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- PDB-8hmu: Crystal Structure of PKM2 mutant R516C -

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Basic information

Entry
Database: PDB / ID: 8hmu
TitleCrystal Structure of PKM2 mutant R516C
ComponentsPyruvate kinase PKM
KeywordsTRANSFERASE / PKM2 / Hydroxylation / Kinase / Glycolysis / Tumour Promoting / Warburg Effect
Function / homology
Function and homology information


pyruvate kinase / pyruvate kinase activity / programmed cell death / Pyruvate metabolism / positive regulation of cytoplasmic translation / canonical glycolysis / Glycolysis / positive regulation of sprouting angiogenesis / potassium ion binding / rough endoplasmic reticulum ...pyruvate kinase / pyruvate kinase activity / programmed cell death / Pyruvate metabolism / positive regulation of cytoplasmic translation / canonical glycolysis / Glycolysis / positive regulation of sprouting angiogenesis / potassium ion binding / rough endoplasmic reticulum / Regulation of pyruvate metabolism / glycolytic process / non-specific protein-tyrosine kinase / cellular response to insulin stimulus / MHC class II protein complex binding / extracellular vesicle / protein tyrosine kinase activity / : / secretory granule lumen / vesicle / ficolin-1-rich granule lumen / transcription coactivator activity / histone H3T11 kinase activity / non-specific serine/threonine protein kinase / cilium / cadherin binding / intracellular membrane-bounded organelle / mRNA binding / Neutrophil degranulation / magnesium ion binding / protein homodimerization activity / positive regulation of transcription by RNA polymerase II / mitochondrion / RNA binding / extracellular exosome / extracellular region / ATP binding / nucleus / 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 / OXALATE ION / PHOSPHATE ION / Pyruvate kinase PKM
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.5 Å
AuthorsUpadhyay, S. / Kumar, A. / Patel, A.K.
Funding support India, 1items
OrganizationGrant numberCountry
Department of Biotechnology (DBT, India)BT/RLF/Re-entry/57/2012 India
CitationJournal: To Be Published
Title: Structural and mechanistic insights into cancer patient-derived mutations in Pyruvate Kinase muscle isoform 2
Authors: Upadhyay, S. / Kumar, A. / Patel, A.K.
History
DepositionDec 5, 2022Deposition site: PDBJ / Processing site: PDBJ
Revision 1.0Jan 11, 2023Provider: repository / Type: Initial release
Revision 1.1May 29, 2024Group: Data collection / Category: chem_comp_atom / chem_comp_bond

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Pyruvate kinase PKM
B: Pyruvate kinase PKM
C: Pyruvate kinase PKM
D: Pyruvate kinase PKM
hetero molecules


Theoretical massNumber of molelcules
Total (without water)244,41640
Polymers240,5374
Non-polymers3,87936
Water4,648258
1
B: Pyruvate kinase PKM
C: Pyruvate kinase PKM
D: Pyruvate kinase PKM
hetero molecules

A: Pyruvate kinase PKM
hetero molecules


Theoretical massNumber of molelcules
Total (without water)244,41640
Polymers240,5374
Non-polymers3,87936
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation3_544-x,y-1/2,-z-1/21
Unit cell
Length a, b, c (Å)105.400, 138.512, 155.614
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Symmetry operation#1: x,y,z
#2: x+1/2,-y+1/2,-z
#3: -x,y+1/2,-z+1/2
#4: -x+1/2,-y,z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and ((resid 14 and (name N or name...
d_2ens_1(chain "B" and (resid 14 through 65 or (resid 66...
d_3ens_1(chain "C" and ((resid 14 and (name N or name...
d_4ens_1(chain "D" and ((resid 14 and (name N or name...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1GLNTHRA1 - 108
d_12ens_1ASNVALA150 - 172
d_13ens_1VALPROA184 - 512
d_14ens_1FBPFBPB
d_15ens_1OXLOXLC
d_21ens_1GLNGLYE1 - 449
d_22ens_1PHEPROE454 - 464
d_23ens_1FBPFBPF
d_24ens_1OXLOXLG
d_31ens_1GLNTHRM2 - 109
d_32ens_1ASNVALM151 - 173
d_33ens_1VALGLYM185 - 502
d_34ens_1PHEPROM507 - 517
d_35ens_1FBPFBPN
d_36ens_1OXLOXLO
d_41ens_1GLNTHRS1 - 108
d_42ens_1ASNVALS147 - 169
d_43ens_1VALGLYS181 - 498
d_44ens_1PHEPROS505 - 515
d_45ens_1FBPFBPT
d_46ens_1OXLOXLU

