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- PDB-9isz: Structure of Clr4 catalyzing K14-ubiquitinated histone H3 K9 meth... -

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Basic information

Entry
Database: PDB / ID: 9isz
TitleStructure of Clr4 catalyzing K14-ubiquitinated histone H3 K9 methylation
Components
  • Histone H3.1/H3.2
  • Histone-lysine N-methyltransferase, H3 lysine-9 specific
  • Ubiquitin
KeywordsGENE REGULATION / Epigenetics / Methylation / Ubiquitination / Crosstalk
Function / homology
Function and homology information


Condensation of Prophase Chromosomes / SIRT1 negatively regulates rRNA expression / Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3 / Assembly of the ORC complex at the origin of replication / CLRC complex / Oxidative Stress Induced Senescence / Factors involved in megakaryocyte development and platelet production / positive regulation of pericentric heterochromatin formation / co-transcriptional gene silencing by RNA interference machinery / Estrogen-dependent gene expression ...Condensation of Prophase Chromosomes / SIRT1 negatively regulates rRNA expression / Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3 / Assembly of the ORC complex at the origin of replication / CLRC complex / Oxidative Stress Induced Senescence / Factors involved in megakaryocyte development and platelet production / positive regulation of pericentric heterochromatin formation / co-transcriptional gene silencing by RNA interference machinery / Estrogen-dependent gene expression / RNA Polymerase I Promoter Escape / siRNA-independent facultative heterochromatin formation / [histone H3]-lysine9 N-trimethyltransferase / nucleolar peripheral inclusion body / subtelomeric heterochromatin / Transcriptional regulation by small RNAs / mating-type region heterochromatin / heterochromatin boundary formation / [histone H3]-N6,N6-dimethyl-lysine9 N-methyltransferase / nuclear polyadenylation-dependent antisense transcript catabolic process / histone H3K9 trimethyltransferase activity / mitotic sister chromatid biorientation / histone H3K9 monomethyltransferase activity / [histone H3]-lysine9 N-methyltransferase / siRNA-mediated pericentric heterochromatin formation / histone H3K9 methyltransferase activity / histone H3K9me2 methyltransferase activity / ubiquitin-modified histone reader activity / chromatin-protein adaptor activity / pericentric heterochromatin formation / protein-lysine N-methyltransferase activity / spindle pole body / hypothalamus gonadotrophin-releasing hormone neuron development / female meiosis I / silent mating-type cassette heterochromatin formation / positive regulation of protein monoubiquitination / fat pad development / mitochondrion transport along microtubule / histone methyltransferase activity / female gonad development / seminiferous tubule development / male meiosis I / positive regulation of intrinsic apoptotic signaling pathway by p53 class mediator / subtelomeric heterochromatin formation / heterochromatin / pericentric heterochromatin / energy homeostasis / regulation of neuron apoptotic process / regulation of proteasomal protein catabolic process / Maturation of protein E / Maturation of protein E / ER Quality Control Compartment (ERQC) / Myoclonic epilepsy of Lafora / FLT3 signaling by CBL mutants / Prevention of phagosomal-lysosomal fusion / IRAK2 mediated activation of TAK1 complex / Alpha-protein kinase 1 signaling pathway / Glycogen synthesis / IRAK1 recruits IKK complex / IRAK1 recruits IKK complex upon TLR7/8 or 9 stimulation / Membrane binding and targetting of GAG proteins / Endosomal Sorting Complex Required For Transport (ESCRT) / Regulation of TBK1, IKKε (IKBKE)-mediated activation of IRF3, IRF7 / Negative regulation of FLT3 / PTK6 Regulates RTKs and Their Effectors AKT1 and DOK1 / Constitutive Signaling by NOTCH1 HD Domain Mutants / Regulation of TBK1, IKKε-mediated activation of IRF3, IRF7 upon TLR3 ligation / IRAK2 mediated activation of TAK1 complex upon TLR7/8 or 9 stimulation / NOTCH2 Activation and Transmission of Signal to the Nucleus / TICAM1,TRAF6-dependent induction of TAK1 complex / TICAM1-dependent activation of IRF3/IRF7 / APC/C:Cdc20 mediated degradation of Cyclin B / Regulation of FZD by ubiquitination / Downregulation of ERBB4 signaling / p75NTR recruits signalling complexes / APC-Cdc20 mediated degradation of Nek2A / InlA-mediated entry of Listeria monocytogenes into host cells / TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling / TRAF6-mediated induction of TAK1 complex within TLR4 complex / Regulation of pyruvate metabolism / Regulation of innate immune responses to cytosolic DNA / NF-kB is activated and signals survival / Downregulation of ERBB2:ERBB3 signaling / Pexophagy / NRIF signals cell death from the nucleus / Regulation of PTEN localization / VLDLR internalisation and degradation / Activated NOTCH1 Transmits Signal to the Nucleus / neuron projection morphogenesis / Synthesis of active ubiquitin: roles of E1 and E2 enzymes / Regulation of BACH1 activity / MAP3K8 (TPL2)-dependent MAPK1/3 activation / regulation of mitochondrial membrane potential / TICAM1, RIP1-mediated IKK complex recruitment / Translesion synthesis by REV1 / Activation of IRF3, IRF7 mediated by TBK1, IKKε (IKBKE) / Translesion synthesis by POLK / InlB-mediated entry of Listeria monocytogenes into host cell / Downregulation of TGF-beta receptor signaling / Josephin domain DUBs
Similarity search - Function
Histone H3-K9 methyltransferase / : / Pre-SET motif / Pre-SET domain / Pre-SET domain profile. / N-terminal to some SET domains / Chromo domain, conserved site / Chromo domain signature. / Chromo domain / Chromo (CHRromatin Organisation MOdifier) domain ...Histone H3-K9 methyltransferase / : / Pre-SET motif / Pre-SET domain / Pre-SET domain profile. / N-terminal to some SET domains / Chromo domain, conserved site / Chromo domain signature. / Chromo domain / Chromo (CHRromatin Organisation MOdifier) domain / Chromo and chromo shadow domain profile. / Cysteine-rich motif following a subset of SET domains / Post-SET domain / Post-SET domain profile. / Chromo/chromo shadow domain / Chromatin organization modifier domain / Chromo-like domain superfamily / SET (Su(var)3-9, Enhancer-of-zeste, Trithorax) domain / SET domain / SET domain superfamily / SET domain profile. / SET domain / Histone H3 signature 1. / Histone H3 signature 2. / Histone H3 / Histone H3/CENP-A / : / Ubiquitin domain signature. / Histone H2A/H2B/H3 / Ubiquitin conserved site / Core histone H2A/H2B/H3/H4 / Ubiquitin domain / Histone-fold / Ubiquitin family / Ubiquitin homologues / Ubiquitin domain profile. / Ubiquitin-like domain / Ubiquitin-like domain superfamily
Similarity search - Domain/homology
S-ADENOSYLMETHIONINE / Histone-lysine N-methyltransferase, H3 lysine-9 specific / Histone H3.1/H3.2 / Polyubiquitin-B
Similarity search - Component
Biological speciesSchizosaccharomyces pombe 972h- (yeast)
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.6 Å
AuthorsDu, Y.X. / Liu, L.
Funding support China, 1items
OrganizationGrant numberCountry
National Natural Science Foundation of China (NSFC)22137005 China
CitationJournal: To Be Published
Title: Mechanism of Histone H3K9 Methyltransferase Clr4 Regulation by Proximal H3K14 Ubiquitination in-cis
Authors: Du, Y.X. / Liu, L.
History
DepositionJul 19, 2024Deposition site: PDBJ / Processing site: PDBC
Revision 1.0Apr 30, 2025Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Histone-lysine N-methyltransferase, H3 lysine-9 specific
B: Histone-lysine N-methyltransferase, H3 lysine-9 specific
C: Ubiquitin
D: Ubiquitin
E: Histone H3.1/H3.2
F: Histone H3.1/H3.2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)90,33616
Polymers89,0166
Non-polymers1,32010
Water95553
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area10300 Å2
ΔGint-42 kcal/mol
Surface area32510 Å2
MethodPISA
2
A: Histone-lysine N-methyltransferase, H3 lysine-9 specific
C: Ubiquitin
E: Histone H3.1/H3.2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,1688
Polymers44,5083
Non-polymers6605
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3440 Å2
ΔGint-20 kcal/mol
Surface area17580 Å2
MethodPISA
3
B: Histone-lysine N-methyltransferase, H3 lysine-9 specific
D: Ubiquitin
F: Histone H3.1/H3.2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,1688
Polymers44,5083
Non-polymers6605
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3890 Å2
ΔGint-18 kcal/mol
Surface area17900 Å2
MethodPISA
Unit cell
Length a, b, c (Å)53.175, 105.977, 131.906
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

