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- PDB-7m4m: Crystal structure of RBR E3 ligase RNF216 with ubiquitin -

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Basic information

Entry
Database: PDB / ID: 7m4m
TitleCrystal structure of RBR E3 ligase RNF216 with ubiquitin
Components
  • E3 ubiquitin-protein ligase RNF216
  • Ubiquitin
KeywordsLIGASE / E3 ligase / RBR / ubiquitin / Enzyme
Function / homology
Function and homology information


regulation of interferon-beta production / protein linear polyubiquitination / LUBAC complex / regulation of defense response to virus by host / clathrin-coated vesicle / negative regulation of type I interferon production / protein K48-linked ubiquitination / Maturation of protein E / Maturation of protein E / ER Quality Control Compartment (ERQC) ...regulation of interferon-beta production / protein linear polyubiquitination / LUBAC complex / regulation of defense response to virus by host / clathrin-coated vesicle / negative regulation of type I interferon production / protein K48-linked ubiquitination / 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) / IRAK2 mediated activation of TAK1 complex upon TLR7/8 or 9 stimulation / PTK6 Regulates RTKs and Their Effectors AKT1 and DOK1 / Negative regulation of FLT3 / Constitutive Signaling by NOTCH1 HD Domain Mutants / Regulation of FZD by ubiquitination / TICAM1,TRAF6-dependent induction of TAK1 complex / NOTCH2 Activation and Transmission of Signal to the Nucleus / TICAM1-dependent activation of IRF3/IRF7 / APC/C:Cdc20 mediated degradation of Cyclin B / p75NTR recruits signalling complexes / Downregulation of ERBB4 signaling / APC-Cdc20 mediated degradation of Nek2A / PINK1-PRKN Mediated Mitophagy / TRAF6-mediated induction of TAK1 complex within TLR4 complex / TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling / Pexophagy / Regulation of innate immune responses to cytosolic DNA / InlA-mediated entry of Listeria monocytogenes into host cells / VLDLR internalisation and degradation / Downregulation of ERBB2:ERBB3 signaling / NF-kB is activated and signals survival / NRIF signals cell death from the nucleus / Regulation of PTEN localization / Activated NOTCH1 Transmits Signal to the Nucleus / Regulation of BACH1 activity / Translesion synthesis by REV1 / Synthesis of active ubiquitin: roles of E1 and E2 enzymes / Translesion synthesis by POLK / MAP3K8 (TPL2)-dependent MAPK1/3 activation / TICAM1, RIP1-mediated IKK complex recruitment / Downregulation of TGF-beta receptor signaling / Activation of IRF3, IRF7 mediated by TBK1, IKKε (IKBKE) / Translesion synthesis by POLI / Gap-filling DNA repair synthesis and ligation in GG-NER / Josephin domain DUBs / Regulation of activated PAK-2p34 by proteasome mediated degradation / InlB-mediated entry of Listeria monocytogenes into host cell / IKK complex recruitment mediated by RIP1 / JNK (c-Jun kinases) phosphorylation and activation mediated by activated human TAK1 / TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) / N-glycan trimming in the ER and Calnexin/Calreticulin cycle / Autodegradation of Cdh1 by Cdh1:APC/C / TNFR1-induced NF-kappa-B signaling pathway / APC/C:Cdc20 mediated degradation of Securin / ubiquitin binding / Asymmetric localization of PCP proteins / TCF dependent signaling in response to WNT / SCF-beta-TrCP mediated degradation of Emi1 / NIK-->noncanonical NF-kB signaling / Ubiquitin-dependent degradation of Cyclin D / Regulation of NF-kappa B signaling / AUF1 (hnRNP D0) binds and destabilizes mRNA / TNFR2 non-canonical NF-kB pathway / activated TAK1 mediates p38 MAPK activation / Assembly of the pre-replicative complex / Vpu mediated degradation of CD4 / NOTCH3 Activation and Transmission of Signal to the Nucleus / Negative regulators of DDX58/IFIH1 signaling / Deactivation of the beta-catenin transactivating complex / Degradation of DVL / Ubiquitin Mediated Degradation of Phosphorylated Cdc25A / Regulation of signaling by CBL / Dectin-1 mediated noncanonical NF-kB signaling / Cdc20:Phospho-APC/C mediated degradation of Cyclin A / Fanconi Anemia Pathway / Hh mutants are degraded by ERAD / Recognition of DNA damage by PCNA-containing replication complex / Negative regulation of FGFR3 signaling / Peroxisomal protein import / Degradation of AXIN / Degradation of GLI1 by the proteasome / Downregulation of SMAD2/3:SMAD4 transcriptional activity / Activation of NF-kappaB in B cells / Regulation of TNFR1 signaling / Termination of translesion DNA synthesis / Negative regulation of FGFR2 signaling / Hedgehog ligand biogenesis / Defective CFTR causes cystic fibrosis / Stabilization of p53 / EGFR downregulation
Similarity search - Function
: / : / : / IBR domain / In Between Ring fingers / TRIAD supradomain / TRIAD supradomain profile. / Ubiquitin domain signature. / Ubiquitin conserved site / Ubiquitin domain ...: / : / : / IBR domain / In Between Ring fingers / TRIAD supradomain / TRIAD supradomain profile. / Ubiquitin domain signature. / Ubiquitin conserved site / Ubiquitin domain / Ubiquitin family / Ubiquitin homologues / Ubiquitin domain profile. / Ubiquitin-like domain / Zinc finger, RING/FYVE/PHD-type / Ubiquitin-like domain superfamily
Similarity search - Domain/homology
Polyubiquitin-C / E3 ubiquitin-protein ligase RNF216
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.39 Å
AuthorsCotton, T.R. / Lechtenberg, B.C.
Funding support Australia, 1items
OrganizationGrant numberCountry
National Health and Medical Research Council (NHMRC, Australia)1182757 Australia
CitationJournal: Mol.Cell / Year: 2022
Title: Structural basis of K63-ubiquitin chain formation by the Gordon-Holmes syndrome RBR E3 ubiquitin ligase RNF216.
Authors: Cotton, T.R. / Cobbold, S.A. / Bernardini, J.P. / Richardson, L.W. / Wang, X.S. / Lechtenberg, B.C.
History
DepositionMar 21, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 5, 2022Provider: repository / Type: Initial release
Revision 1.1Jan 26, 2022Group: Database references / Category: citation
Item: _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed ..._citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 1.2Feb 16, 2022Group: Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.year
Revision 1.3Apr 3, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: E3 ubiquitin-protein ligase RNF216
B: E3 ubiquitin-protein ligase RNF216
C: Ubiquitin
D: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)81,25217
Polymers80,3224
Non-polymers93013
Water39622
1
A: E3 ubiquitin-protein ligase RNF216
C: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,76410
Polymers40,1612
Non-polymers6038
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: E3 ubiquitin-protein ligase RNF216
D: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,4887
Polymers40,1612
Non-polymers3275
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)81.871, 81.871, 248.656
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number92
Space group name H-MP41212
Space group name HallP4abw2nw
Symmetry operation#1: x,y,z
#2: -y+1/2,x+1/2,z+1/4
#3: y+1/2,-x+1/2,z+3/4
#4: x+1/2,-y+1/2,-z+3/4
#5: -x+1/2,y+1/2,-z+1/4
#6: -x,-y,z+1/2
#7: y,x,-z
#8: -y,-x,-z+1/2
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 601 through 760 or resid 764 through 771 or resid 1005 through 1007))
d_2ens_1(chain "B" and resid 601 through 1005)
d_1ens_2(chain "C" and resid 1 through 76)
d_2ens_2chain "D"

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1GLUGLYA2 - 161
d_12ens_1PHELEUA165 - 172
d_13ens_1ZNZND
d_14ens_1ZNZNE
d_21ens_1GLULEUG1 - 168
d_22ens_1ZNZNH
d_23ens_1ZNZNI
d_11ens_2METGLYM1 - 76
d_21ens_2METGLYN1 - 76