NCS oper:
IDCodeMatrixVector
1given(0.819495024043, 0.468655271472, 0.329833506622), (-0.456319726702, 0.185433397128, 0.870279703459), (0.346699023062, -0.863699422109, 0.365818391633)-14.0626263673, 31.8912034946, 53.0552174878
2given(-0.225342360575, 0.177237290512, -0.958022840742), (-0.181000257138, -0.973811846078, -0.137584139181), (-0.957319031173, 0.142398845818, 0.251521055308)-63.953115306, 54.2465541156, -19.1555653453
3given(0.40922149618, -0.645802802957, 0.644574671203), (0.707333734929, -0.221719595756, -0.67120742568), (0.576382472404, 0.730601916607, 0.366065683936)76.785853166, -25.2510742123, -52.8278878106

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Components

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Protein / Sugars , 2 types, 9 molecules ABCD

#1: Protein
Pyruvate kinase PKM / Cytosolic thyroid hormone-binding protein / CTHBP / Opa-interacting protein 3 / OIP-3 / Pyruvate ...Cytosolic thyroid hormone-binding protein / CTHBP / Opa-interacting protein 3 / OIP-3 / Pyruvate kinase 2/3 / Pyruvate kinase muscle isozyme / Threonine-protein kinase PKM2 / Thyroid hormone-binding protein 1 / THBP1 / Tumor M2-PK / Tyrosine-protein kinase PKM2 / p58


Mass: 60134.195 Da / Num. of mol.: 4 / Mutation: R516C
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: PKM, OIP3, PK2, PK3, PKM2 / Production host: Escherichia coli (E. coli)
References: UniProt: P14618, pyruvate kinase, non-specific serine/threonine protein kinase, non-specific protein-tyrosine kinase
#2: 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.: 5 / Source method: obtained synthetically / Formula: C6H14O12P2 / Feature type: SUBJECT OF INVESTIGATION
IdentifierTypeProgram
b-D-Fruf1PO36PO3IUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0

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Non-polymers , 6 types, 289 molecules

#3: Chemical
ChemComp-OXL / OXALATE ION


Mass: 88.019 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: C2O4 / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C2H6O2 / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical
ChemComp-PO4 / PHOSPHATE ION


Mass: 94.971 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: PO4 / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: Mg / Feature type: SUBJECT OF INVESTIGATION
#7: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O3 / Feature type: SUBJECT OF INVESTIGATION
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 258 / Source method: isolated from a natural source / Formula: H2O

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Details

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: 2.45 Å3/Da / Density % sol: 49.79 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop / pH: 8
Details: 0.2 M Sodium chloride, 0.1 M Tris pH8.0, 20% w/v PEG 6000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: RRCAT INDUS-2 / Beamline: PX-BL21 / Wavelength: 0.9789 Å
DetectorType: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Aug 23, 2022
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9789 Å / Relative weight: 1
ReflectionResolution: 2.5→49.92 Å / Num. obs: 79439 / % possible obs: 100 % / Redundancy: 12.1 % / Biso Wilson estimate: 45.09 Å2 / CC1/2: 0.999 / Net I/σ(I): 17.1
Reflection shellResolution: 2.5→2.55 Å / Num. unique obs: 4471 / CC1/2: 0.934

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Processing

Software
NameVersionClassification
PHENIX1.20.1_4487refinement
XDSdata reduction
Aimlessdata scaling
Cootmodel building
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3GR4

