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- PDB-4naw: Crystal Structure of Human ATG12~ATG5-ATG16N in complex with a fr... -

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Basic information

Entry
Database: PDB / ID: 4naw
TitleCrystal Structure of Human ATG12~ATG5-ATG16N in complex with a fragment of ATG3
Components
  • Autophagy protein 5
  • Autophagy-related protein 16-1
  • Ubiquitin-like protein ATG12
  • Ubiquitin-like-conjugating enzyme ATG3
KeywordsPROTEIN TRANSPORT/LIGASE / protein-protein conjugate / ubiquitin-like protein / autophagy / E3 ligase / PROTEIN TRANSPORT-LIGASE complex
Function / homology
Function and homology information


Atg8-family conjugating enzyme activity / Atg12 transferase activity / otolith development / regulation of autophagosome maturation / response to fluoride / regulation of cytokine production involved in immune response / positive regulation of viral translation / Atg8-family ligase activity / Atg12-Atg5-Atg16 complex / antigen processing and presentation of endogenous antigen ...Atg8-family conjugating enzyme activity / Atg12 transferase activity / otolith development / regulation of autophagosome maturation / response to fluoride / regulation of cytokine production involved in immune response / positive regulation of viral translation / Atg8-family ligase activity / Atg12-Atg5-Atg16 complex / antigen processing and presentation of endogenous antigen / C-terminal protein lipidation / negative regulation of autophagic cell death / cellular response to nitrosative stress / vacuole-isolation membrane contact site / ubiquitin-like protein transferase activity / negative regulation of defense response to virus / ventricular cardiac muscle cell development / microautophagy / mitochondria-associated endoplasmic reticulum membrane contact site / regulation of cilium assembly / aggrephagy / transferase complex / mucus secretion / mitochondrial fragmentation involved in apoptotic process / response to fungus / xenophagy / nucleophagy / negative thymic T cell selection / protein localization to phagophore assembly site / corpus callosum development / phagophore assembly site membrane / autophagy of mitochondrion / cellular response to nitrogen starvation / negative stranded viral RNA replication / regulation of release of sequestered calcium ion into cytosol / endolysosome membrane / Transferases; Acyltransferases; Aminoacyltransferases / phagophore assembly site / negative regulation of phagocytosis / response to iron(II) ion / protein targeting to membrane / positive regulation of mucus secretion / negative regulation of cardiac muscle cell apoptotic process / negative regulation of type I interferon production / Macroautophagy / chaperone-mediated autophagy / Receptor Mediated Mitophagy / heart contraction / axoneme / autophagosome membrane / mitophagy / autophagosome assembly / autophagosome / negative regulation of reactive oxygen species metabolic process / blood vessel remodeling / positive regulation of autophagy / protein-membrane adaptor activity / negative regulation of protein ubiquitination / cardiac muscle cell apoptotic process / sperm midpiece / PINK1-PRKN Mediated Mitophagy / negative regulation of innate immune response / post-translational protein modification / Negative regulators of DDX58/IFIH1 signaling / establishment of localization in cell / hippocampus development / macroautophagy / autophagy / vasodilation / phagocytic vesicle membrane / protein transport / GTPase binding / chromatin organization / defense response to virus / protein ubiquitination / response to xenobiotic stimulus / axon / intracellular membrane-bounded organelle / enzyme binding / protein-containing complex / nucleoplasm / membrane / identical protein binding / cytosol / cytoplasm
Similarity search - Function
Ubiquitin-like protein Atg12 / Ubiquitin-like autophagy protein Apg12 / : / Autophagy protein Apg5, helix rich domain / Ubiquitin-like (UB roll) - #620 / : / : / : / Autophagy protein ATG5, alpha-helical bundle region / Autophagy protein ATG5, UblA domain ...Ubiquitin-like protein Atg12 / Ubiquitin-like autophagy protein Apg12 / : / Autophagy protein Apg5, helix rich domain / Ubiquitin-like (UB roll) - #620 / : / : / : / Autophagy protein ATG5, alpha-helical bundle region / Autophagy protein ATG5, UblA domain / Ubiquitin-like-conjugating enzyme Atg3/Atg10 / Autophagy-related protein 5 / Autophagy protein Atg5, helix rich domain / Autophagy protein Atg5, UblA domain / Autophagocytosis associated protein, active-site domain / Autophagy protein ATG5, UblB domain / Autophagy-related protein 16 / Autophagy-related protein 16 domain / Autophagy protein 16 (ATG16) / Serum Albumin; Chain A, Domain 1 / Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1 / Ubiquitin-like (UB roll) / G-protein beta WD-40 repeat / Ubiquitin-like domain superfamily / WD40 repeat, conserved site / Trp-Asp (WD) repeats signature. / WD domain, G-beta repeat / WD40 repeats / WD40 repeat / Trp-Asp (WD) repeats profile. / Trp-Asp (WD) repeats circular profile. / WD40-repeat-containing domain superfamily / WD40/YVTN repeat-like-containing domain superfamily / Roll / Orthogonal Bundle / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
Ubiquitin-like protein ATG12 / Autophagy-related protein 16-1 / Autophagy protein 5 / Ubiquitin-like-conjugating enzyme ATG3
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.195 Å
AuthorsMetlagel, Z. / Otomo, C. / Takaesu, G. / Otomo, T.
CitationJournal: Proc.Natl.Acad.Sci.USA / Year: 2013
Title: Structural basis of ATG3 recognition by the autophagic ubiquitin-like protein ATG12.
Authors: Metlagel, Z. / Otomo, C. / Takaesu, G. / Otomo, T.
History
DepositionOct 22, 2013Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 6, 2013Provider: repository / Type: Initial release
Revision 1.1Nov 27, 2013Group: Database references
Revision 1.2Dec 18, 2013Group: Database references
Revision 1.3Nov 15, 2017Group: Refinement description / Category: software