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Components

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Protein , 2 types, 4 molecules ABCD

#1: Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific / Cryptic loci regulator 4 / Histone H3-K9 methyltransferase / H3-K9-HMTase / HKMT / Lysine N- ...Cryptic loci regulator 4 / Histone H3-K9 methyltransferase / H3-K9-HMTase / HKMT / Lysine N-methyltransferase 1 / Protein lysine methyltransferase clr4 / PKMT


Mass: 34078.062 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Schizosaccharomyces pombe 972h- (yeast)
Strain: 972 / ATCC 24843 / Gene: clr4, kmt1, SPBC428.08c / Plasmid: pGEX-6p-1 / Production host: Escherichia coli (E. coli)
References: UniProt: O60016, [histone H3]-lysine9 N-trimethyltransferase, [histone H3]-N6,N6-dimethyl-lysine9 N-methyltransferase, [histone H3]-lysine9 N-methyltransferase
#2: Protein Ubiquitin


Mass: 8622.922 Da / Num. of mol.: 2 / Mutation: G76C
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: UBB / Plasmid: pGEX-6p-1 / Production host: Escherichia coli (E. coli) / References: UniProt: P0CG47

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Protein/peptide , 1 types, 2 molecules EF

#3: Protein/peptide Histone H3.1/H3.2


Mass: 1807.084 Da / Num. of mol.: 2 / Mutation: K10L,K15C / Source method: obtained synthetically / Source: (synth.) Schizosaccharomyces pombe 972h- (yeast) / References: UniProt: P09988

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Non-polymers , 3 types, 63 molecules

#4: Chemical ChemComp-SAM / S-ADENOSYLMETHIONINE


Mass: 398.437 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C15H22N6O5S / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical
ChemComp-ZN / ZINC ION


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


Mass: 18.015 Da / Num. of mol.: 53 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY
Has protein modificationY

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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: 2.1 Å3/Da / Density % sol: 41.44 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop
Details: 18-20% PEG1000, 100 mM Imidazole, 200 mM CaAc2, pH 7.0

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRF / Beamline: BL02U1 / Wavelength: 0.979176 Å
DetectorType: DECTRIS EIGER2 S 9M / Detector: PIXEL / Date: May 22, 2023
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.979176 Å / Relative weight: 1
ReflectionResolution: 2.44→82.62 Å / Num. obs: 28662 / % possible obs: 99.9 % / Redundancy: 11.6 % / Biso Wilson estimate: 49.1 Å2 / CC1/2: 0.996 / Rmerge(I) obs: 0.186 / Rpim(I) all: 0.058 / Rrim(I) all: 0.196 / Net I/σ(I): 8.8
Reflection shellResolution: 2.44→2.57 Å / Redundancy: 12.2 % / Num. unique obs: 4108 / CC1/2: 0.884 / % possible all: 99.9

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Processing

Software
NameVersionClassification
PHENIX1.19.2_4158refinement
autoPROCdata reduction
Aimless0.7.4data scaling
PHENIX1.19.2_4158phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6BP4,1UBQ

