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- PDB-6z7v: Crystal structure of Mindy2 (C266A) in complex with Lys48 linked ... -

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Basic information

Entry
Database: PDB / ID: 6z7v
TitleCrystal structure of Mindy2 (C266A) in complex with Lys48 linked di-ubiquitin (K48-Ub2)
Components
  • Polyubiquitin-C
  • Ubiquitin carboxyl-terminal hydrolase MINDY-2
KeywordsHYDROLASE / CYSTEINE PROTEASE / ISOPEPTIDASE AND UBIQUITIN BINDING
Function / homology
Function and homology information


K11-linked polyubiquitin modification-dependent protein binding / K6-linked polyubiquitin modification-dependent protein binding / cysteine-type carboxypeptidase activity / K48-linked deubiquitinase activity / K48-linked polyubiquitin modification-dependent protein binding / K63-linked polyubiquitin modification-dependent protein binding / Maturation of protein E / Maturation of protein E / ER Quality Control Compartment (ERQC) / Myoclonic epilepsy of Lafora ...K11-linked polyubiquitin modification-dependent protein binding / K6-linked polyubiquitin modification-dependent protein binding / cysteine-type carboxypeptidase activity / K48-linked deubiquitinase activity / K48-linked polyubiquitin modification-dependent protein binding / K63-linked polyubiquitin modification-dependent protein binding / Maturation of protein E / Maturation of protein E / ER Quality Control Compartment (ERQC) / Myoclonic epilepsy of Lafora / FLT3 signaling by CBL mutants / Prevention of phagosomal-lysosomal fusion / IRAK2 mediated activation of TAK1 complex / Alpha-protein kinase 1 signaling pathway / Glycogen synthesis / IRAK1 recruits IKK complex / IRAK1 recruits IKK complex upon TLR7/8 or 9 stimulation / Membrane binding and targetting of GAG proteins / Endosomal Sorting Complex Required For Transport (ESCRT) / Regulation of TBK1, IKKε (IKBKE)-mediated activation of IRF3, IRF7 / Negative regulation of FLT3 / PTK6 Regulates RTKs and Their Effectors AKT1 and DOK1 / Regulation of TBK1, IKKε-mediated activation of IRF3, IRF7 upon TLR3 ligation / IRAK2 mediated activation of TAK1 complex upon TLR7/8 or 9 stimulation / Constitutive Signaling by NOTCH1 HD Domain Mutants / NOTCH2 Activation and Transmission of Signal to the Nucleus / TICAM1,TRAF6-dependent induction of TAK1 complex / TICAM1-dependent activation of IRF3/IRF7 / APC/C:Cdc20 mediated degradation of Cyclin B / Regulation of FZD by ubiquitination / Downregulation of ERBB4 signaling / p75NTR recruits signalling complexes / APC-Cdc20 mediated degradation of Nek2A / InlA-mediated entry of Listeria monocytogenes into host cells / TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling / TRAF6-mediated induction of TAK1 complex within TLR4 complex / Regulation of pyruvate metabolism / Regulation of innate immune responses to cytosolic DNA / NF-kB is activated and signals survival / Downregulation of ERBB2:ERBB3 signaling / Pexophagy / NRIF signals cell death from the nucleus / VLDLR internalisation and degradation / Regulation of PTEN localization / Activated NOTCH1 Transmits Signal to the Nucleus / Synthesis of active ubiquitin: roles of E1 and E2 enzymes / Regulation of BACH1 activity / MAP3K8 (TPL2)-dependent MAPK1/3 activation / TICAM1, RIP1-mediated IKK complex recruitment / Translesion synthesis by REV1 / Activation of IRF3, IRF7 mediated by TBK1, IKKε (IKBKE) / Translesion synthesis by POLK / InlB-mediated entry of Listeria monocytogenes into host cell / Downregulation of TGF-beta receptor signaling / Josephin domain DUBs / JNK (c-Jun kinases) phosphorylation and activation mediated by activated human TAK1 / Regulation of activated PAK-2p34 by proteasome mediated degradation / Translesion synthesis by POLI / IKK complex recruitment