserved region 1 (C1) domains (Cysteine-rich domains) / Protein kinase C-like, phorbol ester/diacylglycerol-binding domain ...Raf-like Ras-binding domain / Raf-like Ras-binding / Ras-binding domain (RBD) profile. / Raf-like Ras-binding domain / Diacylglycerol/phorbol-ester binding / Phorbol esters/diacylglycerol binding domain (C1 domain) / Zinc finger phorbol-ester/DAG-type signature. / Zinc finger phorbol-ester/DAG-type profile. / Protein kinase C conserved region 1 (C1) domains (Cysteine-rich domains) / Protein kinase C-like, phorbol ester/diacylglycerol-binding domain / C1-like domain superfamily / Small GTPase, Ras-type / small GTPase Ras family profile. / Ran (Ras-related nuclear proteins) /TC4 subfamily of small GTPases / Rho (Ras homology) subfamily of Ras-like small GTPases / Ras subfamily of RAS small GTPases / Small GTPase / Ras family / Rab subfamily of small GTPases / Small GTP-binding protein domain / Ubiquitin-like domain superfamily / Serine/threonine-protein kinase, active site / Serine/Threonine protein kinases active-site signature. / Protein kinase domain / Serine/Threonine protein kinases, catalytic domain / Protein kinase, ATP binding site / Protein kinases ATP-binding region signature. / Protein kinase domain profile. / Protein kinase domain / Protein kinase-like domain superfamily / P-loop containing nucleoside triphosphate hydrolase
Similarity search - Domain/homology
PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER / GTPase KRas / RAF proto-oncogene serine/threonine-protein kinase
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.65 Å
AuthorsWhitley, M.J. / Simanshu, D.K.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Cancer Institute (NIH/NCI)HHSN261200800001E United States
CitationJournal: Sci Adv / Year: 2024
Title: Comparative analysis of KRAS4a and KRAS4b splice variants reveals distinctive structural and functional properties.
Authors: Whitley, M.J. / Tran, T.H. / Rigby, M. / Yi, M. / Dharmaiah, S. / Waybright, T.J. / Ramakrishnan, N. / Perkins, S. / Taylor, T. / Messing, S. / Esposito, D. / Nissley, D.V. / McCormick, F. / ...Authors: Whitley, M.J. / Tran, T.H. / Rigby, M. / Yi, M. / Dharmaiah, S. / Waybright, T.J. / Ramakrishnan, N. / Perkins, S. / Taylor, T. / Messing, S. / Esposito, D. / Nissley, D.V. / McCormick, F. / Stephen, A.G. / Turbyville, T. / Cornilescu, G. / Simanshu, D.K.
History
DepositionJun 19, 2023Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 14, 2024Provider: repository / Type: Initial release
Revision 1.1Feb 28, 2024Group: Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_PubMed / _citation.title

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: GTPase KRas
B: RAF proto-oncogene serine/threonine-protein kinase
C: GTPase KRas
D: RAF proto-oncogene serine/threonine-protein kinase
E: GTPase KRas
F: RAF proto-oncogene serine/threonine-protein kinase
G: GTPase KRas
H: RAF proto-oncogene serine/threonine-protein kinase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)147,96824
Polymers145,2588
Non-polymers2,70916
Water1,38777
1
A: GTPase KRas
B: RAF proto-oncogene serine/threonine-protein kinase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)36,9926
Polymers36,3152
Non-polymers6774
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
C: GTPase KRas
D: RAF proto-oncogene serine/threonine-protein kinase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)36,9926
Polymers36,3152
Non-polymers6774
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
E: GTPase KRas
F: RAF proto-oncogene serine/threonine-protein kinase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)36,9926
Polymers36,3152
Non-polymers6774
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
G: GTPase KRas
H: RAF proto-oncogene serine/threonine-protein kinase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)36,9926
Polymers36,3152
Non-polymers6774
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)104.409, 199.509, 113.428
Angle α, β, γ (deg.)90.000, 112.280, 90.000
Int Tables number5
Space group name H-MC121

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Components

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Protein , 2 types, 8 molecules ACEGBDFH

