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- PDB-8xfd: Crystal structure of pyruvate kinase tetramer in complex with all... -

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Basic information

Entry
Database: PDB / ID: 8xfd
TitleCrystal structure of pyruvate kinase tetramer in complex with allosteric activator, Mitapivat (MTPV, AG-348)
ComponentsIsoform L-type of Pyruvate kinase PKLR
KeywordsTRANSFERASE / pyruvate kinase / allosteric activator / Mitapivat / AG-348
Function / homology
Function and homology information


pyruvate kinase complex / pyruvate biosynthetic process / SARS-CoV-1-host interactions / ChREBP activates metabolic gene expression / pyruvate kinase / pyruvate kinase activity / Pyruvate metabolism / monosaccharide binding / response to metal ion / Glycolysis ...pyruvate kinase complex / pyruvate biosynthetic process / SARS-CoV-1-host interactions / ChREBP activates metabolic gene expression / pyruvate kinase / pyruvate kinase activity / Pyruvate metabolism / monosaccharide binding / response to metal ion / Glycolysis / response to ATP / potassium ion binding / Regulation of gene expression in beta cells / response to glucose / response to cAMP / cellular response to epinephrine stimulus / response to nutrient / glycolytic process / cellular response to insulin stimulus / kinase activity / response to hypoxia / magnesium ion binding / extracellular exosome / ATP binding / cytosol / cytoplasm
Similarity search - Function
Pyruvate kinase, active site / Pyruvate kinase active site signature. / Pyruvate kinase / Pyruvate kinase, barrel / Pyruvate kinase, insert domain superfamily / Pyruvate kinase, barrel domain / Pyruvate kinase, C-terminal / Pyruvate kinase, C-terminal domain superfamily / Pyruvate kinase, alpha/beta domain / Pyruvate kinase-like, insert domain superfamily ...Pyruvate kinase, active site / Pyruvate kinase active site signature. / Pyruvate kinase / Pyruvate kinase, barrel / Pyruvate kinase, insert domain superfamily / Pyruvate kinase, barrel domain / Pyruvate kinase, C-terminal / Pyruvate kinase, C-terminal domain superfamily / Pyruvate kinase, alpha/beta domain / Pyruvate kinase-like, insert domain superfamily / Pyruvate kinase-like domain superfamily / Pyruvate/Phosphoenolpyruvate kinase-like domain superfamily
Similarity search - Domain/homology
1,6-di-O-phosphono-beta-D-fructofuranose / : / Pyruvate kinase PKLR
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.1 Å
AuthorsSun, R. / Achour, A.
Funding support1items
OrganizationGrant numberCountry
Not funded
CitationJournal: Crystals / Year: 2024
Title: High Resolution Crystal Structure of the Pyruvate Kinase Tetramer in Complex with the Allosteric Activator Mitapivat/AG-348
Authors: Han, X. / Sandalova, T. / Zhang, C. / Mardinoglu, A. / Achour, A. / Sun, R.
History
DepositionDec 13, 2023Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0May 15, 2024Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Isoform L-type of Pyruvate kinase PKLR
B: Isoform L-type of Pyruvate kinase PKLR
C: Isoform L-type of Pyruvate kinase PKLR
D: Isoform L-type of Pyruvate kinase PKLR
hetero molecules


Theoretical massNumber of molelcules
Total (without water)236,61514
Polymers234,2574
Non-polymers2,35910
Water15,961886
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)84.930, 86.962, 91.554
Angle α, β, γ (deg.)76.780, 66.880, 80.220
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 24 through 134 or resid 140 through 199 or resid 202 through 551))
d_2ens_1(chain "B" and (resid 24 through 134 or resid 140 through 199 or resid 202 through 551))
d_3ens_1(chain "C" and (resid 24 through 134 or resid 140 through 551))
d_4ens_1(chain "D" and (resid 24 through 134 or resid 140 through 199 or resid 202 through 551))

NCS domain segments:

Ens-ID: ens_1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
d_11GLNGLNLEULEUAA24 - 13426 - 136
d_12SERSERGLYGLYAA140 - 199142 - 201
d_13GLYGLYILEILEAA202 - 540204 - 542
d_14MGMGMGMGAE601
d_15FBPFBPFBPFBPAF602
d_21GLNGLNLEULEUBB24 - 13426 - 136
d_22SERSERGLYGLYBB140 - 199142 - 201
d_23GLYGLYILEILEBB202 - 540204 - 542
d_24MGMGMGMGBG601
d_25FBPFBPFBPFBPBH602
d_31GLNGLNLEULEUCC24 - 13426 - 136
d_32SERSERILEILECC140 - 540142 - 542
d_33MGMGMGMGCJ601
d_34FBPFBPFBPFBPCK602
d_41GLNGLNLEULEUDD24 - 13426 - 136
d_42SERSERGLYGLYDD140 - 199142 - 201
d_43GLYGLYILEILEDD202 - 540204 - 542
d_44MGMGMGMGDL601
d_45FBPFBPFBPFBPDM602

NCS oper:
IDCodeMatrixVector
1given(-0.478615601668, -0.739065009867, 0.474035881585), (-0.761549487357, 0.0807177066945, -0.643060673756), (0.437000553942, -0.668780653889, -0.601467333143)12.7309671947, 31.9125162745, 38.9859807156
2given(-0.185761493484, 0.869907660122, 0.456895316675), (0.849742914247, -0.091260358623, 0.519238410204), (0.493385900919, 0.484698060451, -0.722245209724)6.97902378361, -29.3272866165, 40.8505531515
3given(-0.313329131558, -0.0601518815311, -0.94773762533), (-0.17004752609, -0.978307884475, 0.118311123928), (-0.934295827984, 0.198230760283, 0.296303681195)50.5208059769, 0.516456954915, 35.654183956

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Components

#1: Protein
Isoform L-type of Pyruvate kinase PKLR / Pyruvate kinase 1 / Pyruvate kinase isozymes L/R / R-type/L-type pyruvate kinase / Red cell/liver ...Pyruvate kinase 1 / Pyruvate kinase isozymes L/R / R-type/L-type pyruvate kinase / Red cell/liver pyruvate kinase


Mass: 58564.160 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: PKLR, PK1, PKL / Production host: Escherichia coli (E. coli) / References: UniProt: P30613, pyruvate kinase
#2: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#3: Sugar
ChemComp-FBP / 1,6-di-O-phosphono-beta-D-fructofuranose / BETA-FRUCTOSE-1,6-DIPHOSPHATE / FRUCTOSE-1,6-BISPHOSPHATE / 1,6-di-O-phosphono-beta-D-fructose / 1,6-di-O-phosphono-D-fructose / 1,6-di-O-phosphono-fructose


Type: D-saccharide, beta linking / Mass: 340.116 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C6H14O12P2
IdentifierTypeProgram
b-D-Fruf1PO36PO3IUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
#4: Chemical ChemComp-WV2 / mitapivat / N-{4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl}quinoline-8-sulfonamide


Mass: 450.553 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Formula: C24H26N4O3S
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 886 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestN

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.32 Å3/Da / Density % sol: 47 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 7
Details: 0.2M Magnesium formate dihydrate, 20% w/v Polyethylene glycol 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID30B / Wavelength: 0.9655 Å
DetectorType: DECTRIS PILATUS3 2M / Detector: PIXEL / Date: Nov 17, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9655 Å / Relative weight: 1
ReflectionResolution: 2.1→84.32 Å / Num. obs: 131759 / % possible obs: 96.6 % / Redundancy: 2 % / Biso Wilson estimate: 20.73 Å2 / CC1/2: 0.965 / Rmerge(I) obs: 0.054 / Rpim(I) all: 0.054 / Rrim(I) all: 0.076 / Χ2: 0.52 / Net I/σ(I): 7.4
Reflection shellResolution: 2.1→2.14 Å / Rmerge(I) obs: 0.102 / Mean I/σ(I) obs: 4.6 / Num. unique obs: 6456 / CC1/2: 0.963 / Rpim(I) all: 0.102 / Rrim(I) all: 0.145 / Χ2: 0.54 / % possible all: 94.8

