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- PDB-7m4n: Crystal structure of RBR E3 ligase RNF216 in complex with K63-lin... -

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Basic information

Entry
Database: PDB / ID: 7m4n
TitleCrystal structure of RBR E3 ligase RNF216 in complex with K63-linked di-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 / MOLECULAR REPLACEMENT / Resolution: 2.52 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

Downloads & links

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Assembly

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


Theoretical massNumber of molelcules
Total (without water)67,20022
Polymers65,8556
Non-polymers1,34516
Water1,31573
1
A: E3 ubiquitin-protein ligase RNF216
C: Ubiquitin
E: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)33,60011
Polymers32,9283
Non-polymers6738
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: E3 ubiquitin-protein ligase RNF216
D: Ubiquitin
F: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)33,60011
Polymers32,9283
Non-polymers6738
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)41.791, 84.414, 96.418
Angle α, β, γ (deg.)90.000, 102.151, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 652 through 761 or resid 764...
d_2ens_1(chain "B" and (resid 652 through 1006 or resid 1008 through 1010))
d_1ens_2chain "C"
d_2ens_2chain "D"
d_3ens_2(chain "E" and (resid 1 through 75 or (resid 76 and (name N or name CA or name C or name O ))))
d_4ens_2(chain "F" and (resid 1 through 75 or (resid 76 and (name N or name CA or name C or name O ))))

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1ALAGLUA1 - 110
d_12ens_1PHELEUA112 - 119
d_13ens_1ZNZNC
d_14ens_1ZNZND
d_15ens_1SO4SO4F
d_16ens_1SO4SO4G
d_17ens_1GOLGOLH
d_21ens_1ALALEUJ1 - 118
d_22ens_1ZNZNK
d_23ens_1ZNZNL
d_24ens_1SO4SO4N
d_25ens_1SO4SO4O
d_26ens_1GOLGOLP
d_11ens_2METGLYR1 - 76
d_21ens_2METGLYT1 - 76
d_31ens_2METGLYV1 - 76
d_41ens_2METGLYY1 - 76

NCS ensembles :
ID
ens_1
ens_2

NCS oper:
IDCodeMatrixVector
1given(0.999985670129, -0.0015835732101, 0.00511388624793), (-0.0015529649827, -0.99998089133, -0.00598375085399), (0.00512326423592, 0.00597572342134, -0.999969020967)-10.8945712923, 4.77021722333, -47.0129132179
2given(0.999897760858, -0.00715776587609, 0.0123787809759), (-0.00726300084222, -0.999937690324, 0.00847728071345), (0.0123173312675, -0.00856632110019, -0.999887444412)-10.6082780156, 4.85215275408, -46.4714097639
3given(0.882464602601, 0.0635380923441, 0.466067737541), (-0.445013071792, 0.433756043929, 0.783466055608), (-0.152379759449, -0.89878729696, 0.411049636581)25.7170427136, -26.160613101, 12.6608659238
4given(0.890243992916, 0.0619354379953, 0.451253403972), (0.430017150679, -0.440914667415, -0.787832156097), (0.150169514878, 0.895409547402, -0.419154934627)15.0246223108, 30.7905968529, -60.0662583154

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Components

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Protein , 2 types, 6 molecules ABCDEF

#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: 15773.959 Da / Num. of mol.: 2 / Mutation: C688A
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.: 4
Source method: isolated from a genetically manipulated source
Details: K63-linked di-ubiquitin: isopeptide bond between ubiquitin C-terminus and lysine 63 side-chain; chain C linked to chain E and chain D linked to chain F
Source: (gene. exp.) Homo sapiens (human) / Gene: UBC / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P0CG48

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Non-polymers , 4 types, 89 molecules

#3: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Zn
#4: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: SO4
#5: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O3
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 73 / Source method: isolated from a natural source / Formula: H2O

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Details

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: 2.52 Å3/Da / Density % sol: 51.28 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.9 / Details: 0.2M ammonium sulfate, 30% PEG 4000

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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: Sep 17, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.953724 Å / Relative weight: 1
ReflectionResolution: 2.52→47.13 Å / Num. obs: 22096 / % possible obs: 98.8 % / Redundancy: 3.5 % / Biso Wilson estimate: 34.5 Å2 / CC1/2: 0.987 / Rmerge(I) obs: 0.153 / Rpim(I) all: 0.146 / Rrim(I) all: 0.208 / Net I/σ(I): 5.6
Reflection shellResolution: 2.52→2.62 Å / Redundancy: 3.4 % / Rmerge(I) obs: 0.933 / Mean I/σ(I) obs: 1.2 / Num. unique obs: 2331 / CC1/2: 0.48 / Rpim(I) all: 0.882 / Rrim(I) all: 1.286 / % possible all: 91.7