#1: Protein
GTPase KRas / K-Ras 2 / Ki-Ras / c-K-ras / c-Ki-ras


Mass: 20426.123 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: KRAS, KRAS2, RASK2 / Production host: Escherichia coli (E. coli) / References: UniProt: P01116, small monomeric GTPase
#2: Protein
RAF proto-oncogene serine/threonine-protein kinase / Proto-oncogene c-RAF / cRaf / Raf-1


Mass: 15888.440 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: RAF1, RAF / Production host: Escherichia coli (E. coli)
References: UniProt: P04049, non-specific serine/threonine protein kinase

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Non-polymers , 4 types, 93 molecules

#3: Chemical
ChemComp-GNP / PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER / 5'-Guanylyl imidodiphosphate


Mass: 522.196 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C10H17N6O13P3
Comment: GppNHp, GMPPNP, energy-carrying molecule analogue*YM
#4: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#5: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Zn
#6: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 77 / 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: 3.96 Å3/Da / Density % sol: 68.93 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / Details: 0.1 M sodium acetate (pH 4.6), 2 M sodium formate

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.9792 Å
DetectorType: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: Jul 1, 2022
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9792 Å / Relative weight: 1
ReflectionResolution: 2.65→46.45 Å / Num. obs: 61031 / % possible obs: 98.3 % / Redundancy: 3.3 % / Biso Wilson estimate: 63.03 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.082 / Rrim(I) all: 0.098 / Net I/σ(I): 10.73
Reflection shell
Resolution (Å)Rmerge(I) obsNum. unique obsCC1/2Rrim(I) allDiffraction-ID
2.65-2.810.83398140.6040.9881
2.81-3.010.50193070.8120.5931
3.01-3.250.25986500.9460.3081
3.25-3.550.14479820.9780.1721
3.55-3.970.09169930.9890.111
3.97-4.580.05564080.9960.0661
4.58-5.60.04954050.9960.0591
5.6-7.860.04540800.9970.0541
7.86-46.450.02923920.9990.0341

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Processing

Software
NameVersionClassification
XDSdata reduction
XDSdata scaling
PHASERphasing
PHENIX1.20.1_4487refinement
PDB_EXTRACT3.28data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.65→46.45 Å / SU ML: 0.37 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 25.82 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.219 2013 3.3 %
Rwork0.178 59001 -
obs0.179 61014 98.46 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 192.32 Å2 / Biso mean: 76.6592 Å2 / Biso min: 33.03 Å2
Refinement stepCycle: final / Resolution: 2.65→46.45 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9643 0 140 77 9860
Biso mean--66.2 62.14 -
Num. residues----1196
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0029953
X-RAY DIFFRACTIONf_angle_d0.37813450
X-RAY DIFFRACTIONf_chiral_restr0.0391510
X-RAY DIFFRACTIONf_plane_restr0.0031756
X-RAY DIFFRACTIONf_dihedral_angle_d10.2593784
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 14