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Ubiquitin-like protein ATG12
B: Autophagy protein 5
C: Autophagy-related protein 16-1
D: Ubiquitin-like-conjugating enzyme ATG3
E: Ubiquitin-like protein ATG12
F: Autophagy protein 5
G: Autophagy-related protein 16-1
H: Ubiquitin-like-conjugating enzyme ATG3
I: Ubiquitin-like protein ATG12
J: Autophagy protein 5
K: Autophagy-related protein 16-1
L: Ubiquitin-like-conjugating enzyme ATG3
M: Ubiquitin-like protein ATG12
N: Autophagy protein 5
O: Autophagy-related protein 16-1
P: Ubiquitin-like-conjugating enzyme ATG3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)206,15531
Polymers205,00616
Non-polymers1,14915
Water10,755597
1
A: Ubiquitin-like protein ATG12
B: Autophagy protein 5
C: Autophagy-related protein 16-1
D: Ubiquitin-like-conjugating enzyme ATG3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)51,4677
Polymers51,2514
Non-polymers2153
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area6220 Å2
ΔGint-50 kcal/mol
Surface area28620 Å2
2
E: Ubiquitin-like protein ATG12
F: Autophagy protein 5
G: Autophagy-related protein 16-1
H: Ubiquitin-like-conjugating enzyme ATG3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)51,4677
Polymers51,2514
Non-polymers2153
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
I: Ubiquitin-like protein ATG12
J: Autophagy protein 5
K: Autophagy-related protein 16-1
L: Ubiquitin-like-conjugating enzyme ATG3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)51,6599
Polymers51,2514
Non-polymers4075
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
M: Ubiquitin-like protein ATG12
N: Autophagy protein 5
O: Autophagy-related protein 16-1
P: Ubiquitin-like-conjugating enzyme ATG3
hetero molecules


Theoretical massNumber of molelcules
Total (without water)51,5638
Polymers51,2514
Non-polymers3114
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)93.584, 120.097, 189.466
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number19
Space group name H-MP212121

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Components

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Protein , 2 types, 8 molecules AEIMBFJN

#1: Protein
Ubiquitin-like protein ATG12 / Autophagy-related protein 12 / APG12-like


Mass: 10282.029 Da / Num. of mol.: 4 / Fragment: UNP residues 52-140
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: APG12, APG12L, ATG12 / Plasmid: pACYC Duet-1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: O94817
#2: Protein
Autophagy protein 5 / / APG5-like / Apoptosis-specific protein


Mass: 32489.195 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: APG5L, ASP, ATG5 / Plasmid: pACYC Duet-1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q9H1Y0

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Protein/peptide , 2 types, 8 molecules CGKODHLP