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Processing

Software
NameVersionClassification
PHENIXdev_3965refinement
XDSdata reduction
XDSdata scaling
Cootmodel building
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: RNF216/ubiquitin

Resolution: 2.52→42.21 Å / SU ML: 0.4036 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 29.1167
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2732 1999 9.06 %
Rwork0.2163 20063 -
obs0.2214 22062 98.69 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 46.24 Å2
Refinement stepCycle: LAST / Resolution: 2.52→42.21 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms4293 0 58 73 4424
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00314389
X-RAY DIFFRACTIONf_angle_d0.59825887
X-RAY DIFFRACTIONf_chiral_restr0.0459648
X-RAY DIFFRACTIONf_plane_restr0.0043766
X-RAY DIFFRACTIONf_dihedral_angle_d11.61461739
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2BX-RAY DIFFRACTIONTorsion NCS3.06712211498
ens_2d_2DX-RAY DIFFRACTIONTorsion NCS0.509032001303
ens_2d_3EX-RAY DIFFRACTIONTorsion NCS3.01457224801
ens_2d_4FX-RAY DIFFRACTIONTorsion NCS3.03081044501
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.52-2.580.36651250.32291239X-RAY DIFFRACTION86.55
2.58-2.650.39011410.29651433X-RAY DIFFRACTION99.56
2.65-2.730.34041430.26951446X-RAY DIFFRACTION100
2.73-2.810.31651410.27071471X-RAY DIFFRACTION99.81
2.81-2.910.30321460.2621421X-RAY DIFFRACTION99.75
2.91-3.030.33981450.26751443X-RAY DIFFRACTION99.81
3.03-3.170.31661460.24781429X-RAY DIFFRACTION99.81
3.17-3.340.31061490.21821459X-RAY DIFFRACTION99.94
3.34-3.550.29351430.20731441X-RAY DIFFRACTION99.62
3.55-3.820.26041400.19561456X-RAY DIFFRACTION99.75
3.82-4.20.22391450.17681460X-RAY DIFFRACTION99.75
4.2-4.810.22841440.16611433X-RAY DIFFRACTION99.75
4.81-6.060.22191480.19351466X-RAY DIFFRACTION99.32
6.06-42.210.24351430.21521466X-RAY DIFFRACTION98.17
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)
10.4061200340680.005925211376970.1322176843010.09555217909690.0734007385480.095604064975-0.364677943875-1.458768481171.567146824820.959857170132-0.0826653277743-0.239427284737-0.984282669728-0.39661463798-0.003088785250121.09907317583-0.1166611557030.0769152426210.652664240626-0.1229466337360.522345874183-22.440163497640.2669130275-2.21758343021
29.9543133119-2.199330605574.598840699753.73508146187-3.877208141184.662679510520.2776741886290.364768144479-1.27413685738-0.90059782213-0.07730209684760.166012117288-0.1063609751350.7082060782770.5510205172250.38688457056-0.0161973061610.05750968095360.2086627261740.01057422063470.197837839222-17.502338962831.3157187653-3.48590840585
31.2260460847-0.2414618427260.1916851837391.68321698156-0.8049853216270.446364170359-0.03639488251140.7208710889430.374478411005-0.5715269533470.324126969240.157133688588-0.02324979902120.8062624223460.277732846750.292096220188-0.1080571772440.009301954232360.439528439884-0.04835797122640.193397314166-11.596169270619.9166780362-9.15840079461
40.4283121443520.7207774103891.868286697142.424655581061.993398864939.71896162846-0.6117870998510.3818459730630.545928167292-0.589565426065-0.543548185807-0.813114634052-1.019611327450.900070839681-0.3466376386080.315958786050.102240144577-0.02768961573330.5584933909660.1013280165090.569003281962-9.9005636361417.2083222729-19.270056421
53.43589934036-4.9290283253-4.976892938587.716963524478.33821137599.409561559380.4637186274210.513924646362-1.354163514550.0649752459981-1.027072900841.898050364060.273159905452-1.34246696787-0.6734444670750.4243072906080.0143072346605-0.1988459899860.410530651092-0.009062001056080.661432464593-10.01513972534.93928438818-10.4671426565
60.0898219123297-0.01756757000430.06895095847150.122675351702-0.08078880936140.08511920187320.4165180430790.165653788643-0.04935599304830.116164945551-0.2885674385730.871037144399-0.323483780051-0.9592604112480.0008132199458310.4987597246920.0630935419528-0.04669149676040.444242931184-0.05657956119480.473171073485-6.8923696374110.175056934-20.5194734816
