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- PDB-9eoy: Structure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464Hi... -

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Basic information

Entry
Database: PDB / ID: 9eoy
TitleStructure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464His, and Phe467Met mutant human CaMKII alpha hub bound to PIPA
ComponentsCalcium/calmodulin-dependent protein kinase type II subunit alpha
KeywordsSIGNALING PROTEIN / CAMKII HUB / OLIGOMER
Function / homology
Function and homology information


peptidyl-threonine autophosphorylation / regulation of endocannabinoid signaling pathway / calcium- and calmodulin-dependent protein kinase complex / Ca2+/calmodulin-dependent protein kinase / negative regulation of hydrolase activity / dendritic spine development / regulation of neuron migration / regulation of neurotransmitter secretion / Trafficking of AMPA receptors / positive regulation of calcium ion transport ...peptidyl-threonine autophosphorylation / regulation of endocannabinoid signaling pathway / calcium- and calmodulin-dependent protein kinase complex / Ca2+/calmodulin-dependent protein kinase / negative regulation of hydrolase activity / dendritic spine development / regulation of neuron migration / regulation of neurotransmitter secretion / Trafficking of AMPA receptors / positive regulation of calcium ion transport / calcium/calmodulin-dependent protein kinase activity / Assembly and cell surface presentation of NMDA receptors / regulation of mitochondrial membrane permeability involved in apoptotic process / CaMK IV-mediated phosphorylation of CREB / Phase 0 - rapid depolarisation / Negative regulation of NMDA receptor-mediated neuronal transmission / Unblocking of NMDA receptors, glutamate binding and activation / Ion transport by P-type ATPases / regulation of neuronal synaptic plasticity / Long-term potentiation / Regulation of MECP2 expression and activity / HSF1-dependent transactivation / glutamate receptor binding / regulation of protein localization to plasma membrane / cellular response to interferon-beta / positive regulation of cardiac muscle cell apoptotic process / Ion homeostasis / Ras activation upon Ca2+ influx through NMDA receptor / response to ischemia / angiotensin-activated signaling pathway / positive regulation of receptor signaling pathway via JAK-STAT / RAF activation / cellular response to type II interferon / long-term synaptic potentiation / G1/S transition of mitotic cell cycle / Interferon gamma signaling / Signaling by RAF1 mutants / Signaling by moderate kinase activity BRAF mutants / Paradoxical activation of RAF signaling by kinase inactive BRAF / Signaling downstream of RAS mutants / calcium ion transport / positive regulation of NF-kappaB transcription factor activity / kinase activity / Signaling by BRAF and RAF1 fusions / endocytic vesicle membrane / Ca2+ pathway / RAF/MAP kinase cascade / dendritic spine / calmodulin binding / neuron projection / postsynaptic density / protein phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / protein homodimerization activity / mitochondrion / nucleoplasm / ATP binding / metal ion binding / identical protein binding / nucleus / cytosol / cytoplasm
Similarity search - Function
Calcium/calmodulin-dependent protein kinase II, association-domain / Calcium/calmodulin dependent protein kinase II association domain / NTF2-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. ...Calcium/calmodulin-dependent protein kinase II, association-domain / Calcium/calmodulin dependent protein kinase II association domain / NTF2-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
Similarity search - Domain/homology
: / ACETATE ION / Calcium/calmodulin-dependent protein kinase type II subunit alpha
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.1 Å
AuthorsNarayanan, D. / Larsen, A.S.G. / Solbak, S.M.O. / Wellendorph, P. / Gee, C.L. / Kastrup, J.S.
Funding support Denmark, United States, 4items
OrganizationGrant numberCountry
LundbeckfondenR277-2018-260 Denmark
Novo Nordisk FoundationNNF17OC0028664 and NNF21OC0067835 Denmark
Independent Research Fund Denmark - Technology and Production Sciences1026-00335B Denmark
Howard Hughes Medical Institute (HHMI) United States
CitationJournal: Protein Sci. / Year: 2024
Title: Ligand-induced CaMKII alpha hub Trp403 flip, hub domain stacking, and modulation of kinase activity.
Authors: Narayanan, D. / Larsen, A.S.G. / Gauger, S.J. / Adafia, R. / Hammershoi, R.B. / Hamborg, L. / Bruus-Jensen, J. / Griem-Krey, N. / Gee, C.L. / Frolund, B. / Stratton, M.M. / Kuriyan, J. / ...Authors: Narayanan, D. / Larsen, A.S.G. / Gauger, S.J. / Adafia, R. / Hammershoi, R.B. / Hamborg, L. / Bruus-Jensen, J. / Griem-Krey, N. / Gee, C.L. / Frolund, B. / Stratton, M.M. / Kuriyan, J. / Kastrup, J.S. / Langkilde, A.E. / Wellendorph, P. / Solbak, S.M.O.
History
DepositionMar 15, 2024Deposition site: PDBE / Processing site: PDBE
Revision 1.0Sep 25, 2024Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Calcium/calmodulin-dependent protein kinase type II subunit alpha
B: Calcium/calmodulin-dependent protein kinase type II subunit alpha
C: Calcium/calmodulin-dependent protein kinase type II subunit alpha
D: Calcium/calmodulin-dependent protein kinase type II subunit alpha
E: Calcium/calmodulin-dependent protein kinase type II subunit alpha
F: Calcium/calmodulin-dependent protein kinase type II subunit alpha
G: Calcium/calmodulin-dependent protein kinase type II subunit alpha
hetero molecules


