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- PDB-4mdk: Cdc34-ubiquitin-CC0651 complex -

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Basic information

Entry
Database: PDB / ID: 4mdk
TitleCdc34-ubiquitin-CC0651 complex
Components
  • Ubiquitin
  • Ubiquitin-conjugating enzyme E2 R1
KeywordsLIGASE/LIGASE INHIBITOR / ubiquitin conjugating enzyme domain / E2 ligase inhibitor / LIGASE-LIGASE INHIBITOR complex
Function / homology
Function and homology information


(E3-independent) E2 ubiquitin-conjugating enzyme / E2 ubiquitin-conjugating enzyme / ubiquitin conjugating enzyme activity / Maturation of protein E / Maturation of protein E / DNA replication initiation / ER Quality Control Compartment (ERQC) / Myoclonic epilepsy of Lafora / FLT3 signaling by CBL mutants / Prevention of phagosomal-lysosomal fusion ...(E3-independent) E2 ubiquitin-conjugating enzyme / E2 ubiquitin-conjugating enzyme / ubiquitin conjugating enzyme activity / Maturation of protein E / Maturation of protein E / DNA replication initiation / 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 / Endosomal Sorting Complex Required For Transport (ESCRT) / Membrane binding and targetting of GAG proteins / 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 / 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 / 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 / Regulation of pyruvate metabolism / protein K48-linked ubiquitination / TRAF6-mediated induction of TAK1 complex within TLR4 complex / TRAF6 mediated IRF7 activation in TLR7/8 or 9 signaling / Regulation of innate immune responses to cytosolic DNA / NF-kB is activated and signals survival / cellular response to interferon-beta / Downregulation of ERBB2:ERBB3 signaling / NRIF signals cell death from the nucleus / Pexophagy / VLDLR internalisation and degradation / Regulation of PTEN localization / Activated NOTCH1 Transmits Signal to the Nucleus / Regulation of BACH1 activity / MAP3K8 (TPL2)-dependent MAPK1/3 activation / Translesion synthesis by REV1 / Synthesis of active ubiquitin: roles of E1 and E2 enzymes / InlB-mediated entry of Listeria monocytogenes into host cell / Activation of IRF3, IRF7 mediated by TBK1, IKKε (IKBKE) / Translesion synthesis by POLK / Josephin domain DUBs / Downregulation of TGF-beta receptor signaling / TICAM1, RIP1-mediated IKK complex recruitment / JNK (c-Jun kinases) phosphorylation and activation mediated by activated human TAK1 / 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 / TGF-beta receptor signaling in EMT (epithelial to mesenchymal transition) / PINK1-PRKN Mediated Mitophagy / TNFR1-induced NF-kappa-B signaling pathway / TCF dependent signaling in response to WNT / Autodegradation of Cdh1 by Cdh1:APC/C / N-glycan trimming in the ER and Calnexin/Calreticulin cycle / activated TAK1 mediates p38 MAPK activation / Regulation of NF-kappa B signaling / APC/C:Cdc20 mediated degradation of Securin / Asymmetric localization of PCP proteins / Ubiquitin-dependent degradation of Cyclin D / Regulation of signaling by CBL / NOTCH3 Activation and Transmission of Signal to the Nucleus / NIK-->noncanonical NF-kB signaling / SCF-beta-TrCP mediated degradation of Emi1 / Deactivation of the beta-catenin transactivating complex / Negative regulation of FGFR3 signaling / TNFR2 non-canonical NF-kB pathway / AUF1 (hnRNP D0) binds and destabilizes mRNA / Fanconi Anemia Pathway / Negative regulators of DDX58/IFIH1 signaling / Vpu mediated degradation of CD4 / Negative regulation of FGFR2 signaling / Assembly of the pre-replicative complex / Ubiquitin-Mediated Degradation of Phosphorylated Cdc25A / Peroxisomal protein import / Negative regulation of FGFR4 signaling / Degradation of DVL / Stabilization of p53 / Negative regulation of FGFR1 signaling / Dectin-1 mediated noncanonical NF-kB signaling / EGFR downregulation / Cdc20:Phospho-APC/C mediated degradation of Cyclin A / Downregulation of SMAD2/3:SMAD4 transcriptional activity / Termination of translesion DNA synthesis / Regulation of TNFR1 signaling / Degradation of AXIN / Hh mutants are degraded by ERAD / SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription / Iron uptake and transport
Similarity search - Function
: / Ubiquitin Conjugating Enzyme / Ubiquitin Conjugating Enzyme / 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 ...: / Ubiquitin Conjugating Enzyme / Ubiquitin Conjugating Enzyme / 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 / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1 / : / Ubiquitin domain / Ubiquitin domain signature. / Ubiquitin conserved site / 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
Chem-U94 / Polyubiquitin-C / Ubiquitin-conjugating enzyme E2 R1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.6095 Å
AuthorsCeccarelli, D.F. / Orlicky, S. / Tyers, M. / Sicheri, F.
CitationJournal: Nat.Chem.Biol. / Year: 2014
Title: E2 enzyme inhibition by stabilization of a low-affinity interface with ubiquitin.
Authors: Huang, H. / Ceccarelli, D.F. / Orlicky, S. / St-Cyr, D.J. / Ziemba, A. / Garg, P. / Plamondon, S. / Auer, M. / Sidhu, S. / Marinier, A. / Kleiger, G. / Tyers, M. / Sicheri, F.
History
DepositionAug 22, 2013Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 11, 2013Provider: repository / Type: Initial release
Revision 1.1Jan 15, 2014Group: Database references
Revision 1.2Feb 5, 2014Group: Database references
Revision 1.3Sep 20, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Ubiquitin-conjugating enzyme E2 R1
B: Ubiquitin-conjugating enzyme E2 R1
C: Ubiquitin-conjugating enzyme E2 R1
D: Ubiquitin-conjugating enzyme E2 R1
E: Ubiquitin
F: Ubiquitin
G: Ubiquitin
H: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)119,34312
Polymers117,5738
Non-polymers1,7694
Water82946
1
A: Ubiquitin-conjugating enzyme E2 R1
E: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)29,8363
Polymers29,3932
Non-polymers4421
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Ubiquitin-conjugating enzyme E2 R1
F: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)29,8363
Polymers29,3932
Non-polymers4421
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Ubiquitin-conjugating enzyme E2 R1
G: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)29,8363
Polymers29,3932
Non-polymers4421
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: Ubiquitin-conjugating enzyme E2 R1
H: Ubiquitin
hetero molecules