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.65-2.720.36951410.35334130427197
2.72-2.790.33061450.29034246439199
2.79-2.870.33741440.28124227437199
2.87-2.970.29491460.26434280442699
2.97-3.070.31371430.25724201434499
3.07-3.20.26171450.22734230437599
3.2-3.340.26011440.19714224436899
3.34-3.520.23481450.19314243438899
3.52-3.740.24661420.18284185432798
3.74-4.030.22231410.16374121426296
4.03-4.430.18131440.13874227437199
4.43-5.070.15991450.12784257440299
5.07-6.390.18951440.15364232437698
6.39-46.450.17481440.15194198434297
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)
15.4266-1.456-0.16473.70081.01032.6105-0.0771-0.1847-0.08150.091-0.0119-0.02330.0379-0.04290.08820.408-0.09560.09740.49210.12580.389535.247390.544324.0757
25.48845.2375.30345.41565.45715.8837-0.31680.193-0.63420.35320.30541.85110.7561-0.85320.22890.7522-0.2687-0.01031.0890.04211.192318.751887.331620.7708
35.2155-0.1441-0.41316.68711.55462.74470.0834-0.5445-0.61980.6031-0.06560.55580.1829-0.84230.05650.7256-0.12840.18250.83230.15860.547124.558784.917535.0152
42.197-1.2153-0.14163.01240.69463.55320.2055-0.7231-0.87581.0353-0.0297-0.29390.7378-0.16240.00120.6509-0.07750.04710.64140.18570.565834.240680.397434.5352
52.868-0.4253-0.31083.23330.47735.0118-0.0198-0.06380.14980.06280.0390.0958-0.2137-0.3761-0.01430.4283-0.04910.11450.5486-0.0250.467130.2195102.61588.5288
65.7581-3.49055.21734.0799-4.45816.09680.1973-0.2902-0.6833-0.17210.13210.09730.4993-0.3642-0.31820.5724-0.00070.05920.52480.04820.552654.760588.861217.7591
74.7552-0.17110.14851.40690.32996.3173-0.0162-0.2940.02340.3324-0.29070.0871-0.4062-0.15930.25240.3429-0.0150.00260.295-0.05140.4220.4842129.078336.7611
83.3777-2.06681.50121.9203-0.21112.8387-0.15610.26560.11390.20310.22190.2994-0.16450.1934-0.02760.7319-0.1130.04050.6953-0.08040.708916.6131126.698947.8726
98.6156-3.447-1.91238.64631.8036.9873-0.10130.325-0.3097-0.24950.0561-0.12180.42950.1807-0.00220.437-0.0411-0.00930.36-0.05730.360525.2711134.959934.022
105.0616-1.7713-1.57983.1436-1.26982.82040.38230.90480.1358-0.2246-0.54320.7407-0.6922-0.72910.10970.66640.0407-0.12870.84290.01180.85857.8246131.121630.5392
113.4274-0.49910.8835.3687-4.79825.41490.1981-0.1918-0.2440.25350.23761.22940.2028-1.0708-0.3630.5026-0.07760.12480.5746-0.14820.574413.0413115.550935.3025
127.8293-1.8313.34159.4061-5.13468.30810.01620.2074-0.538-0.16520.13040.77510.6996-0.5577-0.21180.3708-0.07350.08660.4272-0.1390.501613.8098118.296329.8787
134.0955-3.0436-1.29784.598-3.66559.8369-0.05960.8535-0.5198-0.4199-0.18450.98220.5727-0.42330.35060.803-0.09760.20730.6473-0.09230.589917.8086109.440925.9726
149.6876-0.04296.88351.84941.06075.5061-0.15470.5022-0.2932-0.0163-0.0376-0.04170.52671.41770.18930.4915-0.0620.08280.4348-0.05140.518625.3792117.2136.3375
153.80320.7522-1.56475.3416-4.33454.5379-0.10450.47450.1268-0.73750.0057-0.37750.86170.18070.07960.4788-0.01310.06920.49320.00530.470325.8825128.544122.0375
169.7194.1665-3.03148.62-0.67549.29950.45010.32940.03240.32550.0746-0.2407-0.3579-0.5288-0.56820.34570.00870.03990.3025-0.01010.321510.807140.389543.2329