mediated by RIP1 / Gap-filling DNA repair synthesis and ligation in GG-NER / 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 / APC/C:Cdc20 mediated degradation of Securin / TCF dependent signaling in response to WNT / N-glycan trimming in the ER and Calnexin/Calreticulin cycle / Regulation of NF-kappa B signaling / Asymmetric localization of PCP proteins / Ubiquitin-dependent degradation of Cyclin D / SCF-beta-TrCP mediated degradation of Emi1 / NIK-->noncanonical NF-kB signaling / activated TAK1 mediates p38 MAPK activation / Negative regulators of DDX58/IFIH1 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 / Vpu mediated degradation of CD4 / Assembly of the pre-replicative complex / Ubiquitin-Mediated Degradation of Phosphorylated Cdc25A / Degradation of DVL / Deactivation of the beta-catenin transactivating complex / Negative regulation of FGFR3 signaling / Cdc20:Phospho-APC/C mediated degradation of Cyclin A / Dectin-1 mediated noncanonical NF-kB signaling / Fanconi Anemia Pathway / Peroxisomal protein import / Degradation of AXIN / Regulation of TNFR1 signaling / Negative regulation of FGFR2 signaling / Stabilization of p53 / Hh mutants are degraded by ERAD / Negative regulation of FGFR4 signaling / Downregulation of SMAD2/3:SMAD4 transcriptional activity / Activation of NF-kappaB in B cells / Negative regulation of FGFR1 signaling / EGFR downregulation / Degradation of GLI1 by the proteasome / Termination of translesion DNA synthesis
Similarity search - Function
MINDY deubiquitinase / MINDY deubiquitinase domain / MINDY deubiquitinase / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1 / : / Ubiquitin domain signature. / Ubiquitin conserved site / Ubiquitin domain / Ubiquitin-like (UB roll) / Ubiquitin family ...MINDY deubiquitinase / MINDY deubiquitinase domain / MINDY deubiquitinase / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1 / : / Ubiquitin domain signature. / Ubiquitin conserved site / Ubiquitin domain / Ubiquitin-like (UB roll) / Ubiquitin family / Ubiquitin homologues / Ubiquitin domain profile. / Ubiquitin-like domain / Ubiquitin-like domain superfamily / Roll / Alpha Beta
Similarity search - Domain/homology
: / Polyubiquitin-C / Ubiquitin carboxyl-terminal hydrolase MINDY-2
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.65 Å
AuthorsAbdul Rehman, S.A. / Lange, S.M. / Kulathu, Y.
Funding support United Kingdom, 2items
OrganizationGrant numberCountry
Medical Research Council (MRC, United Kingdom)MC_UU_12016/6 United Kingdom
European Research Council (ERC)677623 United Kingdom
CitationJournal: Mol.Cell / Year: 2021
Title: Mechanism of activation and regulation of deubiquitinase activity in MINDY1 and MINDY2.
Authors: Abdul Rehman, S.A. / Armstrong, L.A. / Lange, S.M. / Kristariyanto, Y.A. / Grawert, T.W. / Knebel, A. / Svergun, D.I. / Kulathu, Y.
History
DepositionJun 1, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 9, 2021Provider: repository / Type: Initial release
Revision 1.1Oct 13, 2021Group: Data collection / Database references
Category: citation / citation_author ...citation / citation_author / database_2 / database_PDB_rev / database_PDB_rev_record / pdbx_database_proc
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 1.2Nov 3, 2021Group: Data collection / Database references
Category: citation / database_PDB_rev ...citation / database_PDB_rev / database_PDB_rev_record / pdbx_database_proc
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3Jan 24, 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: Ubiquitin carboxyl-terminal hydrolase MINDY-2
B: Ubiquitin carboxyl-terminal hydrolase MINDY-2
C: Polyubiquitin-C
D: Polyubiquitin-C
E: Polyubiquitin-C
F: Polyubiquitin-C
G: Polyubiquitin-C
H: Polyubiquitin-C
I: Polyubiquitin-C
hetero molecules