3gr4


Resolution: 2.5→49.92 Å / SU ML: 0.3678 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 31.7373
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2787 3937 5.05 %
Rwork0.2373 73973 -
obs0.2394 77910 98.14 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 56.19 Å2
Refinement stepCycle: LAST / Resolution: 2.5→49.92 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms15024 0 169 258 15451
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.002915393
X-RAY DIFFRACTIONf_angle_d0.548320851
X-RAY DIFFRACTIONf_chiral_restr0.0452435
X-RAY DIFFRACTIONf_plane_restr0.0042711
X-RAY DIFFRACTIONf_dihedral_angle_d4.1542165
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.640741029533
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS0.720205721646
ens_1d_4AX-RAY DIFFRACTIONTorsion NCS0.653465639567
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.5-2.530.37541370.30432632X-RAY DIFFRACTION99.46
2.53-2.560.38691420.30162673X-RAY DIFFRACTION99.54
2.56-2.60.3761350.31512645X-RAY DIFFRACTION99.5
2.6-2.630.38781380.30152644X-RAY DIFFRACTION99.61
2.63-2.670.36871620.30432637X-RAY DIFFRACTION99.4
2.67-2.710.37541370.30212622X-RAY DIFFRACTION99
2.71-2.750.3521410.28562640X-RAY DIFFRACTION99.29
2.75-2.80.34731330.29292626X-RAY DIFFRACTION98.78
2.8-2.840.35951400.30252662X-RAY DIFFRACTION98.87
2.84-2.90.33161420.29822613X-RAY DIFFRACTION98.6
2.9-2.950.38981330.30562624X-RAY DIFFRACTION98.25
2.95-3.010.35791450.29712620X-RAY DIFFRACTION97.53
3.01-3.080.37871340.3112608X-RAY DIFFRACTION97.68
3.08-3.150.37631370.29872596X-RAY DIFFRACTION97.23
3.15-3.230.3581400.28962576X-RAY DIFFRACTION96.83
3.23-3.320.29961470.27012589X-RAY DIFFRACTION96.58
3.32-3.410.33131300.26552625X-RAY DIFFRACTION96.84
3.41-3.520.30331260.25382570X-RAY DIFFRACTION96.15
3.52-3.650.29841440.24192612X-RAY DIFFRACTION97.28
3.65-3.80.26691250.22712638X-RAY DIFFRACTION97.36
3.8-3.970.24141420.22352607X-RAY DIFFRACTION97.07
3.97-4.180.24541470.21012600X-RAY DIFFRACTION96.49
4.18-4.440.23111380.20332644X-RAY DIFFRACTION97.37
4.44-4.780.22871330.17432670X-RAY DIFFRACTION97.9
4.78-5.260.19921570.18822638X-RAY DIFFRACTION97.93
5.26-6.020.25281280.22782745X-RAY DIFFRACTION98.86
6.02-7.580.24311640.21072750X-RAY DIFFRACTION99.59
7.59-49.920.20341600.18092867X-RAY DIFFRACTION99.02
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)
10.4586261507630.670070729383-0.3665646600492.15459859023-0.9235771229151.321696177350.138938364736-0.171199768304-0.05463116067230.1199113946740.1622680798860.131751137402-0.0477477397517-0.0618666624828-0.2998592674180.334585839793-0.0422632599751-0.04776177596550.4230441394280.05820065741480.35594630170514.073688647452.3023590823-25.3532959685
25.13287271036-0.978464713487-0.9646888799243.43908900471-0.3969860288221.400720193140.505084900243-0.487965396382-0.290358127471-0.327683220396-0.566761420521-1.50588764858-0.1958398105520.741455376830.09724324091060.535305454952-0.0272376453832-0.01542747130590.6887083726310.1623643270070.9481025370641.344599616442.8395379864-35.451686397
30.720912811232-0.0938786304049-0.1859805972723.22567589901-0.9847044590231.802188059810.04145791529470.00829145246981-0.149090663297-0.09248977112050.00964891978381-0.3590381243940.1973617227680.141704899404-0.05940606927530.318796661703-0.0177008068368-0.05618715657410.3295554308250.02112272845690.41369302953822.567089313344.7704559554-37.7306860824
43.170633374580.1927502058271.234941633661.19350371690.09668435311361.656575416880.0266493929687-0.219556032558-0.2804559926750.1141431833930.09222734086390.1705613548370.101140726401-0.141562719265-0.0830753538940.3382644675050.009451104316150.01377776395430.437114606770.1332253410610.473969579151-2.1317587293249.383687182-31.6057049752