173.76-2.09840.67632.7004-0.69434.8026-0.009-0.00670.27150.2389-0.1285-0.17880.18630.21030.14840.4714-0.07030.02250.37710.01960.547815.0208141.683552.6834
182.582-1.1670.47534.9499-4.57424.367-0.041-0.70540.10490.49050.48570.3492-1.0199-0.1085-0.41340.5891-0.0013-0.09830.4548-0.04350.54127.0478153.060348.6341
193.07951.114-1.16867.6180.72083.7378-0.32021.15461.2228-1.14230.33610.6765-0.3027-0.932-0.02280.5863-0.048-0.00330.54660.03830.63867.501146.427447.8908
207.7704-5.2105-4.76369.10745.80754.28920.185-0.06250.6008-0.5-0.1167-0.2859-0.62360.6314-0.04620.593-0.00420.01940.5620.03560.692928.2975150.479944.2945
217.7914-4.13560.95373.4830.25668.1102-0.01420.2110.1696-0.04150.20760.0015-0.01960.5049-0.21590.4649-0.00340.0580.39650.00980.492546.8428136.339838.1136
224.7116-4.2563-2.59524.51193.63523.95390.29930.26060.3859-0.87630.04960.0476-0.3665-0.1031-0.4920.65220.02420.03630.5198-0.02830.747540.5627138.363837.3554
231.66881.20551.62266.78585.38714.5266-0.22430.00430.21610.47520.516-0.1530.06060.0256-0.24270.44790.0030.11440.4286-0.04460.532733.3234142.98244.1202
245.95360.2332-1.33475.74971.29792.1098-0.21580.1662-0.0535-0.00670.36940.0066-0.2434-0.2371-0.1610.42070.07340.01290.4597-0.050.357259.1547115.702530.9049
252.79410.4286-0.35752.69112.1252.7177-0.80140.4182-1.5107-0.14690.433-0.06850.66170.28230.39040.74670.12590.15240.56770.07350.690560.3164104.013833.5543
263.623-4.6049-2.32218.82822.50633.2943-0.1431-0.24680.99820.24360.1858-0.4562-0.2478-0.0831-0.15770.430.01760.03440.5536-0.04680.467956.2236119.377524.2773
275.18551.619-3.84785.238-2.47478.9339-0.2855-0.3138-0.42910.5212-0.1308-0.87240.03551.16320.43030.51460.1043-0.08940.6038-0.09270.491667.4716117.587139.3845
287.85981.3493-0.04475.9626-1.84719.4193-0.019-0.19680.87050.74920.0334-1.0431-0.69441.39320.04880.50620.0395-0.05450.6558-0.1070.707968.785125.090939.9228
292.59940.88051.1619.11942.84123.24020.0284-0.6314-0.07931.1067-0.11490.53940.3682-0.10460.09780.59370.10310.13870.5606-0.02360.381755.3965117.994647.2845
304.05324.7613-3.92926.7284-5.25724.15320.3147-0.10240.44630.73960.00690.7114-0.47760.3024-0.36650.4396-0.00130.05810.47740.0420.456856.0783129.962431.3803
315.92140.7657-0.21485.9748-0.65416.50240.0355-0.0955-0.15-0.0499-0.08030.04260.203-0.04330.05050.39210.05320.03610.4128-0.01210.344768.2522102.360516.6727
328.262-3.86613.58434.9258-2.42552.5307-0.0262-0.03350.75630.29060.0224-0.342-0.13640.2178-0.01550.56230.00330.05220.595-0.05460.464364.7254106.113112.2813
332.9952-1.1431-0.26466.6544-0.14950.175-0.24-0.2910.07230.0225-0.02960.34460.3335-0.29130.22290.47360.02430.11060.5909-0.00560.430936.1293120.109718.0504
345.4529-0.2947-3.38924.0192.81748.01190.088-0.43270.1464-0.06980.1379-0.2541-0.11160.252-0.20370.4090.00070.06080.5197-0.0010.384545.0234114.446316.2237
356.71972.29750.11547.7239-0.03687.245-0.39780.29330.57050.14970.0495-0.8297-0.5540.8790.35760.5501-0.08850.03030.39310.14690.7028-7.290285.784139.6089
364.4213-5.86781.34217.8722-2.18062.6652-0.5595-0.30260.15311.25560.0115-0.3059-0.2771-0.65830.44820.8768-0.181-0.03580.8796-0.12861.1147-7.227489.105951.2373