#3: Protein/peptide
Autophagy-related protein 16-1 / APG16-like 1


Mass: 4657.435 Da / Num. of mol.: 4 / Fragment: UNP residues 11-43
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: APG16L, ATG16L1, UNQ9393/PRO34307 / Plasmid: pET / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q676U5
#4: Protein/peptide
Ubiquitin-like-conjugating enzyme ATG3 / Autophagy-related protein 3 / APG3-like / hApg3 / Protein PC3-96


Mass: 3822.822 Da / Num. of mol.: 4 / Fragment: UNP residues 140-170
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: APG3, APG3L, ATG3 / Plasmid: pET / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)
References: UniProt: Q9NT62, Ligases; Forming carbon-nitrogen bonds; Acid-amino-acid ligases (peptide synthases)

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Non-polymers , 3 types, 612 molecules

#5: Chemical
ChemComp-SO4 / SULFATE ION / Sulfate


Mass: 96.063 Da / Num. of mol.: 11 / Source method: obtained synthetically / Formula: SO4
#6: Chemical
ChemComp-NA / SODIUM ION


Mass: 22.990 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Na
#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 597 / 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: 2.6 Å3/Da / Density % sol: 52.63 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.5
Details: PROTEIN - 10 MG/ML in 0.01M HEPES pH 7.0, 0.15 M NaCl, 0.001 M DTT, RESERVOIR - 0.1M MES pH6.0-6.75, 0.2 M ammonium sulfate, 10-16% PEG 5000 MME, vapor diffusion, sitting drop, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.2.1 / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Jan 1, 2010
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.195→50 Å / Num. obs: 109340 / % possible obs: 99.9 % / Redundancy: 7 % / Rmerge(I) obs: 0.091 / Χ2: 0.99 / Net I/σ(I): 11.2
Reflection shell
Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique allΧ2Diffraction-ID% possible all
2.195-2.2850.859107480.983199.4
2.28-2.376.70.663107930.9461100
2.37-2.487.20.515108400.9681100
2.48-2.617.30.349108590.9821100
2.61-2.777.40.247108391.0081100
2.77-2.997.40.164108830.9871100
2.99-3.297.40.099109190.9911100
3.29-3.767.30.074109780.9631100
3.76-4.747.20.065110481.0391100
4.74-5070.037114331.031100

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Processing

Software
NameVersionClassificationNB
DENZOdata reduction
SCALEPACKdata scaling
PHENIX1.8.2_1309refinement
PDB_EXTRACT3.11data extraction
HKL-2000data collection
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.195→48.832 Å / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.8544 / SU ML: 0.23 / σ(F): 1.34 / Phase error: 21.59 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2153 2000 1.83 %RANDOM
Rwork0.1715 ---
obs0.1723 109211 99.6 %-
all-109211 --
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 170.46 Å2 / Biso mean: 66.975 Å2 / Biso min: 25.38 Å2
Refinement stepCycle: LAST / Resolution: 2.195→48.832 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13277 0 59 597 13933
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00613680
X-RAY DIFFRACTIONf_angle_d0.7618485
X-RAY DIFFRACTIONf_chiral_restr0.0461962
X-RAY DIFFRACTIONf_plane_restr0.0042334
X-RAY DIFFRACTIONf_dihedral_angle_d11.8915163
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 14