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
autoPROCdata processing
autoPROCdata reduction
Aimlessdata scaling
PHASERphasing
Cootmodel building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.1→54.43 Å / SU ML: 0.2859 / Cross valid method: FREE R-VALUE / σ(F): 1.98 / Phase error: 29.4174
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2653 6502 4.94 %
Rwork0.2317 125103 -
obs0.2333 131605 96.5 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 30.32 Å2
Refinement stepCycle: LAST / Resolution: 2.1→54.43 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms15587 0 148 886 16621
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.008415990
X-RAY DIFFRACTIONf_angle_d121697
X-RAY DIFFRACTIONf_chiral_restr0.05682525
X-RAY DIFFRACTIONf_plane_restr0.022871
X-RAY DIFFRACTIONf_dihedral_angle_d23.112352
Refine LS restraints NCS
Ens-IDDom-IDAsym-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AAX-RAY DIFFRACTIONTorsion NCS1.55226141995
ens_1d_3AAX-RAY DIFFRACTIONTorsion NCS1.93822645314
ens_1d_4AAX-RAY DIFFRACTIONTorsion NCS2.07654377599
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.1-2.120.31352230.26464165X-RAY DIFFRACTION95.14
2.12-2.150.32362010.24824017X-RAY DIFFRACTION95.02
2.15-2.180.30362320.25314232X-RAY DIFFRACTION95.06
2.18-2.20.2971900.24484037X-RAY DIFFRACTION95.96
2.2-2.230.28252170.24674191X-RAY DIFFRACTION95.54
2.23-2.260.29052220.25124059X-RAY DIFFRACTION93.92
2.26-2.290.29622380.2534118X-RAY DIFFRACTION95.69
2.29-2.330.35611960.24644118X-RAY DIFFRACTION96.19
2.33-2.370.29652130.24634124X-RAY DIFFRACTION94.9
2.37-2.40.28872000.24214108X-RAY DIFFRACTION95.12
2.4-2.450.29922200.24354117X-RAY DIFFRACTION96.08
2.45-2.490.29492050.24684153X-RAY DIFFRACTION94.9
2.49-2.540.31272020.25334077X-RAY DIFFRACTION94.88
2.54-2.590.29531830.25384226X-RAY DIFFRACTION96.92
2.59-2.650.30662170.25254262X-RAY DIFFRACTION97.1
2.65-2.710.30132160.25624095X-RAY DIFFRACTION95.86
2.71-2.780.28242310.2514181X-RAY DIFFRACTION96.67
2.78-2.850.30042230.24654210X-RAY DIFFRACTION97.51
2.85-2.930.2562470.24354174X-RAY DIFFRACTION97.25
2.93-3.030.29272010.2424202X-RAY DIFFRACTION97.58
3.03-3.140.30842300.25044208X-RAY DIFFRACTION97.39
3.14-3.260.28222030.25154241X-RAY DIFFRACTION97.2
3.26-3.410.26462210.23934186X-RAY DIFFRACTION97.26
3.41-3.590.24732550.21814176X-RAY DIFFRACTION97.64
3.59-3.820.25772350.22424243X-RAY DIFFRACTION98.18
3.82-4.110.23221920.21514269X-RAY DIFFRACTION98.13
4.11-4.520.19712090.19994238X-RAY DIFFRACTION98.38
4.52-5.180.22332350.2024218X-RAY DIFFRACTION98.37
5.18-6.520.25892260.21944273X-RAY DIFFRACTION98.25
6.52-54.430.17852190.1854185X-RAY DIFFRACTION97.22
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)
10.2260249165280.094465424158-0.4438412245970.845692259008-0.1005987954192.13924728211-0.00309959610623-0.004308105057930.10223015413-0.0385557586392-0.0884023280237-0.160913088306-0.1335710333450.2901649801740.09067879581690.17087177267-0.0110490461993-0.02742107753680.3907877127510.1356278516920.24569360304412.59920.582-0.486
23.32614463319-0.879720795074-1.782217483534.141996492451.177688708066.044100328870.09998959694170.1997364243851.07934473101-0.6283680315130.0438739773002-0.430436149786-1.189204397250.650176863617-0.1525839773250.377788644631-0.143231425528-0.07177925593330.3638935450290.1065008969350.604745155314-21.32624.251-3.811