379.8726-0.19387.44628.01961.33699.2214-0.13691.11260.1309-0.5803-0.0898-0.4077-0.65370.8210.19070.4503-0.02090.13540.57530.15080.5975-10.918379.625235.9018
385.0935-2.69920.26549.65921.60757.22410.54330.88140.88250.9707-0.5326-1.0408-0.24870.4462-0.33350.6602-0.25160.14330.78730.08521.06665.263783.609737.5219
392.85840.10822.80756.88231.08662.8864-0.26870.35661.0690.1154-0.0815-1.3898-1.36811.16230.26381.1169-0.2776-0.02390.73740.39241.34580.697397.283935.9416
403.22582.5392-2.06062.6172-3.3586.1717-0.0459-0.0891.50830.4715-0.20750.0814-1.72040.1730.05911.2537-0.0965-0.16840.68270.30831.3454-7.4466100.613633.1308
418.155-2.6788-5.93027.44315.85796.60770.00631.29240.7028-0.3314-0.65650.616-1.403-1.09040.42290.669-0.0054-0.08860.64780.24880.6404-9.113886.529926.8936
425.34631.21335.06192.15580.60615.35320.25111.2199-0.0141-0.72430.26120.5230.08950.8404-0.35180.6029-0.08270.04650.60360.03660.8377-1.032374.416948.3127
435.76553.3897-5.26546.8835-1.64165.22920.4037-0.8011.33190.6367-0.17210.5831-2.37660.8638-0.34041.1641-0.1377-0.03310.8433-0.24970.92110.840880.304463.4831
444.4478-6.40182.92549.2195-4.34965.9266-0.2403-0.66260.5560.25860.1464-0.4445-1.18-0.7935-0.05830.4983-0.0660.10350.5487-0.09570.8626-7.692576.744857.4126
459.3341-6.29340.58757.7968-3.44186.6223-0.38710.1479-0.6880.60560.37550.8577-0.1001-0.60870.02840.537-0.04140.03260.4428-0.05670.6326-8.924669.505753.5509
461.3148-1.8785-1.85623.73591.20564.5923-0.17781.1453-0.7749-0.29060.8053-1.9501-0.71231.7824-0.58770.63490.00020.24410.8456-0.14011.16127.181857.346551.0508
474.76-5.3044-4.66536.15255.05154.6758-0.7568-1.86250.39012.27810.47320.56910.51380.30870.22910.7787-0.1097-0.01830.7745-0.04370.7342-2.90467.043662.1177
485.66183.17994.41194.1493.9096.3718-0.37290.8388-1.4925-0.76710.8377-0.08230.41491.0533-0.68490.5063-0.06030.06150.5409-0.03580.73431.796269.510355.1295
497.7504-5.33327.01674.4775-5.09456.32620.46210.5981-0.188-0.7409-0.3346-0.06950.81970.2850.20490.54070.00910.03470.4896-0.0070.6175-20.013467.888639.4785
509.5679-0.02614.29212.33681.54693.27530.0949-0.47910.62810.2944-0.277-0.392-0.9818-0.62510.05760.72510.05370.11020.47160.11270.7613-34.706580.256934.357
516.9578-6.30345.90726.9672-6.08755.56760.02320.05740.1206-0.24850.11370.19090.5518-0.3396-0.06450.5141-0.058-0.01870.55460.08040.5634-26.935474.344734.7643
524.808-1.6872-0.98027.9942-4.88294.2545-0.04580.27610.4867-0.7179-0.2365-0.46730.24580.12660.21280.61970.0104-0.00130.50420.02780.7324-22.168274.882941.1848
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 57 )A1 - 57
2X-RAY DIFFRACTION2chain 'A' and (resid 58 through 74 )A58 - 74
3X-RAY DIFFRACTION3chain 'A' and (resid 75 through 126 )A75 - 126
4X-RAY DIFFRACTION4chain 'A' and (resid 127 through 170 )A127 - 170
5X-RAY DIFFRACTION5chain 'B' and (resid 57 through 130 )B57 - 130
6X-RAY DIFFRACTION6chain 'B' and (resid 131 through 188 )B131 - 188
7X-RAY DIFFRACTION7chain 'C' and (resid 1 through 25 )C1 - 25
8X-RAY DIFFRACTION8chain 'C' and (resid 26 through 37 )C26 - 37
