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- PDB-7zlx: Crystal Structure of the TSG101-UEV domain:space group P21 -

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Basic information

Entry
Database: PDB / ID: 7zlx
TitleCrystal Structure of the TSG101-UEV domain:space group P21
ComponentsTumor susceptibility gene 101 protein
KeywordsPROTEIN BINDING / UEV-domain
Function / homology
Function and homology information


positive regulation of viral budding via host ESCRT complex / positive regulation of ubiquitin-dependent endocytosis / extracellular transport / ESCRT I complex / negative regulation of epidermal growth factor-activated receptor activity / regulation of extracellular exosome assembly / viral budding / regulation of MAP kinase activity / exosomal secretion / protein transport to vacuole involved in ubiquitin-dependent protein catabolic process via the multivesicular body sorting pathway ...positive regulation of viral budding via host ESCRT complex / positive regulation of ubiquitin-dependent endocytosis / extracellular transport / ESCRT I complex / negative regulation of epidermal growth factor-activated receptor activity / regulation of extracellular exosome assembly / viral budding / regulation of MAP kinase activity / exosomal secretion / protein transport to vacuole involved in ubiquitin-dependent protein catabolic process via the multivesicular body sorting pathway / positive regulation of exosomal secretion / membrane fission / ubiquitin-dependent protein catabolic process via the multivesicular body sorting pathway / multivesicular body assembly / Flemming body / virion binding / endosome to lysosome transport / viral budding via host ESCRT complex / negative regulation of epidermal growth factor receptor signaling pathway / viral release from host cell / autophagosome maturation / Membrane binding and targetting of GAG proteins / Endosomal Sorting Complex Required For Transport (ESCRT) / keratinocyte differentiation / multivesicular body / HCMV Late Events / ubiquitin binding / Late endosomal microautophagy / Budding and maturation of HIV virion / macroautophagy / regulation of cell growth / protein modification process / calcium-dependent protein binding / late endosome membrane / transcription corepressor activity / late endosome / early endosome membrane / early endosome / endosome membrane / regulation of cell cycle / endosome / negative regulation of cell population proliferation / cell division / ubiquitin protein ligase binding / centrosome / protein-containing complex binding / nucleolus / negative regulation of transcription by RNA polymerase II / protein homodimerization activity / DNA binding / extracellular exosome / plasma membrane / cytosol / cytoplasm
Similarity search - Function
Steadiness box (SB) domain / Vps23 core domain / Steadiness box (SB) domain profile. / Ubiquitin E2 variant, N-terminal / : / UEV domain / UEV domain profile. / ESCRT assembly domain / Ubiquitin-conjugating enzyme E2, catalytic domain homologues / Ubiquitin-conjugating enzyme/RWD-like
Similarity search - Domain/homology
Tumor susceptibility gene 101 protein
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.25 Å
Model detailspH 7.0 P21 polymorph
AuthorsCamara-Artigas, A.
Funding support Spain, 1items
OrganizationGrant numberCountry
Ministerio de Ciencia e Innovacion (MCIN)BIO2016-78020-R Spain
CitationJournal: To be published
Title: Crystal Structure of the TSG101-UEV domain:space group P21
Authors: Camara-Artigas, A.
History
DepositionApr 16, 2022Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 22, 2022Provider: repository / Type: Initial release
Revision 1.1Jan 31, 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: Tumor susceptibility gene 101 protein
B: Tumor susceptibility gene 101 protein
C: Tumor susceptibility gene 101 protein
D: Tumor susceptibility gene 101 protein
E: Tumor susceptibility gene 101 protein
F: Tumor susceptibility gene 101 protein
G: Tumor susceptibility gene 101 protein
H: Tumor susceptibility gene 101 protein
I: Tumor susceptibility gene 101 protein
J: Tumor susceptibility gene 101 protein
K: Tumor susceptibility gene 101 protein
L: Tumor susceptibility gene 101 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)219,85522
Polymers218,89412
Non-polymers96110
Water9,422523
1
A: Tumor susceptibility gene 101 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)18,3372
Polymers18,2411
Non-polymers961
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: Tumor susceptibility gene 101 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)18,3372
Polymers18,2411
Non-polymers961
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: Tumor susceptibility gene 101 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)18,3372
Polymers18,2411
Non-polymers961
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: Tumor susceptibility gene 101 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)18,3372
Polymers18,2411
Non-polymers961
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
E: Tumor susceptibility gene 101 protein