35.202347096841.06232489726-0.8522822111575.83860769879-0.008581521860384.79001377508-0.05393357235390.2104080343070.622882902147-0.030709381183-0.05379908159520.164641617953-0.4019612740740.05474314585850.09053752626320.151895563589-0.0157369039368-0.04652224486990.169112732365-0.02826036789530.231173527114-25.65916.3251.832
48.35593378678-1.32768764654-7.734016264973.969414211373.722595793978.81275626333-0.9703661908260.177324657407-0.830035502563-0.08635735611340.158208879437-0.252380584360.907958977656-0.1418902394460.8049432478960.293511412347-0.04384062930630.05379010888490.4421905754770.05285940558110.557485646537-13.6253.426-5.954
52.148360651482.23878331135-0.4571103215485.4191366914-2.375625685275.71623398034-0.1128310215130.635300580377-0.0258665483132-0.3721239874430.1204101817520.325349064270.219401487556-0.26288078181-0.0002182033064130.1486949562190.0487963348608-0.017780726240.255353323138-0.01119442107430.170023024878-1.2116.162-10.471
61.302219587060.0956074651740.0380617550461.921592692890.1724050320061.31471195341-0.009485367898110.107943514813-0.0055083483302-0.0940785493302-0.132098622653-0.1294432935110.01229538028620.2949011712650.1216286994110.1142757110250.009889568442459.42437411862E-50.2216345862230.04189508131230.09259230310014.60613.5676.873
78.91215668842-7.38768736829-9.729393850338.003232468868.250103836472.00303955192-0.4726781686210.284962038697-0.1546376607930.6797331338570.01140260102060.4208729195580.729009736804-0.3741767304990.4381785522920.300753700296-0.0922710920447-0.05779631214650.4060131920320.1109834142610.27842885716920.844-6.9759.268
83.35872318052-1.23981373710.6389885606242.017012867410.4640220713220.4514254882870.0636835942210.03385627452720.0546994479138-0.007117794252840.1465471095790.104527626994-0.0807349721617-0.456618010133-0.1892153560590.13223982474-0.0090228382624-0.01236792049610.2891912723620.07560235914150.13876574637825.8816.922-1.488
92.118411492220.1933257315430.5589023586757.86333654244-0.097135984331.78272703854-0.08784700612670.124119381160.187462461038-0.0288560694510.17004372418-0.191011355724-0.1320608477050.0952451137021-0.08086012190420.09714587931780.01514899041130.01105013826490.2277517937510.009990663081260.088765353404133.158.177-0.284
101.19204809087-0.50271575044-0.9635524402541.838315443431.044495072321.623094314860.0610013930224-0.02853031280860.08695710193020.117648492887-0.1237412095410.222309716622-0.2564323609490.03725614710460.06872892364810.300733931891-0.0213148216389-0.03021690967490.127177944363-0.005617631222550.122649756824-9.74223.22931.105
111.85276778898-1.216197259940.09253195498712.96109405303-1.222514010671.53007065732-0.195690620740.5341449345130.571070113719-0.312321371028-0.0864964697106-0.206806951757-0.4336340215840.05816520930260.2887865147410.615711958974-0.237920851487-0.1065197552090.4730998945140.06176767634430.3824397553194.37253.45818.478
124.94853628061-1.728146176240.0381512358042.92172644832-1.711109668142.403894510530.03163117156370.2543816782530.47017233118-0.554682273531-0.0441921124659-0.267118065033-0.2329697724680.1362882069150.000232068831410.726270088966-0.2414299417890.0382717837290.3652649682380.005055238099910.32672565735415.18451.40417.015