Theoretical massNumber of molelcules
Total (without water)29,8363
Polymers29,3932
Non-polymers4421
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)55.403, 72.220, 75.912
Angle α, β, γ (deg.)71.89, 79.63, 81.61
Int Tables number1
Space group name H-MP1

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Components

#1: Protein
Ubiquitin-conjugating enzyme E2 R1 / Ubiquitin-conjugating enzyme E2-32 kDa complementing / Ubiquitin-conjugating enzyme E2-CDC34 / ...Ubiquitin-conjugating enzyme E2-32 kDa complementing / Ubiquitin-conjugating enzyme E2-CDC34 / Ubiquitin-protein ligase R1


Mass: 20500.164 Da / Num. of mol.: 4 / Fragment: E2 domain (UNP residues 7-184)
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CDC34, UBCH3, UBE2R1 / Plasmid: ProEX / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P49427, ubiquitin-protein ligase
#2: Protein
Ubiquitin


Mass: 8893.206 Da / Num. of mol.: 4 / Fragment: UNP residues 76-152
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: UBC / Plasmid: PetM30 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P0CG48
#3: Chemical
ChemComp-U94 / 4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-L-arabinonic acid


Mass: 442.290 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C20H21Cl2NO6
#4: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 46 / Source method: isolated from a natural source / Formula: H2O

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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: 2.4 Å3/Da / Density % sol: 48.84 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7
Details: 28% PEG3350, 0.1 M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 24-ID-C / Wavelength: 0.97919 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Oct 11, 2011
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97919 Å / Relative weight: 1
ReflectionResolution: 2.6→50 Å / Num. all: 32770 / Num. obs: 31394 / % possible obs: 95.8 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 2.2 % / Rmerge(I) obs: 0.079 / Net I/σ(I): 13.7
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsDiffraction-ID% possible all
2.6-2.641.70.4571.2185.5
2.64-2.6920.4991.4190.1
2.69-2.742.10.4331.7193.5
2.74-2.82.10.3971.8194.2
5.6-7.052.20.04824.7197.4
7.05-502.20.04434.3197.2