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.195-2.24960.30831340.25777214734895
2.2496-2.31040.25721420.22276017743100
2.3104-2.37840.24751420.204275767718100
2.3784-2.45520.25411420.201976627804100
2.4552-2.54290.26321420.18675767718100
2.5429-2.64470.25271430.181976237766100
2.6447-2.76510.20551420.179676397781100
2.7651-2.91090.24061420.183576497791100
2.9109-3.09320.23461430.189176587801100
3.0932-3.3320.20671440.178377037847100
3.332-3.66720.22441430.169176737816100
3.6672-4.19760.17721440.153777507894100
4.1976-5.28750.18051470.135478197966100
5.2875-48.84380.21371500.17180688218100
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)
14.048-2.73030.45472.13761.02075.399-0.169-0.21911.218-0.3353-0.2897-0.2479-0.86010.33120.09271.0203-0.04620.0110.3916-0.12181.03750.424215.80723.2564
23.70571.3425-1.57044.90961.59143.2041-0.6235-0.3521.13320.15050.18481.1991-1.1616-0.60730.32880.83110.0886-0.03770.3618-0.11970.95-7.505410.905624.446
32.8818-0.0945-1.5082.3342-1.33522.5048-0.09140.18070.2575-0.31940.03860.0629-0.70510.0024-0.02440.7984-0.10470.0120.385-0.04160.7503-1.94756.351317.1724
48.7206-1.0397-0.72855.7427-4.38363.6874-0.17910.03041.1197-0.0377-0.0793-0.677-0.55450.32990.25520.7935-0.07380.03630.3849-0.09060.65793.7146.773924.4482
57.57070.20782.84913.2218-0.75283.28430.14420.0913-0.23040.02590.19220.16430.07720.0031-0.30760.27660.00360.07810.2593-0.02410.2239-8.4101-23.494113.4596
62.77820.64590.5861.4816-0.09251.2787-0.049-0.00780.31890.02320.14980.1265-0.2296-0.0403-0.10110.31270.00430.07630.27450.01550.3393-10.6691-13.296114.2609
74.1580.94111.72223.3211.69518.0021-0.19760.29240.14510.03610.2514-0.3655-0.43140.8544-0.05430.2756-0.05630.04010.4281-0.04960.386914.0313-12.217518.5034
82.4263-0.32041.90242.94790.3123.65950.0507-0.70090.22050.57920.05380.1384-0.1485-0.2554-0.09440.3971-0.02870.04490.4184-0.08020.26511.3449-15.831934.8312
92.83744.91912.93088.98645.04413.01480.8694-0.2415-1.15050.76240.1204-0.56030.60870.1991-1.0850.4442-0.0071-0.02480.46320.05580.4363.6809-32.401830.3322
107.7771.82555.0085.80111.36883.5442-0.2250.46-0.1337-0.36040.2256-0.88890.1220.5381-0.06280.3459-0.03250.03550.360.0070.4097-9.5236-35.59929.7966
119.98342.50475.04435.88372.40339.10.5543-0.01580.05330.809-0.45350.58950.7487-0.3642-0.03770.96420.03960.0670.5761-0.09481.3831-11.416318.604928.8676
127.4731-2.56492.81345.9223-0.82596.7721-0.1417-0.0262-1.21440.2473-0.00980.14771.30060.01540.20890.89530.03010.09190.33430.10630.9062-22.055-87.72531.2801
134.01562.1062-0.80444.3576-1.58090.6281-0.2715-0.0537-0.8804-0.32020.039-0.53461.18740.6070.15040.89150.17960.04260.39580.08940.7138-14.7734-83.264827.5252
146.9823-3.9182-2.75274.26515.3958.27260.51221.1032-0.5218-1.65450.0983-0.1984-0.36560.1247-0.40951.1573-0.0669-0.02190.5664-0.02030.8863-24.0984-83.020919.6762
152.45-0.0153-2.78342.76331.53654.40270.0113-0.53410.58970.41970.16140.27870.2640.0245-0.07610.59680.0293-0.06510.3930.10810.5769-22.3448-73.20730.9133
168.9333-1.05140.41872.2344-3.57538.0488-0.2469-1.257-0.8661.3643-0.0233-0.33881.05420.09710.14350.90080.0705-0.06810.51550.18810.5868-18.262-76.833240.1631