6bp4

1ubq


Resolution: 2.6→37.53 Å / SU ML: 0.2729 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 34.896
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2739 1175 4.98 %
Rwork0.2309 22420 -
obs0.2332 23595 99.75 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 71.59 Å2
Refinement stepCycle: LAST / Resolution: 2.6→37.53 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms5880 0 62 53 5995
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00326049
X-RAY DIFFRACTIONf_angle_d0.6058165
X-RAY DIFFRACTIONf_chiral_restr0.0431884
X-RAY DIFFRACTIONf_plane_restr0.00441076
X-RAY DIFFRACTIONf_dihedral_angle_d14.70342272
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.6-2.720.35421480.33442742X-RAY DIFFRACTION99.86
2.72-2.860.34421430.30832767X-RAY DIFFRACTION99.86
2.86-3.040.35881510.28892740X-RAY DIFFRACTION99.62
3.04-3.280.31591250.27142807X-RAY DIFFRACTION99.97
3.28-3.60.25591490.23282766X-RAY DIFFRACTION99.76
3.6-4.130.31481470.22652817X-RAY DIFFRACTION99.8
4.13-5.20.23361620.19252821X-RAY DIFFRACTION99.93
5.2-37.530.23021500.19842960X-RAY DIFFRACTION99.2
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)
10.7683141696640.083606805298-1.227662241241.37233955891-0.4858326868462.0497333950.09622616044970.2008128251420.0607718900692-0.182562732506-0.1644628644720.296690356410.147130577811-0.7736449226640.04572081116180.319058401069-0.01942490004390.0415543475480.953857133987-0.08102632703980.3686324923744.3775467112-0.7811922449136.89426846299
25.833798932791.309900343172.942126295771.860643984250.8220579925416.03186287262-0.0544752759111-0.469209706131-0.5426252221570.156739425647-0.244246821909-0.246122773881.005445849950.7641067933890.1049532709160.2994382138710.1340739576840.01122386532961.012837380360.1185065304980.43197534947217.0703660335-10.017986162821.011506168
35.42714073722-1.48790399523-0.2216508201524.889189570770.57050277882.995670284710.3347831921930.18882623142-0.493654508556-0.0288956490822-0.1953662074750.5199224021980.742943005865-0.929378164223-0.05587256079830.430186484589-0.07250183371780.06603094458480.914081384626-0.0500721873860.289922856931-0.328551092842-10.97435395414.2668451364
40.871726593027-1.28503488773-0.8495947101073.280544175010.03493129478147.826775227160.0251113256704-0.12847825185-0.623251210352-0.4909553787990.1214682922710.4766041988081.84924542581-0.2055718151330.09665024703350.52460405334-0.06331223674890.1008900218940.819859972132-0.02021553132120.3316380601866.72101093619-18.55208058412.0475470038
54.828630294463.10519353826-1.97074805827.200374844120.8187589623955.108568191860.128324789379-0.216054509643-0.380161721598-0.1955357451770.13093295729-0.780692890860.07266694266350.301675452787-0.1996958806760.315640935277-0.1180324616850.02269377877810.9885523763380.07065575974550.32874578787725.92240122711.74176372485.03292724028
61.498315418930.510582268112-1.980521796593.24451635798-0.8981173130622.63845034585-0.238338053822-0.256852293024-0.247588528022-0.1955383385340.0885718009337-0.6286378991530.5438677946180.5429687057470.147350763680.234499282534-0.117304945859-0.05554266423191.008802887780.1629325937230.330319547519.143971945810.025464746519.2701374706
74.194129518370.1600438902052.538201773252.65156937202-2.221587853613.5706355312-0.0116202853559-0.3090892490180.213477012434-0.07873057813230.2972809341390.562164923672-0.356717870854-0.670357746799-0.23223244650.2531734398450.09083250963620.01797197769941.154296102040.02009253853530.45811000326-11.361245431314.993185090122.000072856
83.745354548650.4345387107930.4608414850131.0854738890.5600861120471.21478706485-0.2326928547190.3420400247370.241159766663-0.2301769942320.07074607423350.0856667179651-0.350528201752-0.445972534788-0.02893361580490.1598062773190.0526142103242-0.05235848658760.9603440625120.1106815865470.2822896026134.2700095234318.346150853912.5452873483
91.34714754302-3.02825173762-0.1780660928676.871315552240.07730202863192.03151890684-0.0437416205628-0.08322309625970.203833533937-0.156031651416-0.0278766904454-1.64106039354-0.7748149614411.11226925003-0.03000985537630.331071303136-0.234412127951-0.03712663016661.25010784673-0.03722257860820.45181293597222.351027929517.79985119429.7053239085