Theoretical massNumber of molelcules
Total (without water)18,2411
Polymers18,2411
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
F: Tumor susceptibility gene 101 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)18,3372
Polymers18,2411
Non-polymers961
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
7
G: Tumor susceptibility gene 101 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)18,3372
Polymers18,2411
Non-polymers961
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
8
H: Tumor susceptibility gene 101 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)18,3372
Polymers18,2411
Non-polymers961
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
9
I: Tumor susceptibility gene 101 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)18,3372
Polymers18,2411
Non-polymers961
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
10
J: Tumor susceptibility gene 101 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)18,3372
Polymers18,2411
Non-polymers961
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
11
K: Tumor susceptibility gene 101 protein


Theoretical massNumber of molelcules
Total (without water)18,2411
Polymers18,2411
Non-polymers00
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
12
L: Tumor susceptibility gene 101 protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)18,3372
Polymers18,2411
Non-polymers961
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)38.921, 168.223, 195.548
Angle α, β, γ (deg.)90.000, 92.910, 90.000
Int Tables number4
Space group name H-MP1211
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z

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Components

#1: Protein
Tumor susceptibility gene 101 protein / ESCRT-I complex subunit TSG101 / TSG101


Mass: 18241.164 Da / Num. of mol.: 12 / Fragment: UEV domain, residues 1-145
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: TSG101 / Plasmid: pET15 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q99816
#2: Chemical
ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: SO4
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 523 / 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: 2.92 Å3/Da / Density % sol: 57.89 % / Mosaicity: 0.23 °
Crystal growTemperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7
Details: 25 % PEG 4000, 0.25 M Ammonium Sulfate, 0.1 proline, 0.1 M HEPES

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: ID23-2 / Wavelength: 0.8726 Å
DetectorType: DECTRIS PILATUS3 X 2M / Detector: PIXEL / Date: Jul 5, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.8726 Å / Relative weight: 1
ReflectionResolution: 2.25→39.06 Å / Num. obs: 107096 / % possible obs: 90.2 % / Redundancy: 4.4 % / Biso Wilson estimate: 34.19 Å2 / CC1/2: 0.994 / Rmerge(I) obs: 0.134 / Rpim(I) all: 0.067 / Rrim(I) all: 0.15 / Net I/σ(I): 7.2 / Num. measured all: 474707 / Scaling rejects: 12
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
2.25-2.294.51.0242479054500.5580.5031.1491.390.8
12.32-39.064.80.04827285730.9980.0220.05320.877

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
PHENIX1.20.4459refinement
XDSdata reduction
Aimless0.7.7data scaling
PHASERphasing
PDB_EXTRACT3.27data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2F0R