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(-0.118244247282, -0.985398285223, 0.122509254604), (-0.992966380325, 0.116592575913, -0.0205897738236), (0.00600545825147, -0.124082193408, -0.992253769834)30.2829272, 35.4178035584, 125.120647362
2given(-0.131616736724, -0.983983888024, 0.120219560482), (-0.991290276268, 0.13119947177, -0.0114143236255), (-0.00454123229142, -0.12067479735, -0.992681706537)30.3253996466, 34.1481918948, 125.47002035

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Components

#1: Protein E3 ubiquitin-protein ligase RNF216 / RING finger protein 216 / RING-type E3 ubiquitin transferase RNF216 / Triad domain-containing ...RING finger protein 216 / RING-type E3 ubiquitin transferase RNF216 / Triad domain-containing protein 3 / Ubiquitin-conjugating enzyme 7-interacting protein 1 / Zinc finger protein inhibiting NF-kappa-B


Mass: 31584.145 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: RNF216, TRIAD3, UBCE7IP1, ZIN / Production host: Escherichia coli (E. coli)
References: UniProt: Q9NWF9, RING-type E3 ubiquitin transferase
#2: Protein Ubiquitin


Mass: 8576.831 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: UBC / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P0CG48
#3: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: Zn
#4: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C3H8O3
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 22 / 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: 2.59 Å3/Da / Density % sol: 52.58 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7
Details: 15% PEG 6000, 0.18 M NaCl, 0.09 M Na HEPES pH7.0, 0.1 M KCl

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.953724 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jul 8, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.953724 Å / Relative weight: 1
ReflectionResolution: 2.387→49.51 Å / Num. obs: 18242 / % possible obs: 52.6 % / Redundancy: 13 % / Biso Wilson estimate: 59.46 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.126 / Rpim(I) all: 0.037 / Rrim(I) all: 0.132 / Net I/σ(I): 13.8
Reflection shellResolution: 2.387→2.732 Å / Redundancy: 12.1 % / Rmerge(I) obs: 2.276 / Mean I/σ(I) obs: 1.4 / Num. unique obs: 913 / CC1/2: 0.47 / Rpim(I) all: 0.678 / Rrim(I) all: 2.378 / % possible all: 8.1

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Processing

Software
NameVersionClassification
PHENIXdev_3965refinement
XDSdata reduction
XDSdata scaling
STARANISOdata scaling
Cootmodel building
AutoSolphasing
RefinementMethod to determine structure: SAD
Starting model: RNF216/ubiquitin