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Processing

Software
NameVersionClassification
ADSCQuantumdata collection
PHASERphasing
PHENIX(phenix.refine: 1.8.2_1309)refinement
HKL-2000data reduction
SCALEPACKdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRIES 2OB4 AND 3A33

2ob4

3a33


Resolution: 2.6095→44.627 Å / SU ML: 0.46 / σ(F): 1.96 / Phase error: 31.74 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.259 1580 5.04 %RANDOM
Rwork0.2042 ---
obs0.2069 31377 94.24 %-
all-32752 --
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.6095→44.627 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7539 0 116 46 7701
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0087836
X-RAY DIFFRACTIONf_angle_d1.26410653
X-RAY DIFFRACTIONf_dihedral_angle_d16.2492924
X-RAY DIFFRACTIONf_chiral_restr0.0861193
X-RAY DIFFRACTIONf_plane_restr0.0081367
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.6095-2.69380.39271110.33842015X-RAY DIFFRACTION71
2.6938-2.790.34521440.29752697X-RAY DIFFRACTION93
2.79-2.90170.33371500.26892759X-RAY DIFFRACTION96
2.9017-3.03370.33121400.25942754X-RAY DIFFRACTION97
3.0337-3.19360.33851510.25762770X-RAY DIFFRACTION97
3.1936-3.39370.32191500.24072808X-RAY DIFFRACTION97
3.3937-3.65560.27471460.21232805X-RAY DIFFRACTION97
3.6556-4.02330.24361480.19272817X-RAY DIFFRACTION97
4.0233-4.60490.22221500.16452789X-RAY DIFFRACTION97
4.6049-5.79970.21071470.17172775X-RAY DIFFRACTION97
5.7997-44.6330.21571430.17792808X-RAY DIFFRACTION97
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)
15.60220.0174-0.36383.1138-0.60830.9204-0.04141.2366-0.6189-0.194-0.1034-0.4988-0.00780.1571-0.05870.63450.0320.09360.7494-0.03350.702861.98236.311-15.7037
23.9804-0.3363-0.46933.1518-0.20231.6549-0.104-0.22520.1192-0.0482-0.0142-0.3129-0.21490.1386-0.00660.46680.00310.00920.5356-0.03250.513953.628542.7948-6.6113
30.16740.1369-0.06180.0594-0.0130.04-0.3489-0.8498-0.04660.52030.1201-0.26481.1635-0.81190.00030.7562-0.0068-0.13120.94960.14771.179659.502529.3460.2922
42.3125-1.09260.16053.14060.57931.4312-0.1282-0.30250.12460.01640.06090.1838-0.1125-0.24940.07220.47690.0089-0.01160.572-0.04410.567939.914742.0034-5.1904
51.00880.17510.56943.29381.00461.94620.17780.0941-0.50610.29240.0236-0.26370.2925-0.1233-0.13460.51890.00090.00190.5695-0.02690.777515.605111.999923.0783
61.1346-0.3897-0.73833.3710.22950.91180.34950.9779-0.3135-1.0213-0.50390.8964-0.5203-0.2019-0.02310.54910.00450.00480.7194-0.11250.613715.0224.971517.9293
77.52812.42992.82842.39741.49941.8815-0.32971.03880.1514-0.7457-0.0969-0.96640.0786-0.5785-0.16760.6625-0.08920.11240.7413-0.040.591619.721125.980813.5752
8-0.01070.0067-0.01390.05670.0740.05880.52440.7145-0.85370.1022-0.7044-0.2547-0.45880.01250.00540.830.17820.09291.0135-0.22981.358626.336910.079813.1128
93.1735-1.21910.29314.0120.10271.5783-0.05360.1640.306-0.14650.0914-0.3683-0.26490.10530.00850.4177-0.07950.06140.5568-0.02170.450422.414430.198222.7441