2f0r


Resolution: 2.25→39.06 Å / SU ML: 0.32 / Cross valid method: THROUGHOUT / σ(F): 1.04 / Phase error: 27.42 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2445 5170 4.83 %
Rwork0.2255 101888 -
obs0.2264 107058 90.16 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 133.79 Å2 / Biso mean: 48.1535 Å2 / Biso min: 21.4 Å2
Refinement stepCycle: final / Resolution: 2.25→39.06 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12855 0 50 523 13428
Biso mean--56.48 39.99 -
Num. residues----1721
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.25-2.280.35941600.33363483364391
2.28-2.30.31282020.32243442364491
2.3-2.330.31671630.31923387355093
2.33-2.360.36411810.32123429361092
2.36-2.390.31992000.30473457365792
2.39-2.420.34061760.30193494367091
2.42-2.460.3061990.29783409360893
2.46-2.490.29811920.28913425361792
2.5-2.530.29881650.28323437360292
2.53-2.580.32871850.27963503368891
2.58-2.620.33751650.27143488365393
2.62-2.670.33561530.27843429358292
2.67-2.720.33781940.27053459365392
2.72-2.770.28761630.25953463362690
2.77-2.830.28281600.25313357351790
2.83-2.90.30341810.25323399358091
2.9-2.970.29771640.25953480364491
2.97-3.050.31540.25523440359492
3.05-3.140.3041470.24773365351290
3.14-3.240.28291980.23283488368691
3.24-3.360.21671680.2213337350591
3.36-3.490.23191710.20923435360691
3.5-3.650.20541510.20393390354190
3.65-3.850.19011880.19553387357589
3.85-4.090.19262010.17553243344488
4.09-4.40.17661850.15913346353188
4.4-4.840.16331620.15463241340385
4.84-5.540.20651350.18183296343186
5.54-6.980.21481630.21893240340386
6.98-39.060.21011440.20733139328381
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)
11.0669-1.83930.9855.2324-2.75352.08730.18570.76910.0501-1.1024-0.3829-1.730.38730.7330.18380.61740.20320.24170.5559-0.03790.736648.80351.034443.0068
24.4718-1.197-2.29596.91081.81865.8225-0.19630.08-0.53250.0763-0.0176-0.65710.30250.32320.22150.2980.02750.02910.36620.03340.316643.859658.071552.4594
37.9665-3.9188-2.61387.06796.11257.7858-0.6863-0.2819-0.32971.60560.46660.48870.68170.18080.20340.47830.03590.07910.26280.08020.258238.522463.527562.6086
41.57970.2752-0.84362.47210.79579.0231-0.09270.0493-0.456-0.0493-0.0248-0.22431.01250.02130.13310.540.02990.01760.2353-0.03410.283434.540953.063958.4716
53.09392.02033.94049.55296.82039.218-0.17550.0343-0.1724-0.8388-0.12870.258-0.641-0.09360.29910.39880.0290.00850.21960.0110.218131.577960.595851.2912
66.2723.9536.00444.00914.355.9780.2780.06740.38620.3772-0.15560.30311.0293-0.4072-0.18870.3564-0.0331-0.01510.37740.07890.235333.346963.01471.3084
74.0440.35210.06056.1532-0.07455.6765-0.0015-0.1737-0.4877-0.7316-0.0140.43950.4084-0.54280.02610.4243-0.0697-0.07330.38280.06110.382529.6565-29.351746.7172
81.9387-0.640.26573.9651-1.22757.28230.115-0.073-0.1376-0.266-0.23660.0507-0.37110.39270.11030.4695-0.0726-0.01650.330.10750.325639.2696-28.730241.7627
93.60670.8259-0.77827.95563.61387.35230.519-0.16230.3281-0.05090.3732-1.0205-0.29360.9645-0.93280.2515-0.01340.03720.5867-0.08930.666157.1846-23.3075-5.3459
103.59390.82240.48293.94976.10832.11380.11310.1511-0.1672-0.2583-0.0121-0.6161-0.27020.4432-0.21610.361-0.0260.00830.2825-0.00030.246848.9568-25.6817-6.9885