Resolution: 2.39→47.46 Å / SU ML: 0.2567 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 30.7019
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2468 1825 10.01 %
Rwork0.2002 16406 -
obs0.2049 18231 52.56 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 63.54 Å2
Refinement stepCycle: LAST / Resolution: 2.39→47.46 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3909 0 28 22 3959
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0023985
X-RAY DIFFRACTIONf_angle_d0.48195340
X-RAY DIFFRACTIONf_chiral_restr0.0409574
X-RAY DIFFRACTIONf_plane_restr0.0042704
X-RAY DIFFRACTIONf_dihedral_angle_d12.31441587
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS2.26605567001
ens_2d_2DX-RAY DIFFRACTIONTorsion NCS0.471329359864
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.39-2.450.291140.5636X-RAY DIFFRACTION1.53
2.45-2.520.7393120.440696X-RAY DIFFRACTION4.27
2.52-2.60.5245240.4356217X-RAY DIFFRACTION9.37
2.61-2.70.5718360.424331X-RAY DIFFRACTION14.12
2.7-2.810.4359520.3861453X-RAY DIFFRACTION19.38
2.81-2.930.3993690.3804628X-RAY DIFFRACTION26.53
2.93-3.090.3505990.3336890X-RAY DIFFRACTION37.62
3.09-3.280.36981680.30161503X-RAY DIFFRACTION62.65
3.28-3.540.32192590.25982325X-RAY DIFFRACTION97.73
3.54-3.890.26982690.20032417X-RAY DIFFRACTION99.96
3.89-4.450.20312690.15962422X-RAY DIFFRACTION99.93
4.45-5.610.21082740.17052460X-RAY DIFFRACTION100
5.61-47.460.20452900.17122628X-RAY DIFFRACTION99.73
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)
10.00699876094526-0.0002355180323550.02123664930540.02573715036850.05216311164920.1575431030920.0749393020802-0.05271749993130.05945291807030.0670566178953-0.05002988976470.0336561770080.00653795848043-0.00251506277481-0.2939940547460.2467423648230.06531908291220.1137662273980.3343090737170.001035113331460.0594964346064-2.89191136534.7530764435123.08678285
25.009726173971.480435534440.5755732210180.9831138517181.092257872151.630445369090.567437930716-0.899802969587-0.1914091096010.139785605422-0.0075114734357-0.2709306955510.182296147976-0.02958271097050.8667165702370.2821784884420.07344402745670.0148549415370.4350246747120.05167412762450.3004675150821.2795111724628.1284752115120.907591176
30.297057158371-0.00111598088376-0.3614879903070.29553342612-0.2311816653410.6788835187290.238041277068-0.008009046095-0.4289620221350.0330660139170.190780967373-0.165467682850.3478834990970.3590338358610.168253090070.6767433052880.24635893-0.03196113180890.520838496943-0.09501591953450.81295262939312.319134439723.7065662771120.16880353
40.1502894181020.0574212644719-0.05762717527390.636346749171-0.6614536133620.6877812330560.112259335409-0.3736421817750.3581624691070.416646446235-0.241105824430.144360701011-0.4621189473920.100797756703-0.2002493513710.5255412504510.1262311618770.04141596318240.519351564939-0.2516060248880.58017381468918.273183341728.1530072004113.467151427
50.0210253078445-0.043862802313-0.0320840174120.09091191418830.06490779826220.0695624206269-0.00385942499969-0.02079306570580.03708472842350.025668737453-0.0041977956570.0194176760538-0.00277291336562-0.0125952299697-0.4304079586710.06374223495960.09282560686030.1012888394740.2980210855720.005440953113830.28618462791720.618680829221.924666858898.2750773518
60.512653538858-0.0005651600196180.3322636364340.1205928488090.1400078423991.212484641210.1083994750560.0552345233863-0.1646219698360.06802809877480.06403717742090.01088752064430.274387016776-0.1401449033870.5171994431030.219763492188-0.0375859612086-0.1227135454950.2175256589010.04956061181520.14160053687327.2535538415.6154805516885.7343005779
70.3554318207990.151879538707-0.08017994298830.1902534920890.007321455466820.0315876433318-0.06302670474490.1830297169340.0574557907802-0.09319662782730.08774639189850.1500694814140.0568961267128-0.09348534581750.4792035398180.171462288123-0.211476465428-0.01941773345630.3649485857710.105565314880.25937502157320.12386588087.0273553110573.0828782976
