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- PDB-8eaz: HOIL-1/E2-Ub/Ub transthiolation complex -

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Basic information

Entry
Database: PDB / ID: 8eaz
TitleHOIL-1/E2-Ub/Ub transthiolation complex
Components
  • RanBP-type and C3HC4-type zinc finger-containing protein 1
  • Ubiquitin
  • Ubiquitin-conjugating enzyme E2 L3
KeywordsLIGASE / LUBAC / ubiquitin / transthiolation / 2Zn-6Cys ZF / RBR
Function / homology
Function and homology information


protein linear polyubiquitination / LUBAC complex / cell cycle phase transition / ubiquitin-protein transferase activator activity / RBR-type E3 ubiquitin transferase / negative regulation of necroptotic process / ubiquitin ligase activator activity / protein K11-linked ubiquitination / positive regulation of extrinsic apoptotic signaling pathway / TNFR1-induced proapoptotic signaling ...protein linear polyubiquitination / LUBAC complex / cell cycle phase transition / ubiquitin-protein transferase activator activity / RBR-type E3 ubiquitin transferase / negative regulation of necroptotic process / ubiquitin ligase activator activity / protein K11-linked ubiquitination / positive regulation of extrinsic apoptotic signaling pathway / TNFR1-induced proapoptotic signaling / positive regulation of protein targeting to mitochondrion / cellular response to glucocorticoid stimulus / E2 ubiquitin-conjugating enzyme / cellular response to steroid hormone stimulus / : / ubiquitin conjugating enzyme activity / ubiquitin ligase complex / Maturation of protein E / Maturation of protein E / ER Quality Control Compartment (ERQC) / Myoclonic epilepsy of Lafora / FLT3 signaling by CBL mutants / IRAK2 mediated activation of TAK1 complex / Prevention of phagosomal-lysosomal fusion / Alpha-protein kinase 1 signaling pathway / Glycogen synthesis / IRAK1 recruits IKK complex / IRAK1 recruits IKK complex upon TLR7/8 or 9 stimulation / Endosomal Sorting Complex Required For Transport (ESCRT) / Membrane binding and targetting of GAG proteins / Negative regulation of FLT3 / Regulation of TBK1, IKKε (IKBKE)-mediated activation of IRF3, IRF7 / PTK6 Regulates RTKs and Their Effectors AKT1 and DOK1 / Regulation of TBK1, IKKε-mediated activation of IRF3, IRF7 upon TLR3 ligation / Constitutive Signaling by NOTCH1 HD Domain Mutants / 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 / Downregulation of ERBB4 signaling / Regulation of FZD by ubiquitination / APC-Cdc20 mediated degradation of Nek2A / p75NTR recruits signalling complexes / 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 / protein sequestering activity / Regulation of pyruvate metabolism / NF-kB is activated and signals survival / Regulation of innate immune responses to cytosolic DNA / Pexophagy / Downregulation of ERBB2:ERBB3 signaling / NRIF signals cell death from the nucleus / VLDLR internalisation and degradation / Regulation of PTEN localization / Activated NOTCH1 Transmits Signal to the Nucleus / Regulation of BACH1 activity / Synthesis of active ubiquitin: roles of E1 and E2 enzymes / MAP3K8 (TPL2)-dependent MAPK1/3 activation / Translesion synthesis by REV1 / TICAM1, RIP1-mediated IKK complex recruitment / Translesion synthesis by POLK / InlB-mediated entry of Listeria monocytogenes into host cell / Activation of IRF3, IRF7 mediated by TBK1, IKKε (IKBKE) / JNK (c-Jun kinases) phosphorylation and activation mediated by activated human TAK1 / Downregulation of TGF-beta receptor signaling / ubiquitin binding / Josephin domain DUBs / positive regulation of protein ubiquitination / Translesion synthesis by POLI / Gap-filling DNA repair synthesis and ligation in GG-NER / IKK complex recruitment mediated by RIP1 / Regulation of activated PAK-2p34 by proteasome mediated degradation / PINK1-PRKN Mediated Mitophagy / TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) / TNFR1-induced NF-kappa-B signaling pathway / Autodegradation of Cdh1 by Cdh1:APC/C / TCF dependent signaling in response to WNT / APC/C:Cdc20 mediated degradation of Securin / Regulation of NF-kappa B signaling / N-glycan trimming in the ER and Calnexin/Calreticulin cycle / Asymmetric localization of PCP proteins / activated TAK1 mediates p38 MAPK activation / Ubiquitin-dependent degradation of Cyclin D / SCF-beta-TrCP mediated degradation of Emi1 / NIK-->noncanonical NF-kB signaling / TNFR2 non-canonical NF-kB pathway / AUF1 (hnRNP D0) binds and destabilizes mRNA / Regulation of signaling by CBL / NOTCH3 Activation and Transmission of Signal to the Nucleus / Negative regulators of DDX58/IFIH1 signaling / Vpu mediated degradation of CD4 / Assembly of the pre-replicative complex / Ubiquitin-Mediated Degradation of Phosphorylated Cdc25A / Negative regulation of FGFR3 signaling / Deactivation of the beta-catenin transactivating complex / Fanconi Anemia Pathway / Peroxisomal protein import / Degradation of DVL