113.9611-3.158-0.82792.8766-0.82095.5697-0.5432-0.7305-1.07640.12921.01610.31740.68580.2376-0.44030.3709-0.0334-0.03170.43330.08040.620649.2871-30.92154.8367
122.6212-0.6716-1.55975.4994.88426.7214-0.0507-0.354-0.18980.48680.2357-0.365-0.37720.4842-0.17220.4504-0.0519-0.0670.2390.03980.234343.6701-24.88814.9828
133.1130.07340.57012.42564.25277.6095-0.0462-0.3725-0.08910.8010.36320.04030.2070.2585-0.3260.8916-0.0443-0.08840.29570.0360.302243.6121-27.370913.8251
141.8287-0.619-0.34476.0572-0.16485.14140.1067-0.22-0.23520.66170.02220.48120.6123-0.4701-0.06880.3982-0.08-0.00890.22860.00710.36534.617-28.5425.7181
151.2751-0.81090.01433.51311.01575.6989-0.0792-0.4064-0.13421.2212-0.0740.20940.644-0.22790.07080.5524-0.08010.01630.30810.03590.265235.605-19.547511.0433
166.11185.28272.96796.543.71666.6663-0.21840.5087-0.1886-0.25790.8202-1.3883-0.06091.1811-0.62510.31950.00030.07640.3984-0.0850.544150.076-28.678189.4112
172.8831-0.9578-0.727.51317.74438.93980.06950.29120.0118-1.4309-0.1584-0.344-1.22980.52960.0230.4887-0.06340.04390.33730.03860.239643.6934-23.976488.8169
185.3147-3.6644-0.30867.8149-1.45815.7698-0.2159-0.7439-1.09940.40960.474-0.04090.25680.2276-0.27930.2402-0.1005-0.02060.50980.06550.525344.9748-32.5729100.7423
195.8291-4.3701-3.77335.77865.31989.6901-0.3052-0.06690.00090.91960.1558-0.42340.2030.11870.15250.397-0.0539-0.07280.2050.03720.237539.3792-23.1121104.6382
206.1362-1.822-0.36267.81493.23633.9880.19160.1931-0.6004-0.0771-0.17250.1269-0.2626-0.04490.01870.1789-0.02760.01010.1621-0.03740.289538.4308-34.739690.7855
216.22252.00923.25862.44654.13727.20790.0408-0.3724-0.39980.05160.1229-0.3506-0.04390.0938-0.15310.6603-0.0361-0.02110.25940.0450.280739.7985-28.6315109.8523
221.55170.36011.87711.9731.89854.60860.0266-0.3241-0.32870.4249-0.0030.19930.8408-0.5417-0.00060.4489-0.12110.03160.30010.0390.316130.4292-30.7147107.1181
233.4387-2.219-2.57176.64256.44366.9298-0.12180.0012-0.3046-0.0318-0.08550.5465-0.0415-0.30910.15370.2231-0.0130.01340.17130.03540.210730.7955-24.646995.279
246.72212.5975.82492.39184.51288.7305-0.5425-0.02060.60990.72710.1502-0.3036-1.9968-0.39930.36660.9156-0.0824-0.04250.34250.01080.258132.646-20.4333116.6848
253.82841.5311-0.64543.74172.17681.99370.0431-0.07130.15480.4056-0.5401-1.55670.39030.77870.43260.3164-0.011-0.04310.55360.08610.655452.677541.411918.8069
264.92310.0557-1.07786.3363-1.11632.29940.15720.80770.2067-0.2344-0.1217-0.65040.1490.06610.00640.25190.0694-0.04350.3649-0.01150.34246.766236.756715.9567
275.22082.7898-1.14827.7245-3.27743.8179-0.18030.00030.1049-0.22-0.1105-0.73620.70890.62820.26380.36260.2030.0250.3772-0.040.296343.720129.007515.6357
282.33271.8265-2.84574.6521-6.04898.2108-0.35560.2012-0.0968-0.61930.179-0.25480.4701-0.2030.20080.29930.0388-0.0460.1978-0.00730.201839.666131.437915.6424
293.14360.5905-1.7186.82841.53773.8918-0.06290.3058-0.3207-0.11520.0310.27010.9652-0.00670.02280.4166-0.0012-0.05020.2346-0.02170.243235.387125.66319.4297
303.56630.2344-1.05115.2742-4.80096.7660.046-0.05830.2110.32210.31030.3614-0.5451-0.3163-0.34690.2610.03420.04240.2156-0.02530.189932.758835.147219.3026