80.164629176667-0.1250981906560.2494991270572.033803101860.3725384121280.797679902080.02287891824480.311043161966-0.218157663364-0.31535256723-0.108114166560.545609307115-0.0266049768098-0.0142646730484-0.00364675089680.192654712596-0.149466327091-0.1045707038260.602373884890.006336330770090.30280061960319.59971221387.8582556796870.2355504666
90.3888570257710.2105968824140.4226606648740.1156394453910.1963135889321.46250980860.308847116365-0.1201199106330.554117207764-0.6041532477160.1033258140790.421104364034-0.837048139814-0.233369551678-0.0318983152830.447995181938-0.004182633198970.1419107720180.3138351983150.09793754717840.5132769821221.073627737624.342920585185.0803009716
100.284423823773-0.2349591243240.1303638914860.516698463599-0.2407910569210.1147002631130.0731605569879-0.0551527333537-0.2401864582650.1327865780090.04755600742950.342561541812-0.0207578451626-0.02088594778520.1879028264960.7317786735460.3636001741760.2979881954340.91958779956-0.1116695341211.2359923291612.933360642834.217457755697.9766115538
110.118735726856-0.0740177902330.01668117726570.063866283361-0.02127149721040.0123449988155-0.0002410020327820.09559787007570.09117060007110.082131581829-0.05267921249870.0122179864837-0.397795572269-0.4373123498340.004103874917421.355569664980.1802548309710.1475514925740.636697276958-0.07138725068411.2658523868117.013650401239.495703524699.534182376
123.111729302650.7641138766350.3103624414210.278663596257-0.1806316424830.753949297310.02941616102420.4344696635280.0514028349337-0.7151202732560.303402947123-0.0498083744037-0.1308685546050.233082206193-0.1082319518690.659030405924-0.01047536584760.27412420550.378211021283-0.1607260842170.96882655371427.739670631230.597201586691.8644986862
130.0012015481665-0.00651898401141-0.01152754997740.05639540479070.04164724065190.0872754939841-0.0336268084539-0.07593829533180.02050696986480.01760048510520.01913437831430.007427444483140.0246867603764-0.0042137792907-0.6783821869970.3261462826110.310810157782-0.02761495729130.329131050907-0.1408181759360.12991139453512.117228425939.78760384890.390798621484
140.0721056015366-0.0865254608711-0.002842300477430.2077249376750.01049890347670.1528923176450.1524507462140.17958067521-0.111339996748-0.164136654376-0.09678316987070.05147873783380.1873346709860.05317064159230.5005028252230.413493021420.299419917334-0.0568145221230.38624055791-0.04704939592550.12958241726818.414953220937.4982986805-0.470069744299
150.0137656351826-0.0143380121302-0.007343620709420.0163675160180.01104698409920.00622143193781-0.0242856946445-0.0320313740002-0.01672537898930.01074225332530.007512849236160.002448356140780.03430555374460.0182450147483-1.72780566810.5497660827690.4918524101550.002936576908710.569641000482-0.0541385967410.23459929671816.820339746332.8445665614.21542183841
160.138605865288-0.2365337628440.05411348861610.402937322864-0.09187470712170.0208997402232-0.04149015616560.05870088264280.158249811659-0.0245968445053-0.0554932183639-0.157326897105-0.01405353306370.0600670312419-0.6578254123090.544561125020.4144627150040.1524815262060.858462459010.3283089768680.57240201701420.145966478223.79217426494.47125296228
170.150075568269-0.0230055461668-0.05969781847520.02281806924120.01095374172350.02426359415030.0623925415127-0.102358023939-0.0821006142799-0.276426979875-0.07431566942950.0503092654660.126232187664-0.140934772131-0.7338723415670.4694575720910.214439299347-0.00900503626810.5031499613620.08288621638630.18390809063115.412178399217.86445684515.4207355547
180.08695766872530.0402558223675-0.008562575604480.0964367490642-0.09038664364230.0926342906131-0.00197928211931-0.0668026350012-0.0481260149491-0.0705746742174-0.0492932128096-0.08057669464190.1192761291690.0858481138344-0.6333382572840.3544545785210.2038571173680.1274040519380.4907198641640.1774341250510.12363950394826.68800743459.9219441537734.3502135843