Theoretical massNumber of molelcules
Total (without water)123,11416
Polymers122,3759
Non-polymers7397
Water68538
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: SAXS, Mindy1 and Mindy2 both are structurally identical. The SAXS measurements for Mindy2-Lys48 linked di-ubiquitin complex show it to be a dimer which consists of one molecule of Mindy2 ...Evidence: SAXS, Mindy1 and Mindy2 both are structurally identical. The SAXS measurements for Mindy2-Lys48 linked di-ubiquitin complex show it to be a dimer which consists of one molecule of Mindy2 and one polymer of ubiquitin (the individual chain of ubiquitin are covalently linked and are considered as a single molecule). This observation from MIndy2-Lys48 linked di-ubiquitin can be extrapolated onto Mindy1-Lys48 linked di-ubiquitin complex. Moreover, the structure-based mutational studies have validated the complex observed in the crystal structure.
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area16100 Å2
ΔGint-13 kcal/mol
Surface area42810 Å2
MethodPISA
Unit cell
Length a, b, c (Å)94.011, 117.597, 125.884
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab

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Components

#1: Protein Ubiquitin carboxyl-terminal hydrolase MINDY-2 / Deubiquitinating enzyme MINDY-2 / Protein FAM63B


Mass: 31168.389 Da / Num. of mol.: 2 / Mutation: C266A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: MINDY2, FAM63B, KIAA1164 / Production host: Escherichia coli (E. coli) / References: UniProt: Q8NBR6, ubiquitinyl hydrolase 1
#2: Protein
Polyubiquitin-C


Mass: 8576.831 Da / Num. of mol.: 7
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: UBC / Production host: Escherichia coli (E. coli) / References: UniProt: P0CG48
#3: Chemical
ChemComp-K / POTASSIUM ION


Mass: 39.098 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: K
#4: Chemical ChemComp-PG4 / TETRAETHYLENE GLYCOL


Mass: 194.226 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C8H18O5 / Comment: precipitant*YM
#5: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 38 / 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: 2.84 Å3/Da / Density % sol: 56.74 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, hanging drop / Details: 50 mM potassium phosphate monobasic, 14% PEG 8000

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID29 / Wavelength: 0.97625 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Nov 25, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97625 Å / Relative weight: 1
ReflectionResolution: 2.65→47.79 Å / Num. obs: 40463 / % possible obs: 98.4 % / Redundancy: 4.4 % / Biso Wilson estimate: 58.11 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.082 / Rpim(I) all: 0.044 / Rrim(I) all: 0.094 / Net I/σ(I): 11.8 / Num. measured all: 176139 / Scaling rejects: 4
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. measured allNum. unique obsCC1/2Rpim(I) allRrim(I) allNet I/σ(I) obs% possible all
2.65-2.764.50.6412037245690.7040.3360.7282.199.6
9.55-47.793.80.02335999350.9990.0120.02643.395.3

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
PHENIX1.19rc7_4070refinement
XDSdata reduction
Aimless0.7.4data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5JKN, 1UBQ