Similarity search - Function
: / : / : / LUBAC thetering domain / : / Zinc finger, RING-type, eukaryotic / RING-type zinc-finger / TRIAD supradomain / TRIAD supradomain profile. / : ...: / : / : / LUBAC thetering domain / : / Zinc finger, RING-type, eukaryotic / RING-type zinc-finger / TRIAD supradomain / TRIAD supradomain profile. / : / Zinc finger domain / Ubiquitin Conjugating Enzyme / Ubiquitin Conjugating Enzyme / Zinc finger RanBP2 type profile. / Zinc finger, RanBP2-type superfamily / Zinc finger RanBP2-type signature. / Zinc finger, RanBP2-type / Ubiquitin-conjugating enzyme, active site / Ubiquitin-conjugating (UBC) active site signature. / Ubiquitin-conjugating enzyme E2 / Ubiquitin-conjugating enzyme / Ubiquitin-conjugating (UBC) core domain profile. / Ubiquitin-conjugating enzyme E2, catalytic domain homologues / Ubiquitin-conjugating enzyme/RWD-like / Zinc finger, RING-type, conserved site / Zinc finger RING-type signature. / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1 / Ring finger / Zinc finger RING-type profile. / Zinc finger, RING-type / : / Ubiquitin domain signature. / Ubiquitin conserved site / Ubiquitin domain / Ubiquitin-like (UB roll) / Ubiquitin family / Ubiquitin homologues / Ubiquitin domain profile. / Ubiquitin-like domain / Zinc finger, RING/FYVE/PHD-type / Ubiquitin-like domain superfamily / Roll / Alpha Beta
Similarity search - Domain/homology
Polyubiquitin-C / Ubiquitin-conjugating enzyme E2 L3 / RanBP-type and C3HC4-type zinc finger-containing protein 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.08 Å
AuthorsWang, X.S. / Cotton, T.R. / Lechtenberg, B.C.
Funding support Australia, 1items
OrganizationGrant numberCountry
National Health and Medical Research Council (NHMRC, Australia)GNT1182757 Australia
Citation
Journal: Nat Commun / Year: 2023
Title: The unifying catalytic mechanism of the RING-between-RING E3 ubiquitin ligase family.
Authors: Wang, X.S. / Cotton, T.R. / Trevelyan, S.J. / Richardson, L.W. / Lee, W.T. / Silke, J. / Lechtenberg, B.C.
#1: Journal: Biorxiv / Year: 2022
Title: The unifying catalytic mechanism of the RING-between-RING E3 ligase family
Authors: Wang, X.S. / Cotton, T.R. / Trevelyan, S.J. / Richardson, L.W. / Lee, W.T. / Silke, J. / Lechtenberg, B.C.
History
DepositionAug 30, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 18, 2023Provider: repository / Type: Initial release
Revision 1.1Oct 25, 2023Group: 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: RanBP-type and C3HC4-type zinc finger-containing protein 1
B: RanBP-type and C3HC4-type zinc finger-containing protein 1
C: Ubiquitin-conjugating enzyme E2 L3
D: Ubiquitin-conjugating enzyme E2 L3
E: Ubiquitin
F: Ubiquitin
G: Ubiquitin
H: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)135,01722
Polymers134,1018
Non-polymers91614
Water1448
1
A: RanBP-type and C3HC4-type zinc finger-containing protein 1
C: Ubiquitin-conjugating enzyme E2 L3
E: Ubiquitin
G: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)67,50811
Polymers67,0514
Non-polymers4587
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: RanBP-type and C3HC4-type zinc finger-containing protein 1
D: Ubiquitin-conjugating enzyme E2 L3
F: Ubiquitin
H: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)67,50811
Polymers67,0514
Non-polymers4587
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)83.953, 95.478, 115.006
Angle α, β, γ (deg.)90.000, 110.575, 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 266 through 510 or resid 1001 through 1007))
d_2ens_1chain "B"
d_1ens_2chain "C"
d_2ens_2chain "D"
d_1ens_3(chain "E" and resid 1 through 75)
d_2ens_3(chain "F" and resid 1 through 75)
d_3ens_3chain "G"
d_4ens_3(chain "H" and resid 1 through 75)