103.1017-0.68430.25596.26841.18571.8809-0.0578-0.46580.65261.1713-0.0054-0.9595-0.10.3202-0.11990.60240.01140.12070.5849-0.060.635750.5446-4.011726.3845
111.98-0.30170.47785.72620.46331.810.10290.0290.2385-0.3767-0.0643-0.4227-0.14820.0793-0.01920.4467-0.03270.07230.51760.0130.44449.4551-16.552720.0871
120.78960.65570.8660.83850.36191.50370.31370.49150.5174-0.5677-1.43741.6823-0.2392-0.6017-0.0630.88510.25480.04550.98230.14990.95437.2979-7.145714.2401
131.9986-0.12960.28973.49181.13750.41470.06370.0108-0.2830.04490.15450.45860.1335-0.2935-0.07120.5333-0.05250.08480.63160.06550.418737.549-27.226421.1235
143.9178-0.01440.32235.61220.76061.83920.0717-0.29680.48660.83170.1376-0.17290.2788-0.0568-0.01020.58710.02930.03880.58380.05150.59553.5857-29.664529.1516
154.7981-1.4636-1.32313.97031.19573.62150.44720.82910.26910.2661-0.1760.41920.2279-0.8403-0.0320.71740.00910.02070.68490.02820.783-1.55343.374-3.3921
165.47190.4848-1.45373.576-0.81684.23550.46211.1859-0.09320.06960.8368-0.5582-0.681-0.2270.01750.79840.09840.08230.74590.01210.80327.1374-1.4251-11.6743
173.6519-0.829-1.93791.4310.18242.5403-0.1666-0.15180.15970.17160.20030.28490.8918-0.35370.09840.70840.0319-0.01930.6473-0.02670.70545.1129-5.6519-1.792
184.2982-0.945-1.65422.40591.21952.07120.33430.3437-0.0723-0.0868-0.26620.2292-0.2575-0.4098-0.05160.56010.1118-0.04780.52940.00930.590213.5775-1.1091-5.136
192.9449-0.7362-0.76780.25210.15070.2084-0.6518-0.0106-0.02571.14960.4835-0.58110.55740.18380.05540.6809-0.0323-0.03950.61670.01630.728920.6487-5.9001-2.1375
200.4754-0.0174-0.47410.81410.58660.7728-0.022-0.6771-0.11490.83040.256-0.18990.33630.30690.0290.64140.0072-0.02690.72280.0240.719419.26023.29190.078
211.9176-0.9495-0.58271.9956-0.5320.57750.5589-0.26940.5391-0.299-0.2705-0.33220.05080.2108-0.09590.71530.0469-0.05210.6593-0.04980.58321.15555.599-6.7827
223.7126-0.2508-0.22644.33290.27020.3853-0.2236-0.09280.5241-0.4486-0.1873-1.4066-0.1711-0.0164-0.02650.7924-0.0214-0.00350.60270.00750.873737.31140.2981-11.0882
236.36911.2873-0.30073.56391.11930.9690.2150.84310.05950.17630.06420.1404-0.0603-0.01450.14340.60410.0611-0.03620.5976-0.06470.622.3281-13.0403-12.2421
245.29626.42775.77558.84587.6236.7175-0.27211.45330.314-1.76250.7323-0.7121-0.350.9830.05061.19330.0685-0.08150.6385-0.06950.761944.783716.2901-20.8958
252.1565-0.12120.34125.86533.31044.3040.59160.3232-0.00880.01350.1858-1.06320.53930.6365-0.60960.6474-0.07580.15720.70220.10010.83756.007420.6397-10.5794
267.00892.5759-0.39467.53841.55011.96070.59890.3647-0.7266-0.65790.7627-0.1925-0.21040.437-0.35030.7571-0.05230.06030.7324-0.11441.101848.156713.9396-17.242
270.1575-0.9153-0.79346.03365.14734.39260.2592-0.00820.5011-0.5097-0.10071.15260.4155-0.80080.33840.6901-0.1405-0.02410.8672-0.06821.086935.078415.6342-17.3323
282.64660.42731.53748.04181.90293.253-0.3377-0.3506-0.74240.56930.31810.19381.1921-0.441-0.08360.764-0.09780.03270.57550.01450.859442.557313.9183-8.7933
293.5092-0.72470.75532.0592.13942.2074-0.0318-0.1424-0.42930.43750.2570.8481-0.1553-0.1656-0.11930.7425-0.0031-0.00680.57620.0470.65343.662123.5482-7.2231