Theoretical massNumber of molelcules
Total (without water)109,98516
Polymers108,8617
Non-polymers1,1249
Water1,838102
1
A: Calcium/calmodulin-dependent protein kinase type II subunit alpha
B: Calcium/calmodulin-dependent protein kinase type II subunit alpha
C: Calcium/calmodulin-dependent protein kinase type II subunit alpha
D: Calcium/calmodulin-dependent protein kinase type II subunit alpha
E: Calcium/calmodulin-dependent protein kinase type II subunit alpha
F: Calcium/calmodulin-dependent protein kinase type II subunit alpha
G: Calcium/calmodulin-dependent protein kinase type II subunit alpha
hetero molecules

A: Calcium/calmodulin-dependent protein kinase type II subunit alpha
B: Calcium/calmodulin-dependent protein kinase type II subunit alpha
C: Calcium/calmodulin-dependent protein kinase type II subunit alpha
D: Calcium/calmodulin-dependent protein kinase type II subunit alpha
E: Calcium/calmodulin-dependent protein kinase type II subunit alpha
F: Calcium/calmodulin-dependent protein kinase type II subunit alpha
G: Calcium/calmodulin-dependent protein kinase type II subunit alpha
hetero molecules


Theoretical massNumber of molelcules
Total (without water)219,97032
Polymers217,72214
Non-polymers2,24818
Water25214
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation3_454-x-1,y,-z-1/21
Buried area34130 Å2
ΔGint-247 kcal/mol
Surface area76800 Å2
MethodPISA
Unit cell
Length a, b, c (Å)103.045, 182.918, 107.756
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number20
Space group name H-MC2221
Components on special symmetry positions
IDModelComponents
11A-606-

HOH

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Components

#1: Protein
Calcium/calmodulin-dependent protein kinase type II subunit alpha / CaM kinase II subunit alpha / CaMK-II subunit alpha


Mass: 15551.578 Da / Num. of mol.: 7 / Mutation: T354N, E355Q, T412N, I414M, I464H, and F467M
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CAMK2A, CAMKA, KIAA0968 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: Q9UQM7, Ca2+/calmodulin-dependent protein kinase
#2: Chemical
ChemComp-ACT / ACETATE ION


Mass: 59.044 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C2H3O2
#3: Chemical ChemComp-A1H6K / 2-[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]ethanoic acid


Mass: 287.701 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C14H10ClN3O2 / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical ChemComp-PG4 / TETRAETHYLENE GLYCOL


Mass: 194.226 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C8H18O5 / Comment: precipitant*YM
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 102 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY

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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: 2.38 Å3/Da / Density % sol: 48.42 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 8
Details: 500 nL protein + 2.65 mM compound in 25 mM Tris, 150 mM KCl, 10 mM imidazole, 1 mM DTT, 10% glycerol, pH 8.5, 10% DMSO + 1000 nL well solution (11% w/v PEG3350, 300 mM potassium acetate, pH ...Details: 500 nL protein + 2.65 mM compound in 25 mM Tris, 150 mM KCl, 10 mM imidazole, 1 mM DTT, 10% glycerol, pH 8.5, 10% DMSO + 1000 nL well solution (11% w/v PEG3350, 300 mM potassium acetate, pH 8.0), equilibrated against 50 uL well solution.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.2.2 / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS3 2M / Detector: PIXEL / Date: Jun 26, 2019
RadiationMonochromator: Double-crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.1→46.48 Å / Num. obs: 59633 / % possible obs: 100 % / Redundancy: 14.8 % / CC1/2: 0.999 / Rmerge(I) obs: 0.107 / Rpim(I) all: 0.029 / Rrim(I) all: 0.111 / Χ2: 1.01 / Net I/σ(I): 14.4 / Num. measured all: 885236
Reflection shellResolution: 2.1→2.16 Å / % possible obs: 100 % / Redundancy: 15 % / Rmerge(I) obs: 2.402 / Num. measured all: 68772 / Num. unique obs: 4582 / CC1/2: 0.576 / Rpim(I) all: 0.637 / Rrim(I) all: 2.486 / Χ2: 1.02 / Net I/σ(I) obs: 1.3