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1VALHISA10 - 254
d_12ens_1ZNZNB
d_13ens_1ZNZNC
d_14ens_1ZNZND
d_15ens_1ZNZNE
d_16ens_1ZNZNF
d_17ens_1ZNZNG
d_21ens_1VALHISI1 - 245
d_22ens_1ZNZNJ
d_23ens_1ZNZNK
d_24ens_1ZNZNL
d_25ens_1ZNZNM
d_26ens_1ZNZNN
d_27ens_1ZNZNO
d_11ens_2ALAVALQ1 - 152
d_21ens_2ALAVALR1 - 152
d_11ens_3METGLYS1 - 75
d_21ens_3METGLYT1 - 75
d_31ens_3METGLYU1 - 75
d_41ens_3METGLYV1 - 75

NCS ensembles :
ID
ens_1
ens_2
ens_3

NCS oper:
IDCodeMatrixVector
1given(0.70999148393, -0.0651406211065, -0.70119098128), (-0.0694122145536, -0.997337236382, 0.0223692064438), (-0.700781019447, 0.0327892727583, -0.712622499206)9.23543856975, -19.3324423388, 24.7845551981
2given(0.716871124806, -0.0786542741407, -0.692754859657), (-0.0843470293583, -0.996102049768, 0.0258124986568), (-0.692084799037, 0.0399275795395, -0.720711051209)9.42950167926, -19.5465832875, 25.0268212813
3given(0.7275051433, -0.0530115491658, -0.68405119847), (-0.0528974614976, -0.998376733975, 0.0211129255302), (-0.684060030289, 0.0208248100201, -0.729128385298)9.89893113292, -18.8373555733, 25.1243459151
4given(-0.682176786498, -0.458973966549, 0.569190416287), (0.505464347648, 0.266468073898, 0.820670798097), (-0.528337605343, 0.847548030275, 0.0502166422329)-78.1190103514, -26.0362299876, 0.214807062709
5given(-0.128691286039, -0.936958770175, 0.324879694486), (-0.445992721192, -0.23792099916, -0.86283491515), (0.885736442482, -0.255933313874, -0.387258432197)-44.3289734595, 12.2773856435, 78.9264618716

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Components

#1: Protein RanBP-type and C3HC4-type zinc finger-containing protein 1 / HBV-associated factor 4 / Heme-oxidized IRP2 ubiquitin ligase 1 / HOIL-1 / Hepatitis B virus X- ...HBV-associated factor 4 / Heme-oxidized IRP2 ubiquitin ligase 1 / HOIL-1 / Hepatitis B virus X-associated protein 4 / RING finger protein 54 / RING-type E3 ubiquitin transferase HOIL-1 / Ubiquitin-conjugating enzyme 7-interacting protein 3


Mass: 31770.006 Da / Num. of mol.: 2 / Mutation: C460A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: RBCK1, C20orf18, RNF54, UBCE7IP3, XAP3, XAP4 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q9BYM8
#2: Protein Ubiquitin-conjugating enzyme E2 L3 / E2 ubiquitin-conjugating enzyme L3 / L-UBC / UbcH7 / Ubiquitin carrier protein L3 / Ubiquitin- ...E2 ubiquitin-conjugating enzyme L3 / L-UBC / UbcH7 / Ubiquitin carrier protein L3 / Ubiquitin-conjugating enzyme E2-F1 / Ubiquitin-protein ligase L3


Mass: 18126.848 Da / Num. of mol.: 2 / Mutation: C86K
Source method: isolated from a genetically manipulated source
Details: The K86 residue forms an isopeptide bond with the C-terminus of ubiquitin.
Source: (gene. exp.) Homo sapiens (human) / Gene: UBE2L3, UBCE7, UBCH7 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P68036
#3: Protein
Ubiquitin


Mass: 8576.831 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Details: The C-terminus of ubiquitin in chains E and F is covalently linked to the UbcH7 K86 side-chains in chains C and D, respectively. Ubiquitin in chains G,H: SDS-PAGE analysis shows that the ...Details: The C-terminus of ubiquitin in chains E and F is covalently linked to the UbcH7 K86 side-chains in chains C and D, respectively. Ubiquitin in chains G,H: SDS-PAGE analysis shows that the crystals contain a mixture of mono-ubiquitin and M1-linked di-ubiquitin. Clear density is visible for two mono-ubiquitin molecules only.
Source: (gene. exp.) Homo sapiens (human) / Gene: UBC / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P0CG48
#4: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: Zn
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 8 / 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: 3.22 Å3/Da / Density % sol: 61.78 %
Crystal growTemperature: 298 K / Method: vapor diffusion, sitting drop / pH: 6.2
Details: 28% PEG smear broad, 0.2 M sodium chloride, 0.1 M sodium phosphate, pH 6.2

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.9537 Å
DetectorType: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Sep 27, 2021
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9537 Å / Relative weight: 1
ReflectionResolution: 3.08→47.74 Å / Num. obs: 31532 / % possible obs: 99.5 % / Redundancy: 3.5 % / Biso Wilson estimate: 86.12 Å2 / CC1/2: 0.986 / Rmerge(I) obs: 0.23 / Χ2: 0.95 / Net I/σ(I): 4.3
Reflection shellResolution: 3.08→3.25 Å / Redundancy: 3.6 % / Rmerge(I) obs: 2.624 / Mean I/σ(I) obs: 0.9 / Num. unique obs: 4460 / CC1/2: 0.397 / Χ2: 0.97 / % possible all: 96.9