5jkn

1ubq


Resolution: 2.65→47.79 Å / SU ML: 0.3616 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 26.7096
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflectionSelection details
Rfree0.2543 2094 5.18 %RANDOM
Rwork0.2127 38315 --
obs0.2148 40409 98.01 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 69.59 Å2
Refinement stepCycle: LAST / Resolution: 2.65→47.79 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7919 0 43 38 8000
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00328092
X-RAY DIFFRACTIONf_angle_d0.581310993
X-RAY DIFFRACTIONf_chiral_restr0.04341305
X-RAY DIFFRACTIONf_plane_restr0.00471415
X-RAY DIFFRACTIONf_dihedral_angle_d5.25191104
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.65-2.710.38411320.33322542X-RAY DIFFRACTION99.48
2.71-2.780.34581250.3032590X-RAY DIFFRACTION99.16
2.78-2.850.31321520.27972529X-RAY DIFFRACTION99
2.85-2.940.35011260.28222557X-RAY DIFFRACTION98.97
2.94-3.030.35931390.27762503X-RAY DIFFRACTION97.42
3.03-3.140.31411400.28122547X-RAY DIFFRACTION98.57
3.14-3.270.34271480.2672554X-RAY DIFFRACTION99.16
3.27-3.420.26891340.23462548X-RAY DIFFRACTION98.97
3.42-3.60.3011450.22282554X-RAY DIFFRACTION98.4
3.6-3.820.26571200.20052520X-RAY DIFFRACTION96.7
3.82-4.120.22681230.19212567X-RAY DIFFRACTION98.1
4.12-4.530.19011390.15672573X-RAY DIFFRACTION97.94
4.53-5.190.18551480.16552526X-RAY DIFFRACTION96.4
5.19-6.530.23661790.20622567X-RAY DIFFRACTION97.51
6.53-47.790.23391440.19642638X-RAY DIFFRACTION94.75
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)
15.917206753362.35624446905-1.519643662157.450854121751.208622356212.70433759493-0.03918654224880.04847109346741.137138228480.382911832724-0.03575050183230.665611936817-1.12515300952-0.765787592180.03905944288230.8677869523390.301128431568-0.1400163856180.5824339433550.04738570837590.56709379399733.7571614344-44.994041185558.8588236728
21.48488817783-1.89451543168-0.8913337369934.7104857053-0.6927466992415.751675122640.203571662740.3823614232870.73164601863-0.183084679097-0.232747670371-0.549888458597-0.828521726408-0.1266398175480.03917119964940.513354582701-0.0900489616449-0.115632544780.5207397545720.09767973861290.61390841534246.2381756279-53.530365553747.3405482135
33.2833350387-1.8824217966-0.5889477657285.38091467183-0.4885091009554.98435342207-0.276314105641-0.08530881085680.1581933073090.4278476821940.13539935641-0.0619154201584-0.161935307637-0.5466829097430.1339217452420.353995608404-0.0396201117672-0.1247408568710.384196685395-0.01113949425720.30028849587840.6944094193-66.890363593863.6014192787
44.669312061691.42929158261-2.519501952428.76446357793.251234342935.448076257980.509374602366-0.507801220850.3364699852510.747005374762-0.572202023345-0.632639597272-0.5809220935010.3190657352020.05378367176760.70302368957-0.112030035878-0.2235303155360.4089718002580.034037247870.40040645409660.8013701236-62.877211896198.3718961374
58.566826189254.15666867142-2.119158193163.65842115408-1.608404947623.596599600930.441429257601-1.159569122690.9087806426991.24143670625-0.3885141181540.556868171196-0.728318941595-0.17536335601-0.01693873520491.0020734519-0.09404009231220.1190966805660.591903722017-0.04635305532060.53171246444347.0744820349-70.4064976308108.424693486
64.45194253973.088357473350.01110647314436.35689567321-0.8441149906992.50466387956-0.1473775703830.149403543588-0.029967597078-0.1579193621850.08498477629310.06404992276320.0404435229993-0.1586530864430.04798514448140.2930497195450.0591805265134-0.05508430802970.233705099064-0.03648291384120.28165127259848.6078663126-74.890696372583.6369223412