52.58306643974-0.226071814203-1.159646000562.328559498661.031072848874.267048104310.09989189773750.2281446501120.397851363204-0.0695271639228-0.009418655693820.110272998475-0.543836580976-0.329339128533-0.08939711653270.3827929965640.04832947886150.04966558283870.421861140268-0.08239171499160.44490985552710.260909341312.1746788689-17.682082281
61.89479581767-0.000850830102774-0.6354097718131.09883008311.485251357552.233744024620.00803482990257-0.8340414239390.5089631215270.2350212777060.0733262504225-0.1476605528780.2077500841170.207636645385-0.06763068091420.5246803210470.01238914684370.04924090727440.892304092617-0.2688655618930.48780129447413.761862112515.18924880515.4863876599
75.04430612335-2.800887184530.9304900268111.50927980707-0.7308816207281.835769871190.301747460086-0.967058868661-0.449672716294-0.402449509469-0.027488106807-0.02916499876510.4155184160630.557324574596-0.1875149123750.6988527582170.0438459276609-0.02678248407781.003488710940.107009693760.62202675976825.9414264862-12.56489673813.7988591256
83.14406082716-1.1337790152-1.161937173230.6217635558750.2719968105931.49763568256-0.450290866338-0.997102359490.205739862570.6589910317450.390859371696-0.06518041561160.9474161763410.4944868898520.06443086477630.8914892931730.1450549156460.1086575726191.115316089750.1074321365680.41064068738116.6737829188-7.4573965282520.2354510486
91.60956217902-0.270296363347-0.8116731231431.391552381520.3796515065232.13053189997-0.111872437099-0.7050681738870.01299901967170.2645743404660.04394385819130.0772692219860.09746224052570.1080517726370.06769928497790.3701291581470.005601033896390.0387835818790.56815279758-0.04671070708470.30637818719912.9834714843-0.03229116383624.50805651312
102.64660567441-1.24884054663-0.7322936845121.594918357630.9987033620793.517630082690.03902415818350.0733370077929-0.3067797642740.0952883454975-0.2075241452220.09985578691350.0636357056781-0.3071711403410.2445244092450.34518654707-0.007379391473120.08304789051220.433857471686-0.1049809036130.454022341733-4.318839160788.86328401742-3.9788540441
111.305243829250.0554827571158-2.03876770233.837784566890.0125626969513.04867126270.3351905306720.03894767554860.3582163522810.1707087306690.04573931998020.204463634922-0.412163473668-0.0888558878408-0.4017728476720.424578915964-0.01026596401290.07878454313240.463000909329-0.1724428950050.458498113512-6.4951047196222.75390123185.09508135512
126.85446717848-0.6165384262790.2206470982864.19480434375-0.1140613091781.52492853836-0.0128174241956-0.6347863780240.7403664780370.0267616952371-0.2487026527080.7070489354250.0823308889807-0.009564569345980.2267316023730.4900927254360.06832235520210.1371944174070.441805972667-0.1156962439190.445264945146-10.059289413120.6418297964-4.36694196441
132.05637822482-1.54537810313-0.04891651429672.441782121760.06084270779110.941415424683-0.146205855664-0.0265043320643-0.1167038371220.2962250777520.0987168761710.491116652599-0.0781894721198-0.1254844582720.007383122052770.325110990155-0.00814139966384-0.009430595019580.392350945221-0.08031047830930.536196683848-33.21740642553.89098082264-31.4104850631
141.0779838650.187374134384-0.1254506631250.9401318790290.178089148676.11305138705-0.1778371806720.5130364035920.0192621741485-0.4622925117890.007849359864490.1827622553730.300372185797-0.1611878068720.1258787223510.5864850388940.00586688408903-0.08654981431320.595102767472-0.006996327206980.634141222613-32.878759101610.2773540218-59.8030289586
151.36823926719-0.0252366366438-0.3588006686621.257922064330.9427509581177.26910871990.2431160986330.437430074576-0.18980031-0.3686100236810.152955759587-0.0914745632330.6260383364340.05687571453630.0745782736440.8386569114840.10768680119-0.05387979798170.762366060227-0.01343109895720.674693154516-27.48087788489.35424163492-63.2124690604