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Processing

Software
NameVersionClassification
XDSVERSION Feb 5, 2021data reduction
Aimless0.7.4data scaling
PHASER2.8.3phasing
Coot0.9.6model building
PHENIX1.19.2_4158refinement
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 4Q5E, AlphaFold

4q5e


Resolution: 3.08→47.74 Å / SU ML: 0.5503 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 33.2876
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2664 1484 4.74 %
Rwork0.2316 29849 -
obs0.2333 31333 99.07 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 110.79 Å2
Refinement stepCycle: LAST / Resolution: 3.08→47.74 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8791 0 14 8 8813
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00178959
X-RAY DIFFRACTIONf_angle_d0.462512105
X-RAY DIFFRACTIONf_chiral_restr0.04131337
X-RAY DIFFRACTIONf_plane_restr0.00371592
X-RAY DIFFRACTIONf_dihedral_angle_d3.65771186
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.586153349169
ens_2d_2BX-RAY DIFFRACTIONTorsion NCS0.680558210059
ens_3d_2CX-RAY DIFFRACTIONTorsion NCS0.837091174092
ens_3d_3DX-RAY DIFFRACTIONTorsion NCS1.41107410184
ens_3d_4EX-RAY DIFFRACTIONTorsion NCS1.32995744219
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.08-3.180.45491260.42082552X-RAY DIFFRACTION93.15
3.18-3.290.39121260.36632686X-RAY DIFFRACTION99.26
3.3-3.430.35261230.32712734X-RAY DIFFRACTION99.44
3.43-3.580.35511570.30572680X-RAY DIFFRACTION99.54
3.58-3.770.30981540.25682691X-RAY DIFFRACTION99.72
3.77-4.010.29221080.23672769X-RAY DIFFRACTION99.83
4.01-4.320.27611090.21812730X-RAY DIFFRACTION99.61
4.32-4.750.22171270.19292738X-RAY DIFFRACTION99.86
4.75-5.440.24051330.19382742X-RAY DIFFRACTION99.79
5.44-6.850.25161570.21942746X-RAY DIFFRACTION99.9
6.85-47.740.20441640.18842781X-RAY DIFFRACTION99.66
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)
10.0850941503842-0.0007747795404410.02023895256440.2837917924650.1434411614950.0746410381846-1.025533973970.9871776036230.1496822259041.31545121635-0.0952006590832-2.44166932120.442020439244-0.1289709150770.00312421534392.153900727680.314150874548-0.186023943311.6049959495-0.1324819767581.3322167372-17.2843321486-26.7921640257-38.4110864326
20.7622365665811.076631648710.05004720047263.027250120660.9723531665770.9432260387040.5351269382130.720574975661-0.531546625962-1.32956701961-0.290125641561-0.384404187719-0.3478295768510.02691215362922.23623861040.6945297017880.3433078886290.3731465591651.58139505631-0.3817024413091.10624460382-7.82606829538-26.8683669557-20.553965783
31.12681540889-0.3568629995040.3553142862440.3011197344020.1908170990981.35167026060.2963682533910.598093170046-0.0349460970901-0.5723670209520.06873692075890.1551695524410.2332094433140.8081719357960.0002174509916161.163517869450.298004561201-0.07532493861581.35694017816-0.1636747115140.94671886999-14.4251913978-24.1813059507-14.175493108
41.937222268211.365551930281.765983566994.11988543619-1.824617382264.5698014877-0.0541519474927-0.464571322205-0.0883544804673-0.1078336135460.0960309265202-0.09131956918971.04299629657-0.0724893374090.002571960617351.60264296282-0.0221337748048-0.205025207330.552744557927-0.1345427680310.95130104797-37.1608152643-34.21769347021.80659675462
50.0278088911964-0.08338808710540.04493815052820.1622902588720.02563928228790.9523268470040.0249866200658-0.3413502728410.2471845035310.8103784455280.02635478458690.1788081818861.21369342427-1.3594762276-0.01215904445861.63088479394-0.129317244037-0.1732174549730.8770676995470.1122804905380.925780004965-45.7300382605-38.824130793220.9789660382
62.568746142741.537386454082.099334941574.161432542220.4906256754391.839463886490.0375235627085-0.217526798534-0.008487379201970.09489759783680.3078496511690.0211400643353-0.0037456892668-0.09945290579080.0008921269710380.8210187879390.01909789949340.01620003402480.5108547218790.002718746573680.76334376718-29.7784588006-16.954770089515.0485454148
71.03907376094-0.203827896331-0.2658014488321.40159657963-0.02856401044990.781679101718-0.1268211427420.5282022858750.506426605055-0.248354657948-0.4099743004980.117006739588-0.09719189531020.355808933068-0.0007603071740381.285600357030.176002669077-0.1785091485830.776292656169-0.00955715586750.934990030443-32.7101084856-2.367967413534.36966648032