75.64776783565-0.9265341800852.327932160042.011326749074.877352812298.84779717532-0.130473518570.17771271452-0.7088935307490.784934406201-0.016662560899-1.449217463760.2733604309880.8279748897120.09732296244750.733153660721-0.0296176661630.02266213135030.3877745696290.07561152280410.91784994608556.8941032237-102.94342686892.7599449445
88.113758334274.182677473431.390142729759.55400182568-0.1273291349586.803903842960.135280368528-0.110753140832-0.5693596326680.349508189846-0.570746836011-0.6289230657030.2864381721710.3375201493460.4125708734640.5533710255610.0512226930760.03122978894690.2492949732340.01969977687530.55839064200552.9182646032-93.178114652594.4186059325
99.86384822515-2.604005853387.217753119534.02862910703-3.701408959342.003085305990.405360275599-0.60050813864-0.4579144376762.007812269570.2968177824670.8266991177490.358049757181-0.207136555766-0.7113789408651.316049195550.003732991365620.1029620870720.4094954139250.07149534466340.74589231088845.0433327925-101.81377433896.7581097285
102.42629183744-0.113715927715-0.4039987168631.9354203257-1.684955473622.75891816237-0.026527108539-0.346030791199-1.25536160662-0.586578635692-0.197160096919-0.4774313114810.886070418564-0.2450797530820.2164723597360.5874518268830.0037090871115-0.01783170105890.340159303473-0.03522797361240.89563306323249.1674819699-100.07427661992.183492874
117.357640874581.662225728652.625726407617.18252719470.3325599337114.02810341740.211702588949-0.0288659603763-0.1843554445980.1166152339920.0392517784990.7398085182360.505501144814-0.720499176225-0.2335873622040.854334333624-0.4985759090940.06072503835180.961327663283-0.05902874771820.51719539574128.4483668764-83.696561103640.2018676461
122.000668094681.599722371261.999486666839.69983981579-4.130611730652.00036385409-0.3312863530831.372847762060.0757794253781-2.770265262580.3892133081330.266477578214-0.391458213797-0.201652876496-0.05316130728521.29345208576-0.4682120225770.007905478710011.33709580954-0.03683174674780.56256783333731.5653476873-78.713757282926.3320204338
135.01544533927-1.923947051931.878434871872.012984732014.825167569136.20199989340.2349739090970.778715403311-0.131563262881-0.687672415471-0.6021040771190.8360852702370.0417886201976-1.142423687150.3454128454050.574734238542-0.147496314575-0.1186883030280.7043594003550.01762934595190.53745145733731.5817412627-72.720701074338.8493139987
142.0156719372.505115235973.276634244767.98447307897-4.433187407098.26672737543-0.5557846828591.09916539977-0.418620102105-1.482885346460.254887414301-0.3929523525781.036194405620.1318392319410.2774569726220.742744939275-0.1753365285750.19100250220.60240141751-0.1358212884640.58466374094939.8312284694-80.773656848632.2249527293
152.862795132411.524623745131.885500299331.001993965680.6078402155532.082165995790.01432877024710.321141490397-0.3451641428280.009560336840670.0298185024623-0.0663591189360.557555688676-0.507640170127-0.02060241987320.738455361565-0.382402555601-0.03956968663680.592470936918-0.07034262610450.42030402016835.9663758505-74.232166278545.5374639732
167.879707667882.19390671094-0.7177795082366.93759972356-3.711606705843.98094652695-0.247346030570.379907027847-0.658414093153-0.925710343576-0.208766949222-1.272161497890.5735294273941.023676362410.4325057988540.4329311004110.08457481236270.1228546201870.615943198141-0.03312817904350.62034952550271.1146413727-79.757007132375.0845394831