304.1852.7299-1.1076.71514.75396.3540.4014-0.44440.37640.1889-0.3971.41170.5686-2.06230.34060.7112-0.03090.16980.9090.04251.241634.321924.7892-9.6114
312.70740.2241-1.39166.21123.27073.6870.34330.75440.417-2.2573-0.16860.6337-0.6846-1.53940.17371.1469-0.0899-0.28471.0070.18411.031737.561423.046-20.7691
320.26790.1449-0.34980.3299-0.22261.65180.42720.06810.4613-0.29270.7859-0.24420.44970.1652-0.24460.68350.01620.09550.52430.01220.572747.292224.8187-6.7256
332.88-0.36624.42980.2447-0.10388.18431.3629-0.0086-0.43340.0577-0.24831.56080.4406-0.68660.04470.88730.23060.00910.77660.09660.899338.68919.321439.207
343.4722-1.7381-0.35963.2071-0.41751.2570.24850.1641-1.55870.1807-0.0528-0.19910.52470.7721-0.20720.74450.1476-0.23170.8979-0.16261.221539.942710.612733.4459
354.249-2.6492-0.70822.70130.20512.3784-0.1840.26770.3330.0110.1145-0.9504-0.04760.767-0.19080.67140.06810.00020.9089-0.08680.996643.499415.244126.9557
364.0824-2.71290.21032.8364-0.49893.0252-0.10710.04120.40250.59870.3557-0.5176-0.25660.3291-0.30830.58850.0099-0.04180.7834-0.01830.761935.363422.860732.8775
372.0414-0.0777-2.09741.6321-0.40892.3684-0.0851-0.3299-0.32510.25550.09230.00080.34930.6516-0.13690.62720.06-0.00280.7307-0.09760.965334.684216.601432.4402
386.64045.5661-1.04415.4538-1.77861.17690.9784-0.9862.04770.35970.2005-0.6264-0.88961.1225-0.38091.19060.12850.48441.1377-0.32781.460930.9521-6.569539.002
390.07980.1843-0.04366.1516-0.99260.35331.2111-1.94951.32510.1912-0.27330.4719-0.7864-0.1193-0.36310.71020.95411.83721.4474-0.14521.262927.3429-8.657236.8958
408.46641.6125-2.47683.54793.40175.39810.92640.22771.6412-0.1281-0.88660.7299-0.7396-1.6481-1.49860.76420.21210.37471.37540.19180.812621.4936-11.583832.3325
415.3825-0.607-3.31486.08381.31748.20170.53770.1954-1.1592-0.190.15021.3833-0.0324-1.6077-0.0590.6110.11220.14031.05140.11570.696429.093-18.053930.0405
420.1097-0.25070.5320.5882-1.22632.5836-0.1317-3.9135-2.2091.0999-0.3075-0.35030.51840.09970.33651.47730.00390.112.14470.76340.988629.7609-21.910141.4201
433.69891.91721.81483.2182-0.42482.74230.1671-1.40630.34850.83910.5864-0.7722-1.6694-0.091-0.910.82030.30040.27051.0945-0.06160.851832.6222-13.577834.0545
440.3004-0.64410.87651.2545-1.9022.82790.2909-0.59790.0420.12040.43951.21070.1029-0.4522-0.42690.74260.1519-0.09150.91920.05260.74958.958316.3749-27.3453
454.3897-0.91561.68772.86440.09972.42910.49610.440.9151-0.1455-0.16390.4939-0.90240.0339-0.32180.8610.2096-0.03981.00730.08460.975811.89117.9706-23.3452
464.7206-1.91732.45145.36910.59374.16750.79730.8690.7839-0.1978-0.1924-0.664-0.83590.1954-0.20230.7690.0840.11350.82150.11840.789918.38322.2633-21.7946
475.6882-0.94141.39654.0628-0.5243.63650.21650.3854-0.15390.85850.6175-1.1280.040.9496-0.40080.62680.02330.05350.7059-0.02680.534819.959314.0467-16.3924
481.06040.2221-2.22521.7643-3.12938.71780.38631.4446-0.33540.056-0.3657-1.19641.03591.3537-0.47670.98630.1186-0.10251.151-0.1550.845325.034710.5085-23.8687