80.615234305143-0.3683402840710.1399816629032.29138706419-0.8015695886651.07699667430.1515948241390.851438119040.08716913679020.732934319885-0.209655424317-0.440395736617-0.1106467898290.9435587208880.008191176820590.848318491154-0.312373948805-0.1358022078511.80179792029-0.2610253088781.3009807275719.19698965557.2409589880245.9010527702
91.36030581589-0.22042948871-0.7225749461961.239525445060.129729845651.946552766690.1569504675430.104180102562-0.1492709504361.298314981690.126648635961-0.3791698634930.233344377640.8191392422670.0006733859792751.02329013536-0.0822787809431-0.2327664828911.089903396810.01320948975350.9973499617057.85733359295.2258765243543.5782612937
102.62478561717-2.465969532920.5365125888582.738772978270.5932189545622.38183027917-0.06779355001770.2832388254480.4431133137220.0765243767122-0.1063479898390.221416238139-0.181588579506-0.0500417328459-0.00039062969221.40118017183-0.154678516686-0.1525453057110.665660540791-0.04777031641450.844089824234-11.278594243515.286437659945.4864907362
112.031442310260.0182378611481.566036155332.01115461049-0.3318498016251.83465998309-0.263138256169-0.440429054140.1846971726630.01695260559020.05129651457960.248167767389-0.314746614714-0.670905728409-0.0003535353716891.40911219735-0.0042069116486-0.1970059047910.7970373040030.009087390258790.979902347092-30.135704571718.242272638441.8941302779
121.066868522241.73417719567-0.8401278603714.958424057810.6439606451232.442692172840.0615726128144-0.33571630423-0.009409989890190.727092645032-0.0646745825038-0.00449710447389-0.2265991874940.0580552411128-0.000440903282980.8540641533350.0317615291877-0.05553016565470.6372210362320.04443896112920.791177511965-17.4946756892-7.7364797672940.2237986723
130.492272566456-0.0236654831535-0.3208168549480.0385406156661-0.05729059372080.336114839084-0.408813693919-0.0612001118835-0.7805651940730.09239050214630.008372278396520.3052644163560.1722467268480.194463980797-2.882870585340.03367956799920.6927755476840.3350670775491.59348354849-0.3928307044670.7181177903834.30311593012-17.2376354097-4.7173216105
140.06590202007690.5122319880660.08271275358944.046115272590.6550829240720.105532363676-0.378475461341-0.168141238671-0.791171782644-0.8944108460771.83919781082-1.93382213298-0.3117573559560.6332162252930.1346222077891.400376265960.112989856853-0.1823337661372.31553926662-0.4096507520261.109729028345.84964214375-4.489059011810.412393752221
151.90195005122-0.5934217482420.1871849925984.15030053275-1.225961813922.639178059020.1927727628820.291549759372-0.2745008464050.461634683735-0.279508263114-0.294245966488-0.2049982030731.7533150726-0.2486046931240.617359725462-0.07428169748350.02342029881681.33280341851-0.1007947459280.523531960404-2.88489285989-6.741151807355.11112608337
160.6062633812680.1459277254870.1419315794551.4829540138-0.8026537068730.5420233371890.118330593788-0.174876070254-0.4599501648980.603600619830.03507286980210.470955414155-0.0995255653840.919209087151-0.0003836045603911.115606702730.00985915427292-0.002205875920641.08635871164-0.03135320313540.910195272028-12.9339967909-7.214307621011.89453807562
170.4810903206690.149900972439-0.3669135384252.15541408157-0.9114714640260.841635182034-0.0895316573781.22876562624-0.358624171223-1.17268768227-0.04908019083520.802584332982-0.6710729538830.731130995424-0.008968031801021.344849542-0.183556392394-0.07735412824161.07090279662-0.02737700651870.618411240434-13.39188784753.317672297421.24083731761
181.182754183931.904109778420.130825762113.05601780470.216164065762-0.006934983416440.3522114482920.6519574776260.5540550176530.0856904235726-0.355168294250.65495094858-1.62414516433-0.0292660673407-0.2594851113551.36591093157-0.2796627875020.06726595805661.438223610250.03781944705330.544310746777-4.1211928486111.82323197718.62134268685
190.565077224969-0.147116683549-0.09863742939621.478996723261.700620512042.036977475490.1167482474960.718072579955-0.1022849842810.507815871132-0.67240417867-0.4437712975880.816807810149-0.489508722239-0.01896396919830.804824311741-0.09909240932140.0611028329152.012235263430.0405289495160.97788888681617.0845325392-2.9466439930124.4745051898
201.47718312336-0.2125662875520.6043139497861.723475880152.223115227243.45334095259-0.01761515659150.7997812185360.149475813445-0.677013121570.289253179025-0.316558885087-0.5672907065791.29909381720.1410980269860.6393694728260.334554591277-0.136910324861.37609049639-0.303462687280.8264885017919.52987185717-15.968802538121.1079589072