103.29598235232-0.7233185090522.363881809563.04090782451-1.66864357223.58093542884-0.000980157170008-0.6066497609370.2835889761870.281317552004-0.108529903151-0.0850698406131-0.2101293955320.06886903154490.07808656596760.248513354805-0.0348277942786-0.02316239129810.6226903840340.02332082146040.2735582248218.9065751363219.606049409623.5768054423
113.24848643172-0.1358607339631.457183095995.57061622722-0.02970260423432.427980032080.2538831329740.6351412758171.30917853249-0.300869046057-0.3094098504971.07568440135-0.334103053074-1.257844122140.1217562823670.0454020307861-0.0348134793352-0.03065392697480.7478175371530.07058276860290.6080275144769.5425579688530.613574123314.1720826202
121.008030792050.960720606052-0.1855706038411.11176580773-0.8382400297773.00211702749-0.215288989459-0.6612204250520.6442043105910.920901484745-0.508884016663-0.367500176169-0.4562337060320.04273325936170.7387222338231.00883787081-0.448981285871-0.09796570324571.063843725030.09204445542170.8196754237518.375590878737.020546714323.1295507406
130.423566237839-0.2289316913560.3464862271711.96469892723-0.1203293262936.97646403787-0.579063245509-0.2468085358860.250407191794-0.151074799946-0.4239942472720.4709492872030.670999178997-0.7721409967990.8242867210160.347630369816-0.02803822380830.07198907142561.28622979972-0.04477427881560.46110845747-2.66529239708-3.0050959897248.8317137818
142.724649056621.30931383974-0.7820229091026.60799861789-1.456611441359.17785955391-0.242918545056-0.829343405766-0.5362215544570.0254925112653-0.367613920811-0.1288303266661.47898114154-0.6060405908320.5837257328180.4570221945380.03650209143550.07172768023741.151043556090.2052874565380.5103185965715.60772493668-8.8620435393852.2901486875
150.4604957278211.260242377531.333283505033.481041698583.318053811928.65717322261-0.05545941601090.242076665845-0.1940219952630.004325848658250.560337429815-0.6502082615771.01958857761.86131521907-0.2380241753790.327724670637-0.028722658962-0.04671511911091.142910019130.03269516860830.21578340479312.8397821933-1.9821826116747.5128012538
165.50033818471-0.963296909203-3.325136291362.321940663081.058721377832.894374822580.284800643530.8770830934950.193701755664-0.128243436301-0.436646029686-0.1057716936-1.681863007560.3646513399930.2008791079540.692801530358-0.0603360853363-0.1542561636411.104825075480.1113235553740.3382677865867.45156676435.611677176351.6647838806
173.82022285141-1.38058657647-3.296951820751.868526041762.467671593496.34398089536-0.2610014484260.605953966358-0.3166889203850.0780841703867-0.04953231550890.1329864753350.449528764943-0.08512146233920.4194563290390.216653893798-0.0946726153350.07027384577791.102363028820.02565994033660.1735718066652.88526940643-5.00080108843.3477654213
182.015869034361.482353507881.389508001297.050145709484.536816668227.70146095542-0.165303290136-1.96179668579-1.22671571782-0.6601893231060.484725758514-1.55095655494-0.452881349762.95013465923-0.3591527799261.06354967944-0.03810319081230.1904916178011.65743982575-0.07133507428470.9122007348727.95831098116-17.865127296837.190491983
191.182309268660.4896083899580.01304285078060.519023798022-0.3529888458090.875611453451-0.012123412303-0.124742294021-0.05594447434060.156701902825-0.1294298346380.009568004801510.331423405282-0.05862965204540.1049378549360.385871970485-0.09902852807320.1158894880811.348282458450.05350330705560.211997781309-11.78855419492.229046579546.465229074
206.357518946463.443973863051.299419748817.24044382726-2.800850386142.00021953583-0.182746585202-0.8529138668040.2963770834240.543813168274-0.3186585803760.223478532623-0.73163643436-1.286729077670.5758555002430.486784681427-0.113358888653-0.03784153187531.5264492421-0.2343706424560.36937440241-1.26307565810.709950316543.7035815059
211.373710627270.8717501783-0.5123995154420.606646622475-0.3136425290090.1962280374320.0591508042747-0.2559220524210.08228556354050.09250859916470.04098953389820.4870590920570.134711369866-0.261628491537-0.01117307633970.196352817984-0.1040145586770.07207639630081.835612276890.03420695193890.531035956358-17.79078754934.8872783946447.5903132678
220.5313959048861.88515660391.130376077919.155069769830.0903091185938.654508079450.6969276137091.488373863660.3983371159790.276165562365-0.04383566557910.322627897824-0.288836745921-0.0795714272326-0.6237180135180.4458200278760.1850989943540.06157203261211.41729778502-0.06297361143850.624567499437-16.349346747613.343997345246.8315274877