174.670238319070.623822172962-0.5426934007245.988042846460.9529076081037.408552939340.17092279197-0.0492583321103-0.1234781236610.151282353034-0.245479425585-1.032102096230.2933029092320.8040666375560.06563414336280.3712083522360.0897175988173-0.0495662129370.346500804006-0.01262530871940.62689204895666.5871975534-79.978779208282.741384616
182.007751234366.349017577912.675555068467.931703812589.187140934862.005647914830.140554053757-0.692329561807-1.217096564710.5967526774420.77156415765-1.04887671082-0.1182744699570.579685104082-0.9266602939420.505632927954-0.007303467537530.09623775189460.708158638821-0.09714994553190.5227479417970.6830816212-72.569554930982.8824701963
194.680210095050.3557509575590.8340353585480.193968122604-1.011147515377.014778637120.882977699376-0.2412233533710.2069832583510.890479898952-0.06618590758360.534860286379-0.0384329470944-2.11010044897-0.7783205064770.861299915482-0.1820833104880.4107521497650.7946999648830.03744885241561.1700849597324.6615764936-88.9107952388103.775563794
208.41776905486-7.20586158786-8.080607789562.002366567846.361175956522.00312194620.1032602027530.8109052334991.5250810865-0.604287800484-0.2076657935781.75475493997-1.1142930211-1.247516470720.09209473283990.6633849935720.132366635817-0.008393213487240.6110797806970.0207141415991.1942826086626.4790956774-84.915599461695.3403875526
212.00653073856-1.575708793283.841000810632.00865998899-8.898960947786.87135071053-0.173343623070.244188116252-0.7381643051650.914955594530.2329981868251.2072311916-0.864099595138-0.103999787379-0.03102761014850.6981992765520.04502876130040.1676196284650.737724917734-0.01032324381310.71668739129931.0576083665-79.318538801699.1175888798
227.98934985275-5.03823633546-1.014348779354.555221478634.319476272699.91310595879-0.325889154677-0.250685920598-0.6946055715120.9055363799780.3404341129080.6914040148090.307073705073-0.412662825329-0.003169943015960.700403710747-0.0817983613350.05452550050590.4005457672930.1138964710880.57795705298334.6279826123-93.1534744458102.062314366
236.625039492375.25525584844-7.21376877947.49551195332-3.523836894342.007542369910.456721480387-1.065979360390.2451760832461.85316352982-0.5446982074541.47865337763-0.4348029435520.04383773807960.08941783730270.886753572635-0.1044201753030.2525362610850.712143408258-0.03766183693730.64124919179931.7625015127-80.406129763105.153938955
245.51845170033-2.46364682169-6.275385788372.000743358474.618205925549.11707926642-0.8127631026810.132204187222-0.903798767286-0.311844848370.175763290517-0.07175416013270.6019367952540.6596386355530.6610934973570.617858626038-0.1167157679660.1755819875820.6357676735010.081057515360.85992527742263.7447550716-69.184171600532.7840220671
252.61823363915-1.79960514092-0.7188523480614.78885324135.023374361235.961895561630.1014352079320.3612018356760.1852671472590.2439335526270.206151302763-0.3607970206270.05520843351860.164671889739-0.2597580192820.621927781032-0.04617336490450.1746107826970.5555375054810.1572464271630.74224947939662.9929572768-70.547490604636.1777366232
268.44221831163-3.5310630311-2.855050258369.886726296196.932393865679.42160557472-0.3771709352330.792365279004-0.2958327118861.59754291612-0.144983858533-1.50908907960.03887301703690.795556581050.5115917804540.622229393768-0.210248154447-0.1170178794120.5445639997140.2345454642160.9799197389662.7628382035-70.48301829244.0324521721