9X-RAY DIFFRACTION9chain 'C' and (resid 38 through 57 )C38 - 57
10X-RAY DIFFRACTION10chain 'C' and (resid 58 through 76 )C58 - 76
11X-RAY DIFFRACTION11chain 'C' and (resid 77 through 92 )C77 - 92
12X-RAY DIFFRACTION12chain 'C' and (resid 93 through 126 )C93 - 126
13X-RAY DIFFRACTION13chain 'C' and (resid 127 through 137 )C127 - 137
14X-RAY DIFFRACTION14chain 'C' and (resid 138 through 151 )C138 - 151
15X-RAY DIFFRACTION15chain 'C' and (resid 152 through 174 )C152 - 174
16X-RAY DIFFRACTION16chain 'D' and (resid 56 through 71 )D56 - 71
17X-RAY DIFFRACTION17chain 'D' and (resid 72 through 100 )D72 - 100
18X-RAY DIFFRACTION18chain 'D' and (resid 101 through 117 )D101 - 117
19X-RAY DIFFRACTION19chain 'D' and (resid 118 through 130 )D118 - 130
20X-RAY DIFFRACTION20chain 'D' and (resid 131 through 140 )D131 - 140
21X-RAY DIFFRACTION21chain 'D' and (resid 141 through 160 )D141 - 160
22X-RAY DIFFRACTION22chain 'D' and (resid 161 through 176 )D161 - 176
23X-RAY DIFFRACTION23chain 'D' and (resid 177 through 188 )D177 - 188
24X-RAY DIFFRACTION24chain 'E' and (resid 1 through 25 )E1 - 25
25X-RAY DIFFRACTION25chain 'E' and (resid 26 through 37 )E26 - 37
26X-RAY DIFFRACTION26chain 'E' and (resid 38 through 57 )E38 - 57
27X-RAY DIFFRACTION27chain 'E' and (resid 58 through 92 )E58 - 92
28X-RAY DIFFRACTION28chain 'E' and (resid 93 through 116 )E93 - 116
29X-RAY DIFFRACTION29chain 'E' and (resid 117 through 151 )E117 - 151
30X-RAY DIFFRACTION30chain 'E' and (resid 152 through 172 )E152 - 172
31X-RAY DIFFRACTION31chain 'F' and (resid 57 through 117 )F57 - 117
32X-RAY DIFFRACTION32chain 'F' and (resid 118 through 140 )F118 - 140
33X-RAY DIFFRACTION33chain 'F' and (resid 141 through 165 )F141 - 165
34X-RAY DIFFRACTION34chain 'F' and (resid 166 through 188 )F166 - 188
35X-RAY DIFFRACTION35chain 'G' and (resid 1 through 25 )G1 - 25
36X-RAY DIFFRACTION36chain 'G' and (resid 26 through 37 )G26 - 37
37X-RAY DIFFRACTION37chain 'G' and (resid 38 through 57 )G38 - 57
38X-RAY DIFFRACTION38chain 'G' and (resid 58 through 76 )G58 - 76
39X-RAY DIFFRACTION39chain 'G' and (resid 77 through 126 )G77 - 126
40X-RAY DIFFRACTION40chain 'G' and (resid 127 through 151 )G127 - 151
41X-RAY DIFFRACTION41chain 'G' and (resid 152 through 169 )G152 - 169
42X-RAY DIFFRACTION42chain 'H' and (resid 57 through 70 )H57 - 70
43X-RAY DIFFRACTION43chain 'H' and (resid 71 through 77 )H71 - 77
44X-RAY DIFFRACTION44chain 'H' and (resid 78 through 87 )H78 - 87
45X-RAY DIFFRACTION45chain 'H' and (resid 88 through 101 )H88 - 101
46X-RAY DIFFRACTION46chain 'H' and (resid 102 through 109 )H102 - 109
47X-RAY DIFFRACTION47chain 'H' and (resid 110 through 117 )H110 - 117
48X-RAY DIFFRACTION48chain 'H' and (resid 118 through 130 )H118 - 130
49X-RAY DIFFRACTION49chain 'H' and (resid 131 through 145 )H131 - 145
50X-RAY DIFFRACTION50chain 'H' and (resid 146 through 160 )H146 - 160
51X-RAY DIFFRACTION51chain 'H' and (resid 161 through 173 )H161 - 173
52X-RAY DIFFRACTION52chain 'H' and (resid 174 through 188 )H174 - 188

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