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Processing

Software
NameVersionClassification
PHENIX(1.20.1_4487)refinement
XDSdata reduction
Aimless0.7.4data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.1→46.48 Å / SU ML: 0.34 / Cross valid method: FREE R-VALUE / σ(F): 1.18 / Phase error: 32.25 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2509 3046 5.11 %5
Rwork0.2238 ---
obs0.2252 59590 99.96 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.1→46.48 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7501 0 77 102 7680
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0037810
X-RAY DIFFRACTIONf_angle_d0.6410554
X-RAY DIFFRACTIONf_dihedral_angle_d21.0452901
X-RAY DIFFRACTIONf_chiral_restr0.0441073
X-RAY DIFFRACTIONf_plane_restr0.0111391
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.1-2.130.43431260.36632533X-RAY DIFFRACTION100
2.13-2.170.37371290.35362540X-RAY DIFFRACTION100
2.17-2.210.34861480.37162546X-RAY DIFFRACTION100
2.21-2.250.40551620.36852538X-RAY DIFFRACTION100
2.25-2.290.40761010.38382570X-RAY DIFFRACTION100
2.29-2.340.31171300.34372566X-RAY DIFFRACTION100
2.34-2.390.34041380.322547X-RAY DIFFRACTION100
2.39-2.440.32581040.3122556X-RAY DIFFRACTION100
2.44-2.50.34431300.3212567X-RAY DIFFRACTION100
2.5-2.570.36331300.33082557X-RAY DIFFRACTION100
2.57-2.650.34031220.30072570X-RAY DIFFRACTION100
2.65-2.730.34151550.28812532X-RAY DIFFRACTION100
2.73-2.830.31521500.27932553X-RAY DIFFRACTION100
2.83-2.940.3281620.27372530X-RAY DIFFRACTION100
2.94-3.080.25261250.26682600X-RAY DIFFRACTION100
3.08-3.240.27231430.25512558X-RAY DIFFRACTION100
3.24-3.440.24051380.2322573X-RAY DIFFRACTION100
3.44-3.710.23691680.20292545X-RAY DIFFRACTION100
3.71-4.080.22491230.18662621X-RAY DIFFRACTION100
4.08-4.670.18081430.15592612X-RAY DIFFRACTION100
4.67-5.880.1911640.1642599X-RAY DIFFRACTION100
5.88-46.480.22131550.18032731X-RAY DIFFRACTION100
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)
13.1259-1.4682-0.92932.250.1910.3678-0.48670.92880.1656-0.5901-0.1285-1.50870.80770.3337-0.10741.2670.39460.86620.55540.0540.928-30.954-75.6785-29.357
23.73513.25410.74289.67034.60722.4468-0.90151.2381-0.4284-2.33030.8254-0.78460.82421.6393-0.00021.2395-0.14210.20050.95610.02571.0013-24.7643-64.4394-33.6266
32.90280.07252.24159.2331-0.11581.91-0.60630.0756-0.6137-0.05240.3214-0.4780.55110.83470.13320.82040.24220.34370.47640.11140.7008-28.4439-70.0859-21.7018
46.18250.31312.15574.09941.61644.0601-0.12580.3966-0.7158-0.04150.09280.19730.41790.27710.11950.99940.22670.40990.45510.07630.6207-32.5424-75.9396-24.8194
58.08560.49981.20981.00780.97546.5897-0.3316-0.7708-2.12931.4365-0.80931.22432.043-0.65571.03291.4932-0.12620.53950.77420.13031.0299-48.2479-84.3872-10.679
66.91123.06382.74387.4935-2.49847.08810.0893-1.6811-0.2691.6556-0.39150.06891.0924-0.77140.35231.41330.05870.32890.75910.12040.6331-41.9707-75.4215-0.194
71.94930.03212.19931.8872-1.01276.2347-0.7434-0.3554-0.25051.520.11880.20250.23290.07680.59430.83260.2110.15650.46820.10290.5362-36.7015-64.8727-10.9782
89.25992.1757-2.36027.59032.33575.79890.3936-1.05510.28021.3745-0.01380.16710.0062-0.1145-0.29391.32830.19620.30140.8336-0.02690.61-42.3722-65.0334-0.6937
96.2007-0.59511.18570.5078-0.09460.5873-0.1869-2.6220.28090.3445-0.19570.1786-0.1348-0.72550.11171.74380.04120.80991.3119-0.04941.0157-55.3436-64.628-1.449
102.6889-2.9766-1.75427.33885.06583.5595-0.3435-0.836-0.94981.2474-0.02970.9089-0.20280.06040.30291.5534-0.04590.52870.61070.20921.0969-56.0012-74.3777-14.4109
113.7713-1.95460.37024.03241.81073.41150.0644-0.4975-0.87030.7446-0.11380.14710.39260.01350.0690.99260.05560.45030.41860.04540.7237-46.2432-79.0642-16.6993
120.94080.23351.0660.60241.22112.8873-0.2157-0.30280.28990.12260.13230.0418-0.4502-0.34060.19351.57320.08821.04130.9072-0.55651.2914-64.6974-58.0203-11.2622