276.48812227405-6.603958830897.388808216929.81488965569-4.987087403382.00478202433-0.458398935448-0.2568600399640.2127864225741.157559882160.114921337465-0.700880482973-1.158907862520.7598787819710.3654420481940.597347783774-0.217444806282-0.09597518437770.5952060413430.1240664457090.47989057736258.0834427435-63.8113553545.166582602
289.16378675166-0.725275408084-4.957497355342.001616862790.3367852647862.00081537619-0.09523612221550.2084861827490.337617959553-0.321490186689-0.4391834270330.632666324240.5286628039120.7146137815750.5245492631540.80274155658-0.05237859204490.03703144322870.42910445570.008102844851730.42287891583650.127516486-65.576670858833.7209624637
296.725932937961.97761826597-4.725485688557.6840827051-0.228104278965.43983754824-0.6589933445840.228267734837-0.0350586235983-0.8305440198710.1876873232920.2189550316530.4390823315470.2424454081220.4935154343070.686022466351-0.0242055551115-0.04381673625870.4142651683470.0594304737840.43293594232750.6615698831-73.994971046938.6076924775
309.14115353365-8.29420627967-8.802335077487.526096378847.95357762212.001731885290.04087755224631.33827228075-0.676947933149-1.213247834050.339010328192-1.362920339470.2988542622190.573242536977-0.3834164018070.7410623941850.01221637252530.1678302278140.758923626068-0.05346278539080.63725946095858.1730044118-74.180428429127.9371003511
312.01591434342-2.44012613366-7.930489858898.96005391563-1.760121591119.43007041371-0.167325177050.06483107593790.717655708474-0.2070740416240.257130363129-0.910552509351-0.9733840937080.764018469456-0.06840654755890.389904347862-0.114254567508-0.06486214642980.5331955453970.05313814802910.5344024684158.0769786975-60.966699076639.7732039847
329.95041248689-2.08236206162-1.524018149172.00679955899-2.769513474683.38896294653-0.440518739081-0.539594326184-1.138886017851.026128274650.3235293543181.06538379027-0.285253133797-1.426114653850.1077137116840.5798837763410.08960166239830.01425202459241.031757068210.1938312627710.64325784155320.9310112826-70.493402056669.9872915828
339.243309846463.87726414773-0.3376515251156.296483834381.097226308485.11751676226-0.0485236742995-0.105597353007-0.21650624173-0.0121737764373-0.2755842161291.7560295714-0.458352194262-2.690420782410.3279986791070.5428821919510.0614946976535-0.06625104515181.67631583550.0755240310330.97623361787314.1844750144-65.61413757765.2446849062
341.956667138161.5995551346-1.802656676179.081197591444.95807510336.97363963079-0.4950289759450.2635557284740.592601912248-0.6767712886290.1818459010741.04677932393-0.355456145579-1.287023866710.3123613391330.482855452840.108268309682-0.08330941221961.096298608270.147194747530.66521147224324.319189164-64.712657629258.1691568439
355.35979212449-4.67489243094-0.8163764842529.285073026061.476152054555.08519570999-0.3532654868940.0468502919529-0.5002869776040.05352208740420.5261831635870.974510735693-0.272339379092-0.531347808881-0.168173288420.365339014654-0.07377750476170.01190561202970.9400741578170.06968676143440.5251016113225.4184159391-68.153895426264.5614105894
360.01454679296860.208389997503-0.2279273043552.73943795816-3.028650793593.349718071650.1350105509860.4022753176130.01617321834-0.2344057437870.179355570311-0.111289415773-0.248405543678-0.55053655456-0.3055470228541.53444909623-0.1568389746540.3178684978652.117928959530.2667863126750.7218389759140.6962579165-43.563539530126.7292952426
375.44089483153-1.135692204880.8109511718825.27323569318-4.458372033167.50382475612-0.3593711782250.8090062014070.686355956092-0.6590970188870.618702635791-0.1437255037030.967824522803-1.99136477859-0.2297245563610.98546054539-0.09168821793260.09408757796481.403100409050.302644676841.0124707523440.9416877639-36.801144397129.1501109886