70.4540242667220.08857599521841.340184102760.02674873086790.2657480141674.412266045480.3222043031860.05629381650180.516503248305-0.105663720556-0.1424203716380.2215629866290.08312319051141.009192454930.10879709410.409578707838-0.01954409918650.01796338846020.2740147588920.05329909293950.462666643708-2.0566476823813.6552547103-12.3531219553
85.39516619543-0.7940218710231.833983665523.800831937680.2700266957961.588440553440.806968922731.130553350270.157472974593-1.945105755650.05270928710650.0898369010210.0598450312450.4026977717760.4843478166480.5450919175880.0557847113383-0.04884178757720.41273371989-0.02723107501650.5094816046813.953824415655.05917651861-14.6825072941
95.78192405049-0.8781642056343.253030287387.39275223777-4.941813350294.547952856941.05425127014-1.12872707780.7242461689141.069282277380.817342554098-0.254617067771-0.993071884778-0.3161077930482.016120861440.521752270212-0.1331846135190.08761381866370.328049939358-0.02635681592110.4286340269815.875614796-1.48062923552-1.04308464773
100.765439716716-1.59101434614-1.295818399094.619082775792.966447138652.247478455040.257771500906-0.3437591987430.2183126080280.893032803356-0.278575732512-0.2882089706840.1636017515180.256965837388-0.1386266990640.300487320691-0.0488066302068-0.01111484167850.419242190310.08121962720710.4829547039399.524004946984.73273539547-4.93831873513
110.1526773766180.4948847832350.8416203704731.788390464552.605924345924.830266826930.3575499650260.117379705424-0.00745099001678-0.041700608462-0.1017915148040.2123178786860.445636852148-0.987399553681-0.3173189324170.217138800668-0.00628885593801-0.02752514255870.4230222167190.2669853421720.54698285864-4.831436429385.2486383455-5.5061810094
128.7648326429-7.125435889877.458421322082.01489818777-7.07447638766.607191876921.10282478521-0.716185707579-1.660433009090.976017214690.5185363577350.9324058734950.934730138617-0.9274590749341.889226795930.630936564871-0.0279618370681-0.01468144826790.417624282466-0.05855205929080.441788064753-9.9267756496813.45753362581.91274188122
136.855999193562.711049615461.556172555854.921007925661.042139761542.461271243990.656937682174-1.49145625878-0.6703236762410.0606128863579-0.6217162439650.188417061874-0.397243793325-0.173054621245-0.007909121881520.248786573003-0.02592967087240.03681303349650.305219312816-0.02056554959820.448076434549-13.088203559623.23369508254.88114809213
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613.933441872620.1009310920530.9655697101090.08710557502110.5584877650243.8970512322-0.748310606067-1.247545990120.001483296884650.5399366206291.03437325753-0.377537788729-0.09556446284240.403155210736-0.5615545310160.4329228137830.1653122482460.009507184518170.400343848742-0.06279251226190.3405258276526.63006129034-13.0796607496-3.40840201984
622.00370794831-0.478859729777-5.167235860018.138582094510.9781944328994.800754121460.605257647038-2.577881327330.1151589634261.113976762080.0449695128999-0.6439681354050.08371282610721.036602431290.789219986440.220772398789-0.1148402298870.01823632494860.5586765076330.07737730016490.464884637317-1.88416201054-12.08989465152.19060232163
631.307317646550.900683724939-0.2174965471340.742782263363-0.1012126919631.725589503570.215286660506-0.3628784998961.308141461410.2340595936360.4278936079760.614540375869-0.384020718067-0.2943698170.1694033696620.3655079582740.00689687760520.05389581831710.30052965733-0.02775055756650.39689028656-0.392928453169-4.93655511868-5.98813355385
642.586405564490.9191554289822.192116311910.3306445744090.8471220674742.72268571273-0.1034085799510.2517898924660.182478594132-0.452715969452-0.295185769549-0.00457896848296-0.3030201604651.2743811201-0.74737225290.3557881675270.04046274902590.07997830486960.360716172470.1270313843430.3012528781022.93499391704-14.9655030748-11.2631009151