132.000426503810.505064744438-8.401522718390.663436393604-1.993011605242.000420226650.437642404317-0.494643592210.6213839641880.224952606921-0.177071652294-0.486913916228-0.5708759814710.303327340284-0.2593864574590.820605464435-0.3879595000020.1276657476610.7103975551020.01414383314240.530107349229.58147.04636.509
140.7971775607390.5996235609820.3731972833990.4534670107870.2772897432630.1726965551650.0917877344705-0.2185968081120.3276006302680.263091277653-0.0307716457548-0.0675270989689-0.2740363076030.109378644714-0.02431150241550.764183483558-0.555665959138-0.1173898516640.298146239588-0.12488774120.2168933412383.09640.1241.346
150.7811402089020.08184553071090.2620482618930.8049630325090.2517276838921.288093520670.0486338427752-0.09302276245440.04184577934510.214129621985-0.263684856677-0.172576454253-0.4060987101990.3181279107290.1754599685610.247613691129-0.143754027491-0.07937404668150.2531534151390.0500089691810.1761263312742.65925.58926.042
164.163042335510.9003313670444.993754429541.717813888833.107030518688.701983589610.1591653699130.143865948599-0.03948529312980.480401403944-0.155642737685-0.4738355959570.6167956238140.865617624133-0.002153467420710.301051968989-0.0584024139433-0.05113756348590.4308445715720.1451157227870.26146298062312.6277.32836.917
171.10028021876-0.287152369133-0.0629692274913.039846178040.09305180790922.52441929502-0.0342162635629-0.08684240801810.1195425864740.0722473255346-0.0816179435668-0.0467471056748-0.1944079038030.3454578849190.1101490614640.139815478763-0.0535522771414-0.04195560853830.1528199822670.02507720172550.119490674005-4.01813.71146.943
181.64648514812-0.2356221514150.7590214606792.101981913411.477392813515.00057206898-0.117200476994-0.0565074377577-0.06434431370550.0450726962336-0.1761091728350.3156464700010.1048395378350.1926281627940.2906280889570.143863410042-0.03924152091550.02900572083350.1213765742520.03245165752160.206907162348-8.8447.7948.764
190.7060916296210.27580237557-0.3055748966160.29597624869-0.1449571641330.542357993996-0.00939438308598-0.293292081753-0.0247673332470.008968045434580.3519692034980.08479937774380.0464303760638-0.24390778439-0.2533905039340.2222091813620.0437972617673-0.1012618817220.5438272621710.2613315389160.29811282169722.53-22.33457.047
203.036000880870.723710970978-1.8652894981.6065131073-1.277125422851.6262618708-0.09264517844730.176005208223-0.427935506763-0.242736686680.2841252791270.03496454273030.398710411667-0.131523318951-0.1804006780890.567721146548-0.05346913109-0.1550738477320.391113223591-0.07649572585710.87064906690232.545-54.76936.074
214.864878538931.48295149043-0.8745597039085.789327223750.3225024290122.1077893771-0.2181099904350.0676905486793-1.15735423101-0.4093789461770.5834920781750.2492162648540.857891976092-0.510565988215-0.3509713034140.741025900738-0.257904928827-0.1497912365850.5141961993810.1732887955840.73004518681520.799-55.61536.097
222.59824788871-1.0868381424-1.393838539951.59569055685-0.5532567346341.875655733030.1748036553370.205094478049-0.4659134541410.0401523376867-0.0680943952383-0.1425953790640.29499708359-0.309368806228-0.1000616537590.556800081137-0.257256950308-0.1922883902170.4793263869340.07427646808420.65683371303628.169-48.26133.783