388.16639724351-3.30820269438-0.697374170722.88054642438-0.4224524261480.381858168290.7909535998951.476937073361.29235982317-0.356987026438-1.54113993836-0.5324603627690.6984583218860.05238125713850.7340703756021.00413011484-0.002018631283110.0273763985761.017889696530.2023156569830.62113791156141.4002480561-35.000867556138.0293217738
398.731011730315.30778311827-2.444223065268.41368717799-4.818130436948.101367640150.2583008190131.911885714321.38682352943-0.831392072738-0.213303874881-0.610609978453-1.32481893605-0.218692719352-0.0574660325991.039989117360.1661980841130.01180036696740.9581096009860.3056982378230.93502426941852.6000575226-39.14587271632.2141849378
408.495752063251.50862401251-7.704195011069.16401916402-1.737188397017.01670509880.4091460119650.962876342293-0.01008421184080.6409804831890.100293007773-0.08813056546850.173451866057-1.91800655075-0.5152488085720.871905945363-0.101692508432-0.1533202954121.30890288570.09393960645260.65729458079543.6890628721-42.351224389634.1823572071
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'A' and (resid 240 through 288 )AA240 - 2881 - 49
22chain 'A' and (resid 289 through 360 )AA289 - 36050 - 121
33chain 'A' and (resid 361 through 499 )AA361 - 499122 - 260
44chain 'B' and (resid 241 through 288 )BB241 - 2881 - 48
55chain 'B' and (resid 289 through 334 )BB289 - 33449 - 94
66chain 'B' and (resid 335 through 499 )BB335 - 49995 - 259
77chain 'C' and (resid 1 through 34 )CC1 - 341 - 34
88chain 'C' and (resid 35 through 44 )CC35 - 4435 - 44
99chain 'C' and (resid 45 through 56 )CC45 - 5645 - 56
1010chain 'C' and (resid 57 through 76 )CC57 - 7657 - 76
1111chain 'D' and (resid 1 through 16 )DD1 - 161 - 16
1212chain 'D' and (resid 17 through 22 )DD17 - 2217 - 22
1313chain 'D' and (resid 23 through 44 )DD23 - 4423 - 44
1414chain 'D' and (resid 45 through 65 )DD45 - 6545 - 65
1515chain 'D' and (resid 66 through 76 )DD66 - 7666 - 76
1616chain 'E' and (resid 1 through 34 )EE1 - 341 - 34
1717chain 'E' and (resid 35 through 65 )EE35 - 6535 - 65
1818chain 'E' and (resid 66 through 73 )EE66 - 7366 - 73
1919chain 'F' and (resid 1 through 22 )FF1 - 221 - 22
2020chain 'F' and (resid 23 through 33 )FF23 - 3323 - 33
2121chain 'F' and (resid 34 through 44 )FF34 - 4434 - 44
2222chain 'F' and (resid 45 through 65 )FF45 - 6545 - 65
2323chain 'F' and (resid 66 through 73 )FF66 - 7366 - 73
2424chain 'G' and (resid 1 through 7 )GG1 - 71 - 7
2525chain 'G' and (resid 8 through 22 )GG8 - 228 - 22
2626chain 'G' and (resid 23 through 34 )GG23 - 3423 - 34
2727chain 'G' and (resid 35 through 44 )GG35 - 4435 - 44
2828chain 'G' and (resid 45 through 49 )GG45 - 4945 - 49
2929chain 'G' and (resid 50 through 59 )GG50 - 5950 - 59
3030chain 'G' and (resid 60 through 65 )GG60 - 6560 - 65
3131chain 'G' and (resid 66 through 73 )GG66 - 7366 - 73
3232chain 'H' and (resid 1 through 22 )HH1 - 221 - 22
3333chain 'H' and (resid 23 through 44 )HH23 - 4423 - 44
3434chain 'H' and (resid 45 through 55 )HH45 - 5545 - 55
3535chain 'H' and (resid 56 through 72 )HH56 - 7256 - 72
3636chain 'I' and (resid 1 through 7 )II1 - 71 - 7
3737chain 'I' and (resid 8 through 34 )II8 - 348 - 34
3838chain 'I' and (resid 35 through 44 )II35 - 4435 - 44
3939chain 'I' and (resid 45 through 59 )II45 - 5945 - 59
4040chain 'I' and (resid 60 through 74 )II60 - 7460 - 74

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