179.77031.90250.34436.04112.55663.3677-0.20820.5702-0.7585-0.07210.24051.24660.4571-0.02150.03140.7961-0.0767-0.03770.47380.10310.873-28.5723-80.196228.2147
183.63070.2749-2.3623.9776-0.19855.9366-0.04920.190.0748-0.28840.2722-0.1017-0.08-0.0662-0.15550.286-0.0119-0.09290.2960.06170.3259-18.7848-49.240917.022
193.89781.47710.12854.1067-0.60094.3826-0.23440.3516-0.2715-0.71010.3017-0.29070.41890.0787-0.0770.3888-0.0101-0.00960.28350.00880.3448-13.8641-57.630913.5275
201.60850.7985-1.86030.7078-0.21399.5278-0.0586-0.1633-0.18750.1111-0.08030.08740.482-0.27350.21110.4666-0.0206-0.09580.38610.11760.4661-28.0795-64.878829.7896
217.9326-0.09353.48452.8776-1.7027.92790.1901-0.2607-0.2095-0.21840.58571.03450.6223-1.2741-0.83010.3669-0.0162-0.11370.39690.10510.6201-36.6599-62.742730.2477
227.3097-0.3790.83187.81170.1815.8671-0.1233-0.13880.13820.07220.67581.1607-0.2692-1.0477-0.60080.24030.0402-0.00670.40550.17620.5531-34.8692-52.868931.4802
232.4254-3.7416-3.51497.25323.68978.2369-0.0331-0.5689-0.41281.224-0.28730.49590.7038-0.80680.16030.6042-0.06320.02820.70130.06260.394-29.3709-60.89947.7613
242.57460.5854-1.27583.1392-1.29538.6752-0.0012-0.2976-0.18050.3701-0.1376-0.4060.26320.64370.09730.45590.0813-0.13080.46220.11310.4315-13.7805-61.137743.272
252.2019-0.4233-1.38634.3594-0.04994.11660.1658-0.7064-0.120.6522-0.1472-1.0271-0.03550.8538-0.00880.523-0.0084-0.19880.6030.05590.5252-9.585-50.807740.732
262.4027-0.8948-1.50343.8097-0.34523.739-0.0281-0.29310.04790.29820.0825-0.0456-0.39510.223-0.01380.42280.014-0.06270.38650.06990.3546-18.4515-53.855637.042
274.91271.4935-2.54738.2175-4.86253.54090.2421-0.60270.28151.1631-0.12060.1458-1.404-0.0133-0.14850.51050.016-0.04420.4095-0.0440.3705-18.1874-39.528338.0695
285.5736-1.7385-0.54344.72191.14412.0662-0.51420.48410.1593-0.03550.21380.62130.3352-0.63650.33090.3971-0.0843-0.00470.45910.06020.4263-20.1975-37.320413.1932
296.807-4.8922-2.23968.71017.02467.9142-0.6315-0.2066-0.06460.08650.2883-0.361-0.24350.3230.43451.31840.11780.04820.57270.09661.166-9.0436-90.682727.402
308.5690.0631-1.38326.27310.81194.4226-0.1817-0.77680.12390.69260.3374-0.1549-1.03060.1102-0.22591.12460.21510.01340.518-0.08960.7788-48.90655.085332.8416
312.4611-0.68021.80227.66980.57593.9593-0.2172-0.15810.80440.45650.1022-0.2229-1.1592-0.08150.08011.00550.160.05010.4377-0.04580.6275-45.64995.700524.6612
325.3553-3.20711.71278.2623-5.49233.68070.09120.63920.2705-0.9360.0328-0.90410.31080.46060.10151.0291-0.0321-0.00650.5605-0.02490.7734-38.47012.911318.5622
338.7122-1.11921.7296.06482.24042.062-0.2275-0.5415-0.32680.82290.469-0.1851-0.28110.293-0.21490.70410.1180.03510.4606-0.05760.4304-42.6519-6.582529.3551
346.1677-1.9251-1.19953.30923.70064.39-0.6893-1.24890.62231.92630.0670.7378-0.7138-0.81830.52411.20440.36180.14890.8371-0.11840.5976-48.8839-2.873637.3455
358.91443.01991.43437.5113-0.89363.0629-0.7558-0.09151.070.41390.6456-1.2661-0.86310.2210.06470.85920.1028-0.10250.529-0.05660.6359-36.05030.324627.9701
362.3553-0.36961.12812.24240.04782.65910.0257-0.0781-0.2479-0.03260.19040.09310.1738-0.1715-0.2510.28330.02320.01040.27270.01840.3297-43.2398-30.939814.7585