495.1125-0.58242.0232.8040.13323.78920.39010.6632-0.7793-0.52910.06240.32880.60080.0804-0.46440.73550.0791-0.06380.85330.06190.738714.945310.7291-23.2876
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 7 through 32 )
2X-RAY DIFFRACTION2chain 'A' and (resid 33 through 97 )
3X-RAY DIFFRACTION3chain 'A' and (resid 98 through 119 )
4X-RAY DIFFRACTION4chain 'A' and (resid 120 through 184 )
5X-RAY DIFFRACTION5chain 'B' and (resid 7 through 73 )
6X-RAY DIFFRACTION6chain 'B' and (resid 74 through 82 )
7X-RAY DIFFRACTION7chain 'B' and (resid 83 through 92 )
8X-RAY DIFFRACTION8chain 'B' and (resid 93 through 119 )
9X-RAY DIFFRACTION9chain 'B' and (resid 120 through 184 )
10X-RAY DIFFRACTION10chain 'C' and (resid 7 through 32 )
11X-RAY DIFFRACTION11chain 'C' and (resid 33 through 97 )
12X-RAY DIFFRACTION12chain 'C' and (resid 98 through 119 )
13X-RAY DIFFRACTION13chain 'C' and (resid 120 through 159 )
14X-RAY DIFFRACTION14chain 'C' and (resid 160 through 184 )
15X-RAY DIFFRACTION15chain 'D' and (resid 7 through 22 )
16X-RAY DIFFRACTION16chain 'D' and (resid 23 through 32 )
17X-RAY DIFFRACTION17chain 'D' and (resid 33 through 46 )
18X-RAY DIFFRACTION18chain 'D' and (resid 47 through 73 )
19X-RAY DIFFRACTION19chain 'D' and (resid 74 through 82 )
20X-RAY DIFFRACTION20chain 'D' and (resid 83 through 119 )
21X-RAY DIFFRACTION21chain 'D' and (resid 120 through 141 )
22X-RAY DIFFRACTION22chain 'D' and (resid 142 through 159 )
23X-RAY DIFFRACTION23chain 'D' and (resid 160 through 184 )
24X-RAY DIFFRACTION24chain 'E' and (resid -1 through 6 )
25X-RAY DIFFRACTION25chain 'E' and (resid 7 through 11 )
26X-RAY DIFFRACTION26chain 'E' and (resid 12 through 16 )
27X-RAY DIFFRACTION27chain 'E' and (resid 17 through 22 )
28X-RAY DIFFRACTION28chain 'E' and (resid 23 through 34 )
29X-RAY DIFFRACTION29chain 'E' and (resid 35 through 49 )
30X-RAY DIFFRACTION30chain 'E' and (resid 50 through 54 )
31X-RAY DIFFRACTION31chain 'E' and (resid 55 through 65 )
32X-RAY DIFFRACTION32chain 'E' and (resid 66 through 74 )
33X-RAY DIFFRACTION33chain 'F' and (resid -1 through 6 )
34X-RAY DIFFRACTION34chain 'F' and (resid 7 through 22 )
35X-RAY DIFFRACTION35chain 'F' and (resid 23 through 44 )
36X-RAY DIFFRACTION36chain 'F' and (resid 45 through 56 )
37X-RAY DIFFRACTION37chain 'F' and (resid 57 through 74 )
38X-RAY DIFFRACTION38chain 'G' and (resid 2 through 6 )
39X-RAY DIFFRACTION39chain 'G' and (resid 7 through 22 )
40X-RAY DIFFRACTION40chain 'G' and (resid 23 through 34 )
41X-RAY DIFFRACTION41chain 'G' and (resid 35 through 54 )
42X-RAY DIFFRACTION42chain 'G' and (resid 55 through 59 )
43X-RAY DIFFRACTION43chain 'G' and (resid 60 through 74 )
44X-RAY DIFFRACTION44chain 'H' and (resid -1 through 6 )
45X-RAY DIFFRACTION45chain 'H' and (resid 7 through 22 )
46X-RAY DIFFRACTION46chain 'H' and (resid 23 through 34 )
47X-RAY DIFFRACTION47chain 'H' and (resid 35 through 49 )
48X-RAY DIFFRACTION48chain 'H' and (resid 50 through 54 )
49X-RAY DIFFRACTION49chain 'H' and (resid 55 through 72 )

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