190.253029552117-0.04637393055550.261932679610.0697907259575-0.09091926881620.4713263516910.05450943378950.0527742615197-0.0123516772001-0.00792672168324-0.0583173165971-0.08742767143680.1224477217380.1111578036430.4018238825540.3386115651030.2088609220660.09880113494370.5023596624560.2673512979790.2779599640133.98186071425.0802966137243.3768023276
200.0160899832976-0.0270780915048-0.002938398622030.04007012863940.01204875199940.02131278842930.05405900140960.02838157018740.0266929873281-0.057936324865-0.0299977122269-0.01282126033590.01317107776330.06022710119320.8702114961510.280516449305-0.0210209063939-0.1265132675270.4308398597280.2870288079440.23253595075330.590653487214.391059052951.1436249595
210.5876775970670.189981035497-0.7430506611310.44325384375-0.1411913922581.2075878262-0.01795953315490.1497394617590.03369569014390.0196836421930.001261883320570.1070817284670.0340983133089-0.269715148986-1.651183081820.344110614699-0.05153580770050.1140764354220.5595486298020.1759528135970.16351519645923.54108097214.60506232850.7426709968
222.520398503332.377197578211.720059162062.442578534891.604833540671.22382367590.009860771599870.4890595446580.688675653524-0.2529177077240.05933652550270.770726084379-0.280113795769-1.16905443597-0.07737644890670.3714042484320.01949998878110.09646569168360.9237039497780.1076712994140.48323852279211.089303196418.805384797633.3269643791
230.0549984297122-0.001535730349-0.01443277442510.000826612790118-0.008260410701910.103392711918-0.328589046658-0.03183721905810.205168948284-0.1179052182030.1177094765830.0525876156089-0.2953357800780.002311598085758.21498164997E-51.678969580050.3914541928070.02394685384881.571715721940.03486340237461.228600451526.1722184259625.101895314723.7810567646
240.349885193395-0.5529248941190.2552018033812.272611156491.206362516922.037308884970.3484875100360.1019513797210.510332434819-0.2110261331560.3652539045660.359171877191-0.459933371052-0.367872503024-0.07151894198630.518026074041-0.1874569530430.2897307012841.3223334910.04530474364751.276332376316.543590504512.73967704827.5229149709
250.375660431836-0.0589257311366-0.1498189482831.985407342861.044922183190.663127969243-0.291507737075-0.5534960916680.3831809909820.380391795282-0.02761397689540.008045340693430.112477870446-0.201952593407-0.2185733450920.3551221743930.1734212902-0.02254687249220.425762813957-0.1015940152190.25518652993731.597659472313.3139402617105.054421434
260.4259813439780.2316558804810.2215066667420.1914482304940.08000908049170.2555192909780.00900346836863-0.1346939881650.07906369254730.03440684864950.0004829715756080.0113905908812-0.0248534136495-0.04553845963190.4355978522470.222392890074-0.0663228748731-0.1944949187570.516151524441-0.2038714244410.47160427818141.193900501120.125510916103.707024397
270.53574629597-0.4852522935780.1784537531270.461616309299-0.01989521179250.993205844585-0.0366783533871-0.0120317506891-0.225906728944-0.00664011938030.0550947751837-0.4064431333370.1909051355490.6963597904730.08868464256310.1170844569130.03583892313010.01537095722690.4815087969840.007208126431250.56695056508437.158218577813.887729109996.1353847131
280.447845726929-0.115755366930.3221290047610.0307364755077-0.08474015711040.2355935413550.006402304746780.207672744784-0.1086604312310.0856487462675-0.0726512240091-0.172274138721-0.09020372938590.301503969044-0.1479220339990.409243434095-0.195197545308-0.08664678538450.735194422026-0.1743839345391.1536471925238.968957161825.087215166595.0707808222
291.120859308630.583259149981-0.1996154818270.8093890462690.5701807176860.935634632426-0.0856242096928-0.02647843506060.52002755641-0.08036132461810.2408170579330.0301438786402-0.1584593317710.1761774672471.901448565460.137169279664-0.0647557770508-0.1293449386280.254067009544-0.07753848783080.41311582985430.603759825921.9062773265100.150173372
300.8819539859780.144782685997-0.08653174961830.7005885682760.7647614317170.946418346594-0.1176063210280.17074812993-0.321445550737-0.2735596115960.125813836286-0.3260728683630.0163323714482-0.0597733791351-0.2974295595570.432479790542-0.00827149901361-0.1002526341330.160014963574-0.1086845590750.34964029641334.31938967967.5912945711882.7901566205