379.423-0.213-0.24395.90534.65035.24520.28240.75331.0415-1.07570.1558-0.6108-1.3510.7078-0.46920.5372-0.06590.08590.43220.0140.4527-39.6507-23.52891.2708
383.08420.53451.88673.20181.17463.9899-0.0153-0.21910.08660.06730.05670.2491-0.3-0.3098-0.02340.28670.06910.0540.32650.02530.3009-46.2781-20.060618.9713
392.8729-0.1234-0.04743.9263-0.27623.499-0.0704-0.7728-0.04630.91710.23180.3164-0.3398-0.4799-0.11480.55760.16920.09670.54720.08320.2669-44.8329-22.185937.1264
401.78221.0802-0.46644.1192.02752.1033-0.2385-0.8245-0.52691.11260.23260.94411.7844-0.5581-0.15610.71370.04510.11660.76790.29950.592-49.0212-40.01535.9081
414.2958-1.6498-3.16833.86281.36996.8394-0.0991-0.2854-0.55720.35650.1701-0.34580.22010.7364-0.10540.37340-0.1430.36430.02430.48-41.6034-42.82712.2137
423.54030.0856-0.12435.2951.08922.0346-0.32260.06440.03020.21650.280.95040.8459-0.463-0.00081.27160.18150.16560.55980.05320.9803-54.893910.76622.3289
432.3449-1.65531.77735.43252.36557.5332-0.2903-0.1445-0.12120.9929-0.06530.98730.5206-0.28680.23731.146-0.0260.07570.56020.19331.1599-64.1728-93.008221.9297
442.3843-2.68490.15378.29040.96052.620.2253-0.0138-0.46410.4447-0.2883-0.08090.722-0.4494-0.0891.0269-0.03970.00060.48340.19240.8655-60.6651-94.837116.7787
451.5456-0.9290.31564.8485-0.93825.5121-0.2146-0.3474-0.5545-0.66660.002-0.4210.96510.35060.1650.82320.02560.01440.42030.170.8718-53.9971-91.703314.1725
464.9437-6.7857-4.38549.49335.38986.0115-0.25761.16330.3936-0.757-0.321-0.25120.31110.06650.02761.106-0.0735-0.08330.6710.18631.0658-55.4698-90.71756.53
478.2405-4.7576-0.69323.6327-2.15658.1268-0.41670.3244-0.91080.5430.18210.74110.1241-0.25230.16560.6958-0.0473-0.07930.40750.10340.8713-64.2252-81.716514.6038
486.2373-1.7399-0.20647.54313.53392.0775-0.1753-0.0836-0.76340.2542-0.0811.05430.7374-0.21810.26470.8585-0.0879-0.080.47460.2070.9117-67.0557-87.243215.8514
495.6922-0.5222-0.13543.5673-0.99333.03040.02010.1573-0.0449-0.03780.0268-0.21810.19510.1609-0.04740.35960.0012-0.06190.26820.02090.4105-49.8493-60.32679.0667
503.30580.50350.95684.638-0.33691.36840.0655-0.129-0.46790.20630.05370.03760.2852-0.0982-0.08120.4539-0.006-0.05290.2680.08340.4027-55.4771-69.189311.6579
515.14860.9327-2.30116.8772-0.8485.6928-0.24320.4674-0.1824-0.7670.31091.16730.7844-0.8296-0.10720.5094-0.0883-0.21490.54810.15530.7029-73.2552-67.45853.5617
523.47250.8832-1.55474.15930.23273.7974-0.038-0.6367-0.49791.02330.18310.71750.2562-0.3515-0.11290.67620.05430.15630.54490.29110.7167-70.6288-65.985825.7217
538.63263.6282-5.30596.0176-2.28615.76260.3872-0.39570.86121.51020.44461.2147-0.3342-0.4626-0.81530.66580.12290.19720.5340.12210.6452-69.733-48.443822.5083
548.92190.9742-6.65542.3813-0.74887.2168-0.12720.2694-0.3332-0.17420.07240.33150.0892-0.3166-0.00760.40360.0071-0.07010.31870.00740.4494-51.1251-44.54716.2493
556.86133.6694-1.847.5233-1.04315.67550.56840.0390.79041.58830.55530.0704-0.3383-0.4373-1.18131.24640.0639-0.03980.62860.18021.3115-53.2108-98.752123.9436
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 53 through 71 )A0
2X-RAY DIFFRACTION2chain 'A' and (resid 72 through 91 )A0
3X-RAY DIFFRACTION3chain 'A' and (resid 92 through 115 )A0
4X-RAY DIFFRACTION4chain 'A' and (resid 116 through 140 )A0