136.33820.64731.7462.2786-0.66073.38890.2127-0.536-0.3460.6419-0.490.02030.7933-0.057-0.06071.06420.01640.38140.46220.08570.5135-44.3383-76.1649-12.6354
147.73461.30123.04053.6893-2.86234.5206-0.649-1.256-0.77441.4590.93910.1350.1758-1.448-0.30331.16640.20560.39330.64640.14150.695-40.639-75.6265-10.0036
155.34151.3325-0.55594.9014-0.22961.6323-0.07881.0407-0.26510.35540.5561-1.91640.10651.7345-0.32440.53350.1671-0.16821.3238-0.13611.0903-9.0854-46.3582-18.6246
168.22132.94061.22054.555-2.12042.3919-0.70210.8069-1.0609-0.18150.9592-1.43241.08831.5303-0.22830.58460.19650.10090.8583-0.17790.8448-18.4793-55.884-24.378
175.4427-1.105-2.82718.46422.68723.2276-0.16961.2755-0.1781-1.3547-0.7621-1.27780.8736-0.25050.84231-0.0160.18720.90570.07560.8434-16.1283-39.3959-30.2354
184.4171-1.38980.47578.7723-2.11536.505-0.30190.0643-0.08630.1150.2176-1.14850.26831.19260.15980.5470.0917-0.26370.7375-0.06030.7727-14.8491-40.6566-15.7667
195.27541.4072-5.56536.7649-0.89957.83140.52690.3671-0.8018-0.73070.0092-1.19410.36561.0026-0.5760.83990.3349-0.20660.8545-0.15820.9356-13.2681-48.4678-16.0692
200.2661-0.14790.40241.962-1.96542.2733-0.1251-0.0245-0.53912.50720.0532-0.51131.42050.6056-0.2762.53380.4158-0.57480.54820.22020.6233-22.2687-50.79484.1192
212.00292.7105-3.47713.7616-5.13838.6881-0.1745-0.880.07032.59660.003-0.131-0.08940.91370.4711.67780.1383-0.04580.53640.17730.5681-28.3127-37.91231.897
221.45093.59622.57629.09976.59924.8281-1.0995-0.818-0.19930.6951-0.91772.22340.5629-0.02512.03632.025-0.24630.34371.6583-0.50550.9915-41.5246-48.04987.4096
231.1714-2.8638-1.95257.94312.83847.5045-0.6582-0.8664-0.30352.196-0.1820.7697-0.85290.17070.3981.83060.31420.05690.69940.07930.7301-31.8272-59.2583-1.8625
247.7117-1.17590.0474.15360.36961.6973-0.145-0.69530.07371.94240.0831-0.57420.57330.58430.15131.4750.6321-0.29420.44840.00960.8085-21.7562-56-4.2371
252.9206-0.37910.28946.86921.01494.0349-0.4221-0.2508-0.37171.5184-0.20340.59250.2337-0.04360.15881.46690.30870.02530.5250.11440.5702-30.5007-52.0939-3.7193
262.2190.0944-0.10594.5542-1.27424.8152-0.2907-1.2903-0.29071.71940.1352-0.3720.4028-0.0892-0.20931.60580.4266-0.26880.72190.15240.5368-20.706-47.71420.2746
271.79290.1968-0.03079.40272.37233.23650.1863-0.03030.144-1.50560.5057-0.9273-0.86350.9309-0.6270.548-0.24520.13280.6858-0.0040.6726-17.3633-14.9998-23.0818
287.81471.33390.44247.8046-7.82588.43160.17541.5935-0.0268-2.1126-0.5105-1.32290.19761.74560.03480.9458-0.1764-0.01851.14450.16960.6861-25.3437-15.2838-34.4949
295.83690.09860.71776.95622.09072.08320.07950.3064-0.2256-0.94370.0834-0.3506-1.68490.8524-0.00590.4431-0.2772-0.10970.50750.08020.3958-26.0695-10.8312-21.6337
309.07560.5753-0.94347.3611-2.14132.38210.04890.92740.538-0.9010.3722-0.8313-0.71641.2837-0.10460.1893-0.4603-0.09220.9103-0.00660.6858-18.9993-14.402-18.7412
311.8631-1.89970.59963.2769-1.2453.76630.1511-1.2805-0.64281.57150.1327-0.18860.46630.3737-0.27310.8065-0.0379-0.44310.76460.08740.5375-25.7508-16.51794.1702
322.329-2.1474-2.10745.49990.63496.34650.0619-0.11550.18530.53880.0670.28510.01690.0765-0.15730.366-0.0589-0.1790.32450.06130.4828-33.4004-11.335-7.6181
332.946-1.5061-2.33354.1179-3.92669.7651-0.1769-0.67080.0033-0.2465-0.54820.1541-0.78110.12420.32280.3515-0.0084-0.24250.5105-0.01910.4509-37.1782-10.4207-13.2649
349.8555-0.1331-0.96433.4079-3.34363.3964-0.23820.1110.0951-0.01780.30791.4718-0.5368-0.1306-0.07670.4659-0.0616-0.03970.58220.11160.5304-41.5977-12.4187-1.3803
352.8189-2.3738-3.35743.96863.39518.816-0.6312-1.8016-0.34221.49010.09791.19440.6553-0.4290.57461.1859-0.10990.04260.78170.20810.9262-36.6955-25.75053.2757
366.64-1.8869-1.42992.7553-2.59134.33670.5527-0.83110.4660.5759-0.155-0.8501-0.661.20980.50320.105-0.0738-0.52281.3277-0.33550.9361-14.5839-15.8206-5.5333