210.245061179988-0.3577422648950.2826878244361.918124053631.863840444763.836037400530.2114191534790.8892720201880.451071242954-0.245179706052-0.5374514922550.161618215159-0.87818258861.17110966184-0.019874143180.863533971997-0.0332298260809-0.06539741546981.43714524782-0.05200970340290.830440470124.10723143215-5.3785566458425.4740873561
220.706979292682-1.4955208471-1.80832715983.163106764383.830337839464.62353843971-0.2878864926010.594699255135-0.3964252071550.62729712771.01533676791-0.6106590679081.104654900491.10772209897-0.007621961059970.815553531313-0.131736066396-0.3294889403151.21699399786-0.1706341352810.844041883693-2.22844712573-17.363432555722.51436169
231.40241812949-0.776685095638-1.45698198681.217077257860.2956526606991.792508163730.358871132732-0.3320172774220.304675074357-0.536160432779-0.284889336311-0.234774395452-0.3479508936220.517454325668-7.52950908704E-51.046024541050.204263813462-0.1350963460851.17825224992-0.1290594945450.959526581126-0.608219479145-11.144934467732.4375731262
240.9145456838721.671571862970.7208634286713.675036729420.5317932751762.280994778760.9927495932340.10595505558-1.204437343850.747249873267-0.792855277391-0.7390883281870.84856282554-0.2891738901-0.8257755409380.9636065382140.24313542523-0.6252719275081.88564703466-0.5350253741491.074650123768.11205039542-16.261872470831.0108638576
254.865361670821.48202118973-0.008104984493790.715711680758-0.4326908163220.7572433054270.102459856869-2.01959519261-0.7790248218621.0675117732-0.3108942675340.1422911165110.5568194897870.111543684025-0.1038653029931.447233629160.274029987462-0.423335188930.94845920095-0.06116896388541.05344055871-7.17450778001-25.200345210235.1321950283
260.16571163491-0.9407796135190.3254318290955.53809214249-1.904631276040.6575478230870.166611106352-0.0769208001215-0.1399673628050.2081190205020.575443246261.26258122033-0.119612064976-0.327602420050.7042524711661.150169693920.343818537453-0.4608211259891.228432398-0.3691189410440.854827861792-0.363657415108-30.596896798222.1356864618
270.8401727220550.637734366459-0.1255594063680.590753945731-0.444335510851.039495339011.107716259630.437234596722-0.720955204668-0.745055303499-0.181292679179-0.1430890794351.302045500681.098075313040.0009846477110341.75153796830.180375940687-0.3952484908660.837929163699-0.1060664185971.13991187077-24.3832249523-37.684533139315.4774736387
280.696348485003-0.0896823823355-0.6326139960330.2839161309520.5260187170482.09767564648-0.190538052193-0.2614165303340.3148368712850.504675415528-0.2630892328470.0793953694404-0.8336798974910.686887263058-0.01742446358721.234455656710.255922202265-0.3914352133120.705607554128-0.1667205503940.938348482525-19.420722399-29.951859425212.5890495453
291.30055315295-0.684654306179-1.007310850090.3475984827170.5248027470081.06866058635-0.3231080159430.1346737256320.0952955620023-0.306760091050.5492451601250.1257239886940.7429217442060.1200501453370.0001975846655411.547302758180.212692844856-0.3175637714180.830117132224-0.08849639182881.05897665503-19.4405729333-33.496545803524.9983061498
301.36434576447-2.290998239932.2265746253.79715284836-3.720030070823.664185965520.4907653283960.430243160787-0.3599170333740.497706195906-0.909009859773-0.4347403365250.6995189113720.650849788410.139229329141.140286603670.0457865066984-0.07630436176550.45733285066-0.06837706836860.794549784305-23.8602339399-22.430187997613.9887834211
311.066345908880.221993400552-0.1665987592010.6371450372130.45846875210.762487742967-0.9182885633910.6053698170410.311933533328-0.8967894807470.6861719488830.326828439327-0.5801268306650.03736230773660.001030134228741.58045324133-0.233179448139-0.1492713866870.8422391347150.06126400924240.999203491524-16.485506056620.406625969129.8325344817
321.397456946840.0319690450115-0.5955896201090.419316948651-0.7613441611511.49390689301-0.1432802403070.0443891137091-0.476868284812-0.143020215530.02348541343360.0823451445290.156324265920.881176056006-5.87274754393E-50.971576100119-0.203691740554-0.1135498717590.6816578891890.1112796098940.622138213536-12.845830609411.89002489927.4249727574
332.534458468680.306076063432-1.345346691271.930155355730.2022109893660.813178247705-0.06121116130250.9975231454630.182383210053-1.520849447310.1035927191330.372627520448-0.542423137039-0.396240732983-0.2497470493361.52225063261-0.142946146626-0.205086939430.4853118399320.0343041544970.880559843162-19.170330160416.179376063622.1506236347