315.6602-3.3828-6.32127.65522.65967.2773-0.2298-0.5621-0.27910.3169-0.1331.31631.6910.1760.38591.0187-0.021-0.02870.3229-0.06930.326633.62114.184214.3933
323.688-2.3015-1.47799.26472.732.5822-0.1411-0.269-0.09630.32310.00150.98040.4247-0.33130.13310.3083-0.0862-0.00030.32970.00780.32327.1902-53.46480.377
332.0771-1.6592-0.54913.2770.94122.7095-0.0165-0.165-0.08070.12610.0405-0.07140.44740.065-0.02760.3951-0.0586-0.00650.1902-0.01250.21237.9628-56.670884.1619
347.592-0.1027-1.25192.50351.90745.3820.07110.1513-0.38350.4561-0.14570.0646-0.345-0.27110.05180.4673-0.0717-0.0120.3279-0.00930.250421.401-11.1229-11.0004
354.9928-0.58542.34073.96162.97453.7878-0.06210.37221.0774-0.445-0.4029-0.4873-0.40850.76080.32370.4889-0.11760.09970.47980.03560.564426.0308-0.2192-9.0452
362.9356-0.15430.57892.22873.45095.3868-0.07510.04290.2690.1982-0.1980.0593-0.4811-0.39470.28420.5304-0.02890.02430.21590.01450.236930.0744-2.535-3.0598
372.1036-1.4092-0.89017.12792.99633.38080.0643-0.0970.2286-0.1512-0.0561-0.1971-0.40020.0065-0.00280.4227-0.03530.01080.21340.00390.208236.86380.0667-0.1466
387.06771.849-4.94712.1107-0.66073.66210.05750.96370.2620.47130.1180.2689-0.4334-1.0779-0.17340.59310.0130.00330.53750.05650.270712.7021-11.091384.4653
398.75351.074-8.15776.742-2.34832.0136-0.045-0.5794-0.96530.919-0.3278-0.21450.9798-0.13290.40890.4502-0.1042-0.03170.36820.0340.293121.2856-15.339987.6996
404.7444-0.2091.95923.91772.64893.09-0.09930.45690.7002-0.3228-0.21120.0064-0.62710.11680.21640.3904-0.01390.0280.24660.06070.376522.9183-1.838793.3119
411.67141.11730.30426.69964.27813.90810.08330.12660.2596-0.2027-0.01090.1399-0.6921-0.0612-0.08570.3770.00850.03870.21970.0570.242328.93370.534591.1131
425.5157-4.2293-1.11178.20594.3124.16740.54430.10220.8239-1.4841-0.2172-0.7194-1.24330.0825-0.30580.5948-0.06140.09390.2790.00030.28135.2884-0.447990.6774
433.32051.31411.09898.64524.94468.81530.12340.14610.06520.0079-0.13790.01440.98240.17010.0460.40390.0128-0.03660.19430.02440.191133.1341-10.474592.8445
444.6261-4.2176-1.80527.91076.13326.5112-0.2276-0.1537-0.27920.7583-0.03320.0074-0.4181-0.22260.2610.82340.03930.0870.2476-0.02860.40430.62415.1073107.3409
454.2799-0.2891.91164.6739-1.00414.9083-0.2429-0.32190.3109-0.38120.1894-0.2598-0.83940.19810.05790.5698-0.07480.07010.4728-0.02570.277242.1382-8.298963.7472
462.4795-0.7255-0.50614.1055-0.7932.5247-0.05650.16650.1741-0.73490.07470.0899-0.294-0.1162-0.0230.6229-0.0642-0.0070.40640.05930.23431.8479-3.032558.0895
479.1807-0.6594-4.42397.29083.68545.32720.00280.7905-0.1557-0.36340.00290.8077-0.0378-1.2366-0.04270.3956-0.0599-0.08920.63990.04150.292826.5095-97.336924.7896
484.8118-0.920.83456.9505-0.30372.769-0.1270.60910.3007-0.67360.2045-0.2749-0.2166-0.317-0.11040.37040.00510.02420.3816-0.0070.231631.04-95.784932.2252
495.7844-1.28034.19074.7125-0.84327.7373-0.0473-0.42440.37720.4221-0.0532-0.1624-0.8201-0.40370.11720.3635-0.04030.08440.2474-0.02090.262136.0533-90.272242.9054
504.73990.4851-0.675.06121.53336.11540.08360.02490.5631-0.07560.1205-0.0408-1.01350.4962-0.20410.4536-0.06830.06810.2990.00740.239741.1929-86.149235.3347