373.6957-0.3732-0.81578.31361.41014.563-0.629-1.0091-0.34880.94760.09740.51740.63470.6397-0.05410.39430.0074-0.22370.49960.11880.4673-29.4733-23.5945-3.8014
388.4453-4.0787-2.01935.10760.28268.6028-0.0138-0.59570.19631.0020.17430.03620.026-0.5313-0.1030.4175-0.1035-0.17880.51730.11780.3687-28.6106-14.2339-4.4715
393.26343.1132-4.19576.6531-1.43737.2420.3357-1.63071.04011.2798-0.6665-0.2549-1.56080.87340.33790.9839-0.1086-0.35350.8556-0.13240.8176-49.34715.342-11.8378
404.41041.725-0.56265.3938-1.6374.12450.3032-0.60840.49450.8089-0.22280.5245-0.5782-0.5029-0.15330.58590.109-0.19270.6115-0.16570.5895-63.7512-2.8439-17.5914
416.75932.2572-1.53498.7308-5.31917.504-0.2287-0.48020.66511.02150.25850.5054-1.3307-0.49490.08160.71480.02-0.17230.5348-0.08470.5893-50.5494-1.7532-13.1765
425.96511.4722-0.39046.8238-2.74125.7360.3052-0.9581-0.15480.058-0.59250.4296-0.4146-0.04980.26630.2945-0.0971-0.21230.5501-0.03010.5126-50.2584-5.519-15.2837
438.9158-1.039-1.59854.27824.48496.4161-0.274-0.68310.91651.09530.27750.067-0.6115-0.06980.20280.68550.0275-0.32810.4661-0.11220.6477-55.96152.328-19.9794
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 344 through 401 )
2X-RAY DIFFRACTION2chain 'A' and (resid 402 through 415 )
3X-RAY DIFFRACTION3chain 'A' and (resid 416 through 458 )
4X-RAY DIFFRACTION4chain 'A' and (resid 459 through 475 )
5X-RAY DIFFRACTION5chain 'B' and (resid 342 through 363 )
6X-RAY DIFFRACTION6chain 'B' and (resid 364 through 377 )
7X-RAY DIFFRACTION7chain 'B' and (resid 378 through 390 )
8X-RAY DIFFRACTION8chain 'B' and (resid 391 through 401 )
9X-RAY DIFFRACTION9chain 'B' and (resid 402 through 409 )
10X-RAY DIFFRACTION10chain 'B' and (resid 410 through 415 )
11X-RAY DIFFRACTION11chain 'B' and (resid 416 through 438 )
12X-RAY DIFFRACTION12chain 'B' and (resid 439 through 443 )
13X-RAY DIFFRACTION13chain 'B' and (resid 444 through 458 )
14X-RAY DIFFRACTION14chain 'B' and (resid 459 through 474 )
15X-RAY DIFFRACTION15chain 'C' and (resid 344 through 384 )
16X-RAY DIFFRACTION16chain 'C' and (resid 385 through 401 )
17X-RAY DIFFRACTION17chain 'C' and (resid 402 through 415 )
18X-RAY DIFFRACTION18chain 'C' and (resid 416 through 458 )
19X-RAY DIFFRACTION19chain 'C' and (resid 459 through 475 )
20X-RAY DIFFRACTION20chain 'D' and (resid 344 through 384 )
21X-RAY DIFFRACTION21chain 'D' and (resid 385 through 401 )
22X-RAY DIFFRACTION22chain 'D' and (resid 402 through 410 )
23X-RAY DIFFRACTION23chain 'D' and (resid 411 through 415 )
24X-RAY DIFFRACTION24chain 'D' and (resid 416 through 438 )
25X-RAY DIFFRACTION25chain 'D' and (resid 439 through 457 )
26X-RAY DIFFRACTION26chain 'D' and (resid 458 through 475 )
27X-RAY DIFFRACTION27chain 'E' and (resid 342 through 401 )
28X-RAY DIFFRACTION28chain 'E' and (resid 402 through 415 )
29X-RAY DIFFRACTION29chain 'E' and (resid 416 through 458 )
30X-RAY DIFFRACTION30chain 'E' and (resid 459 through 474 )
31X-RAY DIFFRACTION31chain 'F' and (resid 344 through 372 )
32X-RAY DIFFRACTION32chain 'F' and (resid 373 through 384 )
33X-RAY DIFFRACTION33chain 'F' and (resid 385 through 390 )
34X-RAY DIFFRACTION34chain 'F' and (resid 391 through 401 )
35X-RAY DIFFRACTION35chain 'F' and (resid 402 through 415 )
36X-RAY DIFFRACTION36chain 'F' and (resid 416 through 425 )
37X-RAY DIFFRACTION37chain 'F' and (resid 426 through 458 )
38X-RAY DIFFRACTION38chain 'F' and (resid 459 through 475 )
39X-RAY DIFFRACTION39chain 'G' and (resid 344 through 363 )
40X-RAY DIFFRACTION40chain 'G' and (resid 364 through 401 )
41X-RAY DIFFRACTION41chain 'G' and (resid 402 through 425 )
42X-RAY DIFFRACTION42chain 'G' and (resid 426 through 458 )
43X-RAY DIFFRACTION43chain 'G' and (resid 459 through 473 )

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