340.2350343623820.112593661586-0.0702551934840.3433286489270.0661521778520.1782569097581.10337790602-0.2143944826350.757607639369-0.7085230978370.190359326951-0.566688386268-0.2001329473560.557739100372-1.58057389905E-61.30546617496-0.321346455580.05211324924881.2397589932-0.2618261803271.0426425777-11.0858243602-2.5329143910730.9965520372
350.524375253781-0.804836169820.3959510941641.78413286692-1.712008132.619800707360.7632870727560.2431584718250.190868538586-0.652448078249-0.283298392685-0.817089238250.8496248974681.324782596560.2045648743931.965040633330.0713073531765-0.636448242160.8751381727480.01550909449781.30401285098-32.5825038588-35.938613782-17.1869456098
362.680461538861.195054325010.4053346576461.269449531180.0302968720720.0907643645918-1.09649552292-0.17642345852-0.3286376563120.09792067178530.2586774414920.4416778718670.07760331751840.00277912256803-0.5822982080782.292854489750.458082754529-0.274746586810.774633497344-0.1408499946810.975259676576-35.216394139-40.1157229359-14.1334081837
370.580916867874-0.1728519173270.1709631328130.237168420906-0.3206826997390.424616803654-0.1578168015361.20332233464-0.355320885229-0.4553088392740.9685819437150.5183463241840.796179284427-1.4513942738-0.001329940947821.77467386103-0.104575704839-0.201890484821.015202263170.02940369366051.1972290067-42.4061868056-32.6942968968-20.2072669107
381.999463291382.26513478661-0.3293127654482.703200012191.1871888740.7336980063260.712373973499-0.5950931114410.57296231169-1.48793975858-0.4085196768230.3133299019341.67427921403-0.6386720889910.162386995611.65223409377-0.216092026102-0.2062219615420.7257136502440.09824098882870.742264612203-45.7023622231-32.871103997-9.99252021094
391.926731885-0.988444042502-0.4496370704951.36155020628-0.3388816618980.475904331912-1.1840611814-0.34801568793-0.2308616178470.202132337863-0.1683857625660.331765240664-0.229494888065-0.377923876828-0.1510351903731.08488683791-0.177349688319-0.1123805848240.564315576599-0.108634211920.978291337558-38.4799690713-23.083657301-12.2673984775
400.297687644697-0.156013662624-0.08403460839230.08440184679070.04707042179210.03494821681291.043815814640.5817100123250.642803951190.2509837569731.173042811380.0754205614454-0.8312548497870.05783798988980.008276145328281.09958566912-0.133948243473-0.05729614237211.08311716846-0.03385726470951.04216475084-36.1239626723-22.1249386987-19.2005835339
411.694288262270.2817405371571.501624507852.81248161265-1.798420770162.79299814244-0.559574668968-0.3199306407950.0127490428749-0.9355425752610.1048488785370.2433030795610.8760697889040.913134217160.001018949693661.28731527339-0.0278087998015-0.1379640880240.924031486258-0.06764219613650.874340301123-37.5647943421-31.2134717109-11.4784690138
420.09705329648130.389595772404-0.4988089868189.51526246968-9.198120616249.077603797990.644598802001-0.2244968899190.08117721819730.128534941077-0.999036882791-0.9627819595490.3522330705191.74081163105-1.548515087331.545411357060.052525221579-0.3981002162210.781215264212-0.2558255214320.9906790617310.32378176707818.80780632758.5123379279
430.5530900180710.667772869771-0.2817689666640.807222589153-0.3462130477110.1457069011750.141596521696-0.2890889001490.496969064899-0.0121599721772-0.2976739727990.370792646157-0.3456655665830.17609903487-0.9166336172121.46892702396-0.522252584059-0.7013148781090.41350029670.02601830496611.07795853467-3.4172299997623.094732008757.9568833373
440.07379065278660.013434938767-0.01328925487310.1085357664220.7208278906664.939380831240.115357973576-0.754681040123-0.1687035714711.085639627720.3926038306830.198523701906-0.05959336527981.20475050030.07875543581361.808353925510.150400402626-0.6409187197670.7725574136590.001459675544651.258353674961.8088668470811.176197148468.3614303314
451.30810046604-0.323481609821-0.3991989588750.09346743520220.06560305008360.218166017861-0.830441908354-1.7661207740.5258962916120.5835658964890.958873664044-0.797596027096-0.7137246083930.353349658726-0.008251523217621.269356941830.115958858432-0.220634002130.818958198371-0.1133561913181.09268217873-7.1838097480818.786332502767.2614596604
460.7860090958740.06921913967940.3758034408450.03674846414290.02423163511150.180002678938-1.579531030140.365472959640.08971865626211.944511782421.32846883371-0.4262031094510.337063973459-0.5008309581460.0005295973565341.8186040440.04779637044-0.2605769878810.776005324809-0.07937237634381.15019414782-13.900967351216.676724810262.6913206165