311.5713403531-0.1556787855280.4396982581433.504938561540.1955472486670.1397417025240.018549385852-0.016619684197-0.212526277188-1.11809799843-0.2416655317090.09377002329390.1990358283180.310372282971-0.1679802002790.6938386564730.05703788119860.06581439658280.596110829911-0.009919212939590.24159465316124.80227426263.0604804852419.4154176706
320.123058749039-0.0888817724047-0.02432807481760.08345070019020.009467275743410.007785558773480.05720647264910.214718314913-0.736399709328-0.745752925427-0.0847850599367-0.585361888411.04111610003-0.8781236967670.002385502415611.21461842673-0.123116731264-0.02209156526020.869479080555-0.00142658485850.9184596759319.5932077158-5.5249919114620.9052296127
334.81114213657-1.949708299041.352931131494.42481129896-1.248429123140.5156158646620.5922573687930.112814946288-0.835759038514-0.434335007868-0.516111446909-0.5071898873410.951754092730.4348086663221.293278486430.9709381609930.1596892119330.04384537332190.4485669894020.2622079802210.69292308173223.0553309216-2.2354666342930.0238561938
340.129122698153-0.09274208170120.0143600943270.244725036410.1371479989580.13392342623-0.396248111034-0.300100159008-1.36988413524-0.134815226157-0.1143422554340.2300831691070.701622262415-0.288092310801-0.005621080228271.02308153531-0.2107526112380.1255697870530.7520515014410.2261490864340.87014081306413.4142488623-1.3832621230731.173747877
351.93155187788-0.503332814525-0.003794613977510.190620253737-0.05401892805950.0506847577520.550740829371-0.585156612794-0.557499403607-0.487806230384-0.04198235246030.5572746665111.2004370212-0.5795569616060.0564851401370.580208104925-0.0279773550868-0.2253336230630.5643105650770.05746327581290.37138587458216.05884050255.1064776530623.7344995295
360.2657705600560.193031502971-0.4373037634350.606939695220.08677521507641.071415633070.203099979752-0.202419762329-0.01429611311750.478705925666-0.239652042836-0.00590288945240.5492849063540.164841786167-0.449980728540.516416247320.07928785402070.1013980307920.7709060052880.2567407316650.35314103070129.11985099960.48114371487742.6557464748
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11(chain A and resid 600:616)AA600 - 6161 - 17
22(chain A and resid 617:639)AA617 - 63918 - 40
33(chain A and resid 640:647)AA640 - 64741 - 48
44(chain A and resid 648:657)AA648 - 65749 - 58
55(chain A and resid 658:670)AA658 - 67059 - 71
66(chain A and resid 671:700)AA671 - 70072 - 101
77(chain A and resid 701:725)AA701 - 725102 - 126
88(chain A and resid 726:734)AA726 - 734127 - 135
99(chain A and resid 735:751)AA735 - 751136 - 152
1010(chain A and resid 752:759)AA752 - 759153 - 160
1111(chain A and resid 760:765)AA760 - 765161 - 166
1212(chain A and resid 766:772)AA766 - 772167 - 173
1313(chain B and resid 601:615)BG601 - 6151 - 15
1414(chain B and resid 616:627)BG616 - 62716 - 27
1515(chain B and resid 628:639)BG628 - 63928 - 39
1616(chain B and resid 640:648)BG640 - 64840 - 48
1717(chain B and resid 649:663)BG649 - 66349 - 63
1818(chain B and resid 664:685)BG664 - 68564 - 85
1919(chain B and resid 686:698)BG686 - 69886 - 98
2020(chain B and resid 699:724)BG699 - 72499 - 124
2121(chain B and resid 725:742)BG725 - 742125 - 142
2222(chain B and resid 743:752)BG743 - 752143 - 152
2323(chain B and resid 753:760)BG753 - 760153 - 160
2424(chain B and resid 764:771)BG764 - 771161 - 168
2525(chain C and resid 1:15)CM1 - 151 - 15
2626(chain C and resid 16:32)CM16 - 3216 - 32
2727(chain C and resid 33:49)CM33 - 4933 - 49
2828(chain C and resid 50:57)CM50 - 5750 - 57
2929(chain C and resid 58:70)CM58 - 7058 - 70
3030(chain C and resid 71:76)CM71 - 7671 - 76
3131(chain D and resid 1:17)DN1 - 171 - 17
3232(chain D and resid 18:35)DN18 - 3518 - 35
3333(chain D and resid 36:47)DN36 - 4736 - 47
3434(chain D and resid 48:55)DN48 - 5548 - 55
3535(chain D and resid 56:70)DN56 - 7056 - 70
3636(chain D and resid 71:76)DN71 - 7671 - 76

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