650.01899724020690.0755300020850.1043080169510.761452591824-1.027802925564.119910386590.0071250883056-1.220070327120.1747771426260.102335421978-0.636454864315-0.07613752789120.646116451047-0.71506396135-4.78532215770.236130461894-0.0166337718007-0.3551240304240.9015422540840.460646725193-0.120660430733-0.422112629836-30.14061218530.531978271947
665.11742045474-0.4392149881060.567591940373.149365719410.3322134149350.1161029509170.296996138765-1.27180210130.1334486066680.138619013938-0.9387235591270.368795590569-0.1574975454550.345787907881-0.1198825631560.502170897963-0.133258711574-0.03248824558510.315304659076-0.04520577280420.327089567343-11.676799337518.6749205052-32.7155813172
671.97083287659-1.17460591795-0.07337151393691.608121383121.260821312416.64856630009-0.115087050165-0.3432994740321.201029895690.05837047221770.4693875191940.0608974724816-1.806763079912.00992754776-0.1327182331260.821777477476-0.141647218236-0.04750654100570.479174870428-0.1044774438370.376829974738-8.355598355927.8119478211-31.6809226022
681.349609504442.759875855811.919220072536.832335723554.46405356122.984897652380.120704694563-0.09855146850040.3923160666440.932144543994-1.097973164631.178982673260.976927095214-1.967052200540.2981916677280.510203868836-0.169523168394-0.001293488019810.448152369777-0.004437181885360.443863982862-18.892974961214.1740904247-35.6699502369
693.90477459286-0.272315563692-2.838001654510.619162334484-0.7345057129893.58779800466-0.02511912625610.5579556015840.7262507531990.2590608495390.76653365168-0.406376871707-0.313564236027-0.6086316086730.4170904321780.305586573629-0.0299402384755-0.03775991208870.361060504563-0.07152506346770.349915010295-18.878053706119.315927886-42.9391767382
705.804716926340.820979618559-1.49195571930.583082688176-0.568465025120.644840956880.272845809798-1.122615168720.2916840860780.742226822973-0.5468661375951.17037862452-0.652459976572-0.43780638053-0.08262289469530.5758269140450.1273753316840.06707654524530.441237231673-0.01134725051470.593333761763-19.793733084927.4149961222-36.0585254814
712.130239210961.064245742071.577554582782.54132680086-1.073125103494.84566260745-0.233877252402-0.3734159184370.9533444904190.0254227690593-0.609821203101-0.184701483641-0.8862525079470.00153649892798-1.715903221740.2913144282580.1250789941210.07170848654250.3689175416180.07513883755180.395720212896-16.547255585630.902703611-43.6809875901
722.94172753047-1.76526267256-0.4325872115231.627845490780.3595139101684.903482783740.76844329956-0.0112943394194-0.45427647412-0.191684761213-0.4726456844660.248288733997-0.210941548489-0.2050665502031.517452925220.2623620362790.0322772235999-0.03132781915730.335631240332-0.0691865679430.589662864156-8.2296377224222.57046203-43.1945578079
738.948373517893.189280468014.845923574445.34773526264-0.4541594854623.753798983890.1870710305870.956925320724-1.42693926056-0.953574071588-0.348060958567-1.46298311076-0.01500064863020.4221798420110.2959359209320.3208806612210.007188272269370.03969998675810.5151630184640.03098828054550.270008650087-6.0898759964717.9530997173-46.8266152835
740.425344852387-0.422739968469-1.304969331811.22130213512-0.8286703927639.338628641320.1878043944290.129443507039-0.00735493905555-0.0277245125091-0.2342728358490.4490596568330.9357033406330.872933826321-0.2277570109970.2686945976630.00838183677719-0.1197522514990.383966383674-0.03657848743630.54550172078-14.443043484813.5257489434-47.119274791
750.610957609544-0.2084090590110.2327514597610.7876213447890.04391181083720.107787383431-0.2765763007360.2661389576730.0812535388324-0.1683337573620.216962566151-0.153350594817-0.03973275153850.4541085649510.004838700708630.294450129938-0.000613519096119-0.0453730146340.4157515085030.006165372898920.341607528929-9.0014728904914.6980292217-38.3551786878