472.31389156968-2.693585302813.563704639684.36435129934-2.752931695317.131597382771.147714581780.2956936419270.1647778226090.3313683241750.174055512074-0.5916285939090.4859891406940.3136673485911.161592866231.076921654660.1402648492250.05179645231420.467387636538-0.3231849688010.970136563148-7.154733408437.4033044495954.6626383689
482.26896843999-1.798833877140.9900280016142.15122048568-1.237719391740.71459029659-0.487431432972-1.14868011788-1.409380415470.377514603777-0.3107660650171.29652208701-0.333452764849-1.06740788850.02093868574251.87149242687-0.009144158027940.01020248772561.02061581067-0.04130435079770.879255782971-8.71977003435.459331897964.3814143066
490.915938899176-0.775085273541-0.3820974484920.6346976166840.2276565424830.710962629198-0.857152723410.32636601580.4880259511670.3417477452230.368243602831-0.5421480753860.03081208980640.282215833413-0.002926457974561.78949647605-0.0358404038256-0.2668579031181.11643324296-0.07080295113520.958227584308-1.3574715575611.364112358.8435115224
502.994587653060.4347103149571.220210831460.577138210535-1.066036840893.48770356171-0.214812196093-0.09657447254130.04462811130610.4653740882530.192984349846-0.125765088225-0.280800020591-0.2598437604861.967799453891.86662290944-0.110465423927-0.401929558431.53777849688-0.6354924778240.721346750204-24.254951876115.782440057561.9662997098
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 257 through 268 )AA257 - 2681 - 12
22chain 'A' and (resid 269 through 288 )AA269 - 28813 - 32
33chain 'A' and (resid 289 through 346 )AA289 - 34633 - 90
44chain 'A' and (resid 347 through 399 )AA347 - 39991 - 143
55chain 'A' and (resid 400 through 425 )AA400 - 425144 - 169
66chain 'A' and (resid 426 through 478 )AA426 - 478170 - 222
77chain 'A' and (resid 479 through 510 )AA479 - 510223 - 254
88chain 'B' and (resid 266 through 305 )BI266 - 3051 - 40
99chain 'B' and (resid 306 through 346 )BI306 - 34641 - 81
1010chain 'B' and (resid 347 through 378 )BI347 - 37882 - 113
1111chain 'B' and (resid 379 through 440 )BI379 - 440114 - 175
1212chain 'B' and (resid 441 through 510 )BI441 - 510176 - 245
1313chain 'C' and (resid 2 through 17 )CQ2 - 171 - 16
1414chain 'C' and (resid 18 through 27 )CQ18 - 2717 - 26
1515chain 'C' and (resid 28 through 75 )CQ28 - 7527 - 74
1616chain 'C' and (resid 76 through 100 )CQ76 - 10075 - 99
1717chain 'C' and (resid 101 through 132 )CQ101 - 132100 - 131
1818chain 'C' and (resid 133 through 153 )CQ133 - 153132 - 152
1919chain 'D' and (resid 2 through 17 )DR2 - 171 - 16
2020chain 'D' and (resid 18 through 49 )DR18 - 4917 - 48
2121chain 'D' and (resid 50 through 66 )DR50 - 6649 - 65
2222chain 'D' and (resid 67 through 75 )DR67 - 7566 - 74
2323chain 'D' and (resid 76 through 100 )DR76 - 10075 - 99
2424chain 'D' and (resid 101 through 113 )DR101 - 113100 - 112
2525chain 'D' and (resid 114 through 132 )DR114 - 132113 - 131
2626chain 'D' and (resid 133 through 153 )DR133 - 153132 - 152
2727chain 'E' and (resid 1 through 22 )ES1 - 221 - 22
2828chain 'E' and (resid 23 through 45 )ES23 - 4523 - 45
2929chain 'E' and (resid 46 through 65 )ES46 - 6546 - 65
3030chain 'E' and (resid 66 through 76 )ES66 - 7666 - 76
3131chain 'F' and (resid 1 through 22 )FT1 - 221 - 22
3232chain 'F' and (resid 23 through 50 )FT23 - 5023 - 50
3333chain 'F' and (resid 51 through 71 )FT51 - 7151 - 71
3434chain 'F' and (resid 72 through 76 )FT72 - 7672 - 76
3535chain 'G' and (resid 1 through 7 )GU1 - 71 - 7
3636chain 'G' and (resid 8 through 16 )GU8 - 168 - 16
3737chain 'G' and (resid 17 through 34 )GU17 - 3417 - 34
3838chain 'G' and (resid 35 through 44 )GU35 - 4435 - 44
3939chain 'G' and (resid 45 through 54 )GU45 - 5445 - 54
4040chain 'G' and (resid 55 through 59 )GU55 - 5955 - 59
4141chain 'G' and (resid 60 through 75 )GU60 - 7560 - 75
4242chain 'H' and (resid 1 through 7 )HV1 - 71 - 7
4343chain 'H' and (resid 8 through 16 )HV8 - 168 - 16
4444chain 'H' and (resid 17 through 22 )HV17 - 2217 - 22
4545chain 'H' and (resid 23 through 34 )HV23 - 3423 - 34
4646chain 'H' and (resid 35 through 44 )HV35 - 4435 - 44
4747chain 'H' and (resid 45 through 49 )HV45 - 4945 - 49
4848chain 'H' and (resid 50 through 54 )HV50 - 5450 - 54
4949chain 'H' and (resid 55 through 71 )HV55 - 7155 - 71
5050chain 'H' and (resid 72 through 76 )HV72 - 7672 - 76

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