5X-RAY DIFFRACTION5chain 'B' and (resid 2 through 49 )B0
6X-RAY DIFFRACTION6chain 'B' and (resid 50 through 137 )B0
7X-RAY DIFFRACTION7chain 'B' and (resid 138 through 186 )B0
8X-RAY DIFFRACTION8chain 'B' and (resid 187 through 274 )B0
9X-RAY DIFFRACTION9chain 'C' and (resid 10 through 28 )C0
10X-RAY DIFFRACTION10chain 'C' and (resid 29 through 43 )C0
11X-RAY DIFFRACTION11chain 'D' and (resid 153 through 165 )D0
12X-RAY DIFFRACTION12chain 'E' and (resid 53 through 71 )E0
13X-RAY DIFFRACTION13chain 'E' and (resid 72 through 91 )E0
14X-RAY DIFFRACTION14chain 'E' and (resid 92 through 103 )E0
15X-RAY DIFFRACTION15chain 'E' and (resid 104 through 115 )E0
16X-RAY DIFFRACTION16chain 'E' and (resid 116 through 128 )E0
17X-RAY DIFFRACTION17chain 'E' and (resid 129 through 140 )E0
18X-RAY DIFFRACTION18chain 'F' and (resid 3 through 49 )F0
19X-RAY DIFFRACTION19chain 'F' and (resid 50 through 117 )F0
20X-RAY DIFFRACTION20chain 'F' and (resid 118 through 137 )F0
21X-RAY DIFFRACTION21chain 'F' and (resid 138 through 158 )F0
22X-RAY DIFFRACTION22chain 'F' and (resid 159 through 173 )F0
23X-RAY DIFFRACTION23chain 'F' and (resid 174 through 186 )F0
24X-RAY DIFFRACTION24chain 'F' and (resid 187 through 222 )F0
25X-RAY DIFFRACTION25chain 'F' and (resid 223 through 250 )F0
26X-RAY DIFFRACTION26chain 'F' and (resid 251 through 273 )F0
27X-RAY DIFFRACTION27chain 'G' and (resid 10 through 28 )G0
28X-RAY DIFFRACTION28chain 'G' and (resid 29 through 43 )G0
29X-RAY DIFFRACTION29chain 'H' and (resid 154 through 165 )H0
30X-RAY DIFFRACTION30chain 'I' and (resid 53 through 61 )I0
31X-RAY DIFFRACTION31chain 'I' and (resid 62 through 91 )I0
32X-RAY DIFFRACTION32chain 'I' and (resid 92 through 103 )I0
33X-RAY DIFFRACTION33chain 'I' and (resid 104 through 115 )I0
34X-RAY DIFFRACTION34chain 'I' and (resid 116 through 128 )I0
35X-RAY DIFFRACTION35chain 'I' and (resid 129 through 140 )I0
36X-RAY DIFFRACTION36chain 'J' and (resid 4 through 49 )J0
37X-RAY DIFFRACTION37chain 'J' and (resid 50 through 68 )J0
38X-RAY DIFFRACTION38chain 'J' and (resid 69 through 137 )J0
39X-RAY DIFFRACTION39chain 'J' and (resid 138 through 272 )J0
40X-RAY DIFFRACTION40chain 'K' and (resid 10 through 28 )K0
41X-RAY DIFFRACTION41chain 'K' and (resid 29 through 43 )K0
42X-RAY DIFFRACTION42chain 'L' and (resid 154 through 165 )L0
43X-RAY DIFFRACTION43chain 'M' and (resid 53 through 61 )M0
44X-RAY DIFFRACTION44chain 'M' and (resid 62 through 80 )M0
45X-RAY DIFFRACTION45chain 'M' and (resid 81 through 91 )M0
46X-RAY DIFFRACTION46chain 'M' and (resid 92 through 103 )M0
47X-RAY DIFFRACTION47chain 'M' and (resid 104 through 115 )M0
48X-RAY DIFFRACTION48chain 'M' and (resid 116 through 140 )M0
49X-RAY DIFFRACTION49chain 'N' and (resid 3 through 90 )N0
50X-RAY DIFFRACTION50chain 'N' and (resid 91 through 137 )N0
51X-RAY DIFFRACTION51chain 'N' and (resid 138 through 172 )N0
52X-RAY DIFFRACTION52chain 'N' and (resid 173 through 273 )N0
53X-RAY DIFFRACTION53chain 'O' and (resid 10 through 28 )O0
54X-RAY DIFFRACTION54chain 'O' and (resid 29 through 43 )O0
55X-RAY DIFFRACTION55chain 'P' and (resid 153 through 165 )P0

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