233.349068301711.05534275058-5.025216034791.44236859907-2.432470824979.52803002328-0.3345903031270.343490643718-0.0929296017358-0.4296445494940.3751042386160.3340029082460.712258407143-0.834301147583-0.05970758775830.368815697869-0.155693188116-0.1625919594390.5873486975170.2714244653110.52628622087610.877-42.94545.656
240.2976076679650.02275604309780.05176487565440.2058639750030.5227762074651.32347191727-0.08040327243310.042698677052-0.0281017163716-0.0851276110180.09813526402490.2251645809320.15754273789-0.255170373443-0.04069111698670.206439848889-0.281083052613-0.02104667721970.608451109460.5382011541640.4377150488558.867-34.45249.783
250.5927010027551.268209254360.165878402044.70979305162.330045759541.995003883020.0472278766323-0.06764222856960.006122251727520.2500975044160.1588255921550.7800265681870.171981184771-0.808053103037-0.2244178049270.326182296741-0.0652607385815-0.02710167041390.9166233409590.5003920879720.7353845994850.333-33.54254.448
260.5271255292230.128366505593-0.2953743480180.4985860052480.3644347131880.8726703450990.0887437136892-0.03456891947180.0113519551327-0.1716592249130.4462767090770.101438542081-0.0116713921272-0.410335894636-0.2785887071340.199248002942-0.0694853411485-0.1359432718210.4965246064760.3449804358060.2566614438722.991-22.08344.651
271.83309350078-0.9072923897780.6424869561772.23527293204-0.7160951031920.597110951190.00903422218124-0.330965763591-0.06140750824430.0756870350594-0.178700598395-0.1906633917410.02165086868540.3026054771130.1640168932220.1964237195480.005756342824460.007449169512570.4971067658840.2134831248720.3235541773416.605-6.76657.281
281.39543458970.0128080173231-0.08150914994660.856585221091-0.1421276902641.085833592140.07586096194750.0599037077087-0.202841863578-0.2303540150810.1314424275240.07317931888840.367867647897-0.194344218376-0.192880089810.352811474816-0.0781260647662-0.03667932167960.1283543614730.01257130581760.18831249048945.839-22.30727.323
298.960380259771.77419618778-4.331289834196.78513033214-4.88050397794.612093508560.0360250711077-0.752680737479-0.797157057327-0.0648262207424-0.153286127754-0.1153544662390.6448227384310.5282588909420.1455614996970.3278638167090.0135850812708-0.007682936607870.41331261348-0.02401297443640.28091713066561.157-20.07362.832
301.60166561018-0.01225078854940.4861862621543.8270487139-0.04477312074064.30002445560.0503326331728-1.094932216660.1498557202020.626296659484-0.1374126287710.0143319278449-0.362185108074-0.155891367380.1023051707120.331632788813-0.0391303649912-0.01198703769320.655795116267-0.08185578728240.27378589253456.126-8.19462.686
316.694756208011.767684895520.3272793244329.283479981210.996977346226.448745141870.210903564361-0.5504505686830.3058356003730.611015204568-0.135655052682-0.474046835904-0.0839821972210.548252020161-0.06526961203720.138848695647-0.0486409468672-0.06254636461580.221607504644-0.06821859567440.26234301879265.774-8.78940.469
322.1567035541-2.67262895562-1.452832801945.067879033133.358924196413.961425973230.009152897144510.03141984642920.538366690779-0.199011344073-0.130363190773-0.261073043038-0.393231531550.1220345444390.04808005742780.22161936888-0.0305996020615-0.02810109855170.105521107488-0.05027949666170.2267308600260.029-6.30933.119
332.0712223396-0.127005810324-0.2931362715411.63834099487-0.01572290039821.64547064569-0.02987692604-0.05006023226790.0726114453059-0.05048818099380.1619215729090.0568001780560.142013912548-0.200985934808-0.1246734417280.128166183744-0.0279672052047-0.02477778585890.1196033275060.01230724024340.12015729371841.271-15.02137.048