237.76947978481-1.91342077024-0.7370076295456.99103908882-0.003020959005411.99847900539-0.150037095606-1.840936208361.524567849270.593912528160.822341359639-0.51322203767-1.021084566910.0760065188043-1.074124009240.2556915990490.03200371942070.04198817865691.01632055559-0.05205705523360.492810129131-12.413067198716.348096875740.1420332611
244.40567408492.51134132496-0.9581439835351.44939186421-0.6394311315220.6714870958420.159230077283-0.1927148546450.872858986210.04032854229790.4039571847410.7383459509770.128177092802-0.326153733474-0.01328543299220.179137848145-0.0404407106931-0.1223941301381.297194592730.00525915886530.740885829888-18.24124469487.5273413750934.1748469162
259.73680814342-1.08488459738-3.930329241283.113973118931.108341055551.73611859811-0.38520007035-1.37593141024-0.7269938385410.4073127136440.6292459582260.2087498712870.1382319251080.532646562527-0.1454409330480.267401282346-0.0506416621810.1154397619711.4040472051-0.02227162285780.590796297454-18.5770652369-0.84509259930540.0354100886
263.76571942497-0.7652854844282.046208819974.903250738022.717878544324.51066625109-0.1322950140290.9494588704230.184276458716-0.362059040135-0.137532072546-0.326632803092-1.457176503110.09514697114580.02208317267810.4922231950570.01772528011120.09617703561361.026778486860.09040574892370.254112848382-8.522127435598.7843022386839.3933087023
272.30000242084-2.491872041330.4638982889772.74311310388-0.3574905840342.139969189561.467482191282.470830730132.61136401603-0.510045899880.730278204059-1.230027132870.2532853543433.27912867686-2.094643036640.8026998638930.06771114991790.08475699308052.02361564201-0.191497155031.60220607328-7.6148971142823.625727929433.2140898385
284.57477250447-5.45070280343-0.2625916327387.873575088861.357596640121.16492273629-1.25704312541-1.4760133135-1.93719130550.6054346187490.9982663129270.4538588033161.62571898931-0.7610890872710.08640385323941.15446490951-0.2418640501690.332601510190.9129562786610.1789766777750.7768535983713.70339812016-21.553990431719.6099372964
293.596942828432.47534283952-4.755145990795.51247795819-4.165580776018.498413751210.3922793392340.2318347728641.0783491570.2789716784270.4439028252120.512103688859-0.986586181901-0.91852516993-0.6752200990180.60927083741-0.0560105511445-0.05782246195221.422371769310.005150155831230.5360393249447.817422074628.813705157126.5198631599
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 195 through 266 )AA195 - 2661 - 72
22chain 'A' and (resid 267 through 344 )AA267 - 34473 - 150
33chain 'A' and (resid 345 through 403 )AA345 - 403151 - 207
44chain 'A' and (resid 404 through 490 )AA404 - 490208 - 279
55chain 'B' and (resid 197 through 229 )BH197 - 2294 - 36
66chain 'B' and (resid 230 through 249 )BH230 - 24937 - 56
77chain 'B' and (resid 250 through 294 )BH250 - 29457 - 101
88chain 'B' and (resid 295 through 359 )BH295 - 359102 - 166
99chain 'B' and (resid 360 through 381 )BH360 - 381167 - 186
1010chain 'B' and (resid 382 through 437 )BH382 - 437187 - 242
1111chain 'B' and (resid 438 through 457 )BH438 - 457243 - 262
1212chain 'B' and (resid 458 through 490 )BH458 - 490263 - 286
1313chain 'C' and (resid 1 through 16 )CO1 - 161 - 16
1414chain 'C' and (resid 17 through 44 )CO17 - 4417 - 44
1515chain 'C' and (resid 45 through 56 )CO45 - 5645 - 56
1616chain 'C' and (resid 57 through 65 )CO57 - 6557 - 65
1717chain 'C' and (resid 66 through 71 )CO66 - 7166 - 71
1818chain 'C' and (resid 72 through 76 )CO72 - 7672 - 76
1919chain 'D' and (resid 1 through 6 )DQ1 - 61 - 6
2020chain 'D' and (resid 7 through 11 )DQ7 - 117 - 11
2121chain 'D' and (resid 12 through 22 )DQ12 - 2212 - 22
2222chain 'D' and (resid 23 through 34 )DQ23 - 3423 - 34
2323chain 'D' and (resid 35 through 44 )DQ35 - 4435 - 44
2424chain 'D' and (resid 45 through 55 )DQ45 - 5545 - 55
2525chain 'D' and (resid 56 through 65 )DQ56 - 6556 - 65
2626chain 'D' and (resid 66 through 71 )DQ66 - 7166 - 71
2727chain 'D' and (resid 72 through 76 )DQ72 - 7672 - 76
2828chain 'E' and (resid 6 through 19 )ES6 - 191 - 14
2929chain 'F' and (resid 5 through 19 )FT5 - 191 - 15

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