161.37030207104-0.194556718811-0.126069643531.44450407232-0.02285403117531.050408079720.01867277568880.07795611144580.145670041426-0.207442892763-0.04814336556360.179445287043-0.114955495612-0.01331007737110.02712702851620.3121262612090.00726384159478-0.007999655638520.294852401153-0.03632393794110.363240845497-25.233172486610.0615033645-40.9400748151
173.8481918427-1.197273195420.05013415518943.064881111450.6529311768942.17819522758-0.15231699078-0.3573630952590.3637759329580.1686930838770.179606528947-0.0342785266712-0.156160417459-0.0532485750103-0.04737509027080.335341177967-0.008181046775730.01942487591910.39451663869-0.08810108074670.434970303625-23.4618919513.0034093714-16.0477995308
182.30699844562-1.32380231136-1.152320346090.8981048533370.0007814932132352.24188507273-0.055506124716-0.162266659834-0.3413946034930.157506141701-0.06238740450470.003531651823150.2534972718920.1859415369930.1149852018230.3394934184650.0266035034016-0.0221569948060.3534272859-0.09294119935770.34556493549232.5162868117-9.96254766778-15.7550146761
190.2558357553890.1255074801910.1528621646713.499708598431.808815402430.827601739559-0.0343449291075-0.05490389298570.09059517613080.3600681024280.0468482988339-0.49468526130.09289225078460.191811826249-0.05658754208140.358906991518-0.0232418843636-0.07812599866480.437532391103-0.00827243916780.53006495668541.993701624718.8579205798-11.5944706378
201.743161612960.00369252946392-0.679345188391.2333251685-0.03071746142211.441360996090.0472613798232-0.09402489577860.168482121730.07494224865770.000439503429717-0.128628283787-0.1006413354930.257405047775-0.09018828150460.240709600669-0.01613569669340.002121344683470.326925674121-0.07220945609070.35791779936931.51167786273.03157797537-20.0498754806
211.84887557744-0.106546646107-0.6897119718511.587194242010.6789369558281.869204306-2.1535669269E-50.131380111183-0.218916268728-0.09835575641550.006786317165350.07494872445550.171858529596-0.05932129172690.09154056896940.316120339282-0.02249211008310.002134856823560.357074433662-0.08532390674910.42223525213723.6730448423-15.550269066-32.0472088578
225.70068793216-0.629939483362.657484306642.839678384091.066410916339.508078037850.3835270553560.383112316965-0.326985649095-0.184596064332-0.3748291339930.1685435220390.4268034353870.0974743621948-0.06062349618170.3207830548940.01328609042680.00620067090760.339077940222-0.140556675550.59229163517721.1163794566-24.0522831701-35.7383928215
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 14 through 98 )AA14 - 981 - 85
22chain 'A' and (resid 99 through 203 )AA99 - 20386 - 190
33chain 'A' and (resid 204 through 370 )AA204 - 370191 - 357
44chain 'A' and (resid 371 through 531 )AA371 - 531358 - 512
55chain 'B' and (resid 14 through 45 )BE14 - 451 - 32
66chain 'B' and (resid 46 through 108 )BE46 - 10833 - 95
77chain 'B' and (resid 109 through 200 )BE109 - 20096 - 135
88chain 'B' and (resid 201 through 235 )BE201 - 235136 - 170
99chain 'B' and (resid 236 through 387 )BE236 - 387171 - 322
1010chain 'B' and (resid 388 through 465 )BE388 - 465323 - 400
1111chain 'B' and (resid 466 through 500 )BE466 - 500401 - 435
1212chain 'B' and (resid 501 through 531 )BE501 - 531436 - 464
1313chain 'C' and (resid 13 through 98 )CM13 - 981 - 86
1414chain 'C' and (resid 99 through 191 )CM99 - 19187 - 179
1515chain 'C' and (resid 192 through 222 )CM192 - 222180 - 210
1616chain 'C' and (resid 223 through 387 )CM223 - 387211 - 375
1717chain 'C' and (resid 388 through 531 )CM388 - 531376 - 517
1818chain 'D' and (resid 14 through 98 )DS14 - 981 - 85
1919chain 'D' and (resid 99 through 222 )DS99 - 22286 - 206
2020chain 'D' and (resid 223 through 387 )DS223 - 387207 - 371
2121chain 'D' and (resid 388 through 500 )DS388 - 500372 - 484
2222chain 'D' and (resid 501 through 531 )DS501 - 531485 - 515

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