346.567151496476.99802447143-4.269088690659.96022470019-0.09715242117881.999977753210.2578979920520.3049770586590.625008658762-0.2449511413910.2706302979490.8934154782-0.490882303987-0.701287252553-0.5117368313680.1850010816050.03702433741650.01333053493720.4633134341250.1302908831150.26181802068927.446-2.52325.064
353.409475807010.3517198824220.4694320543762.02430867753-1.097974256881.4978848136-0.009749573237150.0666630471756-0.231346977242-0.2122989245250.1149577715350.1200440617990.285342793457-0.213915258323-0.09033417799950.18610963127-0.0428304320289-0.04518593072560.1460127636490.005378749920660.12734483083742.539-9.82112.525
363.106323743860.262215190521-0.4571904843683.920156993970.5360019749572.555022581460.01547154987420.0172449735432-0.480529521267-0.2258268766380.07522977409190.2755471413370.562495718111-0.195767355338-0.04809383404620.252363407926-0.0236032675346-0.04407621966660.1477834888950.05669859032360.20262298273939.184-8.4946.026
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1( CHAIN A AND RESID 24:127 )A24 - 127
2X-RAY DIFFRACTION2( CHAIN A AND RESID 128:146 )A128 - 146
3X-RAY DIFFRACTION3( CHAIN A AND RESID 147:224 )A147 - 224
4X-RAY DIFFRACTION4( CHAIN A AND RESID 225:233 )A225 - 233
5X-RAY DIFFRACTION5( CHAIN A AND RESID 234:265 )A234 - 265
6X-RAY DIFFRACTION6( CHAIN A AND RESID 266:408 )A266 - 408
7X-RAY DIFFRACTION7( CHAIN A AND RESID 409:420 )A409 - 420
8X-RAY DIFFRACTION8( CHAIN A AND RESID 421:499 )A421 - 499
9X-RAY DIFFRACTION9( CHAIN A AND RESID 500:540 )A500 - 540
10X-RAY DIFFRACTION10( CHAIN B AND RESID 24:123 )B24 - 123
11X-RAY DIFFRACTION11( CHAIN B AND RESID 124:145 )B124 - 145
12X-RAY DIFFRACTION12( CHAIN B AND RESID 146:227 )B146 - 227
13X-RAY DIFFRACTION13( CHAIN B AND RESID 228:233 )B228 - 233
14X-RAY DIFFRACTION14( CHAIN B AND RESID 234:272 )B234 - 272
15X-RAY DIFFRACTION15( CHAIN B AND RESID 273:401 )B273 - 401
16X-RAY DIFFRACTION16( CHAIN B AND RESID 402:415 )B402 - 415
17X-RAY DIFFRACTION17( CHAIN B AND RESID 416:498 )B416 - 498
18X-RAY DIFFRACTION18( CHAIN B AND RESID 499:540 )B499 - 540
19X-RAY DIFFRACTION19( CHAIN C AND RESID 24:134 )C24 - 134
20X-RAY DIFFRACTION20( CHAIN C AND RESID 139:154 )C139 - 154
21X-RAY DIFFRACTION21( CHAIN C AND RESID 155:181 )C155 - 181
22X-RAY DIFFRACTION22( CHAIN C AND RESID 182:221 )C182 - 221
23X-RAY DIFFRACTION23( CHAIN C AND RESID 222:240 )C222 - 240
24X-RAY DIFFRACTION24( CHAIN C AND RESID 241:265 )C241 - 265
25X-RAY DIFFRACTION25( CHAIN C AND RESID 266:274 )C266 - 274
26X-RAY DIFFRACTION26( CHAIN C AND RESID 275:409 )C275 - 409
27X-RAY DIFFRACTION27( CHAIN C AND RESID 410:540 )C410 - 540
28X-RAY DIFFRACTION28( CHAIN D AND RESID 24:128 )D24 - 128
29X-RAY DIFFRACTION29( CHAIN D AND RESID 129:145 )D129 - 145
30X-RAY DIFFRACTION30( CHAIN D AND RESID 146:229 )D146 - 229
31X-RAY DIFFRACTION31( CHAIN D AND RESID 230:238 )D230 - 238
32X-RAY DIFFRACTION32( CHAIN D AND RESID 239:273 )D239 - 273
33X-RAY DIFFRACTION33( CHAIN D AND RESID 274:402 )D274 - 402
34X-RAY DIFFRACTION34( CHAIN D AND RESID 403:409 )D403 - 409
35X-RAY DIFFRACTION35( CHAIN D AND RESID 410:511 )D410 - 511
36X-RAY DIFFRACTION36( CHAIN D AND RESID 512:540 )D512 - 540

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