768.53584361613-4.70873547095-3.274502630824.594055575365.009402992226.33467896637-0.02758111834191.721794467270.16783567085-0.632066358626-0.822530233943-0.458823541368-0.841129349875-0.896540339843-3.876335695310.273010667842-0.07322925976190.1715727658280.4252641197370.1208863223390.643392436918-11.003790075635.0926883123-47.7047091875
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 652:657)AA652 - 6571 - 6
22(chain A and resid 658:665)AA658 - 6657 - 14
33(chain A and resid 666:675)AA666 - 67515 - 24
44(chain A and resid 676:683)AA676 - 68325 - 32
55(chain A and resid 684:689)AA684 - 68933 - 38
66(chain A and resid 690:699)AA690 - 69939 - 48
77(chain A and resid 700:707)AA700 - 70749 - 56
88(chain A and resid 708:715)AA708 - 71557 - 64
99(chain A and resid 716:723)AA716 - 72365 - 72
1010(chain A and resid 724:730)AA724 - 73073 - 79
1111(chain A and resid 731:737)AA731 - 73780 - 86
1212(chain A and resid 738:742)AA738 - 74287 - 91
1313(chain A and resid 743:751)AA743 - 75192 - 100
1414(chain A and resid 752:757)AA752 - 757101 - 106
1515(chain A and resid 758:766)AA758 - 766107 - 114
1616(chain A and resid 767:772)AA767 - 772115 - 120
1717(chain B and resid 652:657)BJ652 - 6571 - 6
1818(chain B and resid 658:671)BJ658 - 6717 - 20
1919(chain B and resid 672:676)BJ672 - 67621 - 25
2020(chain B and resid 677:684)BJ677 - 68426 - 33
2121(chain B and resid 685:690)BJ685 - 69034 - 39
2222(chain B and resid 691:696)BJ691 - 69640 - 45
2323(chain B and resid 697:704)BJ697 - 70446 - 53
2424(chain B and resid 705:710)BJ705 - 71054 - 59
2525(chain B and resid 711:716)BJ711 - 71660 - 65
2626(chain B and resid 717:724)BJ717 - 72466 - 73
2727(chain B and resid 725:732)BJ725 - 73274 - 81
2828(chain B and resid 733:742)BJ733 - 74282 - 91
2929(chain B and resid 743:751)BJ743 - 75192 - 100
3030(chain B and resid 752:758)BJ752 - 758101 - 107
3131(chain B and resid 759:765)BJ759 - 765108 - 112
3232(chain B and resid 766:771)BJ766 - 771113 - 118
3333(chain C and resid 1:6)CR1 - 61 - 6
3434(chain C and resid 7:12)CR7 - 127 - 12
3535(chain C and resid 13:18)CR13 - 1813 - 18
3636(chain C and resid 19:24)CR19 - 2419 - 24
3737(chain C and resid 25:30)CR25 - 3025 - 30
3838(chain C and resid 31:37)CR31 - 3731 - 37
3939(chain C and resid 38:47)CR38 - 4738 - 47
4040(chain C and resid 48:52)CR48 - 5248 - 52
4141(chain C and resid 53:63)CR53 - 6353 - 63
4242(chain C and resid 64:69)CR64 - 6964 - 69
4343(chain C and resid 70:76)CR70 - 7670 - 76
4444(chain D and resid 1:5)DT1 - 51 - 5
4545(chain D and resid 6:11)DT6 - 116 - 11
4646(chain D and resid 12:19)DT12 - 1912 - 19
4747(chain D and resid 20:25)DT20 - 2520 - 25
4848(chain D and resid 26:31)DT26 - 3126 - 31
4949(chain D and resid 32:37)DT32 - 3732 - 37
5050(chain D and resid 38:43)DT38 - 4338 - 43
5151(chain D and resid 44:55)DT44 - 5544 - 55
5252(chain D and resid 56:63)DT56 - 6356 - 63
5353(chain D and resid 64:68)DT64 - 6864 - 68
5454(chain D and resid 69:76)DT69 - 7669 - 76
5555(chain E and resid 1:7)EV1 - 71 - 7
5656(chain E and resid 8:13)EV8 - 138 - 13
5757(chain E and resid 14:18)EV14 - 1814 - 18
5858(chain E and resid 19:30)EV19 - 3019 - 30
5959(chain E and resid 31:37)EV31 - 3731 - 37
6060(chain E and resid 38:43)EV38 - 4338 - 43
6161(chain E and resid 44:49)EV44 - 4944 - 49
6262(chain E and resid 50:54)EV50 - 5450 - 54
6363(chain E and resid 55:63)EV55 - 6355 - 63
6464(chain E and resid 64:70)EV64 - 7064 - 70
6565(chain E and resid 71:76)EV71 - 7671 - 76
6666(chain F and resid 1:7)FY1 - 71 - 7
6767(chain F and resid 8:13)FY8 - 138 - 13
6868(chain F and resid 14:20)FY14 - 2014 - 20
6969(chain F and resid 21:29)FY21 - 2921 - 29
7070(chain F and resid 30:34)FY30 - 3430 - 34
7171(chain F and resid 35:40)FY35 - 4035 - 40
7272(chain F and resid 41:45)FY41 - 4541 - 45
7373(chain F and resid 46:51)FY46 - 5146 - 51
7474(chain F and resid 52:57)FY52 - 5752 - 57
7575(chain F and resid 58:70)FY58 - 7058 - 70
7676(chain F and resid 71:76)FY71 - 7671 - 76

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