516.8810.19860.13853.4274.52556.23030.12790.0852-0.0423-0.1521-0.3314-0.17690.75770.51630.19210.48950.01590.00750.33630.03490.224344.7158-96.530136.1433
526.5746-4.3508-4.38076.99775.52435.96840.338-1.00550.26651.40330.749-0.8566-0.6320.4058-1.07960.88140.0621-0.00690.4666-0.1080.371342.4749-82.082351.6607
534.17554.12734.58794.07464.5215.0249-0.8855-1.5745-0.22970.7641-0.34880.49440.5591-1.01961.2211.2747-0.06390.26580.6143-0.13110.65377.350330.500432.88
543.4723.31483.26483.6362.51763.94760.121-0.53681.41670.1248-0.55620.8659-0.334-1.03220.44440.42250.1668-0.01880.4018-0.17290.641818.78143.795338.752
559.09854.72782.10019.22746.04714.1363-0.08350.1610.1458-0.4468-0.09240.00540.1049-0.10760.16380.50260.1016-0.06610.3064-0.04630.234223.163438.295731.5989
564.3225-1.9852-1.37235.7751-0.31062.7089-0.1237-1.10580.070.67450.41630.00760.04610.2906-0.27610.37490.0001-0.02640.5060.01490.279223.774429.750342.3652
572.40292.3251-0.2136.46143.38663.2946-0.2905-0.2557-0.25730.41820.0141-0.01651.1207-0.06940.21460.75910.13080.05320.32580.04730.271327.304820.130737.4819
582.72661.60380.70685.71610.75814.3419-0.2774-0.71930.99430.4950.05950.13250.1402-0.33290.25090.29620.112-0.01020.3645-0.12760.348330.417141.358941.1337
594.94055.1185-1.56452.013-5.53666.38130.2189-0.284-0.20631.02530.67570.87280.4013-0.4247-0.90770.76330.10320.08690.39550.05970.46126.999522.416345.8708
601.97450.2091-0.39666.77850.5274.1437-0.0055-0.3723-0.2430.35940.0506-0.11960.55590.2362-0.05490.43510.0672-0.01960.3482-0.0060.222535.442825.783939.2407
618.3339-4.99056.31813.8689-3.13434.9078-0.00291.08410.7511-0.5593-0.3725-0.69230.14220.78170.38510.4559-0.1120.04870.44960.10590.395658.0149-48.302960.7675
626.0048-2.69041.75022.0165-7.26595.19390.1886-0.4608-0.27761.3653-0.1559-0.1076-0.62990.0559-0.01490.6505-0.0888-0.10230.35070.03450.371849.9166-49.579366.0873
634.79361.4998-1.37997.3334-2.50144.9417-0.22760.6467-0.1469-0.7030.2171-0.32110.8050.18770.01220.47920.01980.03570.4081-0.06630.260148.3954-61.721758.3794
643.4770.0104-0.11943.38470.5553.0316-0.03220.6187-0.2141-0.71570.03310.13030.2568-0.07920.00440.565-0.0479-0.0240.36420.00430.203540.1951-59.236553.7558
653.3963-0.9483-0.30196.3051-2.5448.92640.15910.0920.0171.0651-0.00130.45710.0083-0.1537-0.17150.3799-0.02310.05120.26220.00550.21837.8627-56.231564.175
666.436-5.5702-0.79396.43053.34237.1019-0.9451-0.95050.12050.61940.01790.93651.1539-0.49170.94611.12850.0977-0.06340.4602-0.20280.512739.8171-75.718956.3356
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'K' and (resid 6 through 17 )K6 - 17
2X-RAY DIFFRACTION2chain 'K' and (resid 18 through 63 )K18 - 63
3X-RAY DIFFRACTION3chain 'K' and (resid 64 through 75 )K64 - 75
4X-RAY DIFFRACTION4chain 'K' and (resid 76 through 115 )K76 - 115
5X-RAY DIFFRACTION5chain 'K' and (resid 116 through 137 )K116 - 137
6X-RAY DIFFRACTION6chain 'K' and (resid 138 through 145 )K138 - 145
7X-RAY DIFFRACTION7chain 'L' and (resid 6 through 75 )L6 - 75
8X-RAY DIFFRACTION8chain 'L' and (resid 76 through 145 )L76 - 145
9X-RAY DIFFRACTION9chain 'A' and (resid 2 through 11 )A2 - 11
10X-RAY DIFFRACTION10chain 'A' and (resid 12 through 31 )A12 - 31
11X-RAY DIFFRACTION11chain 'A' and (resid 32 through 48 )A32 - 48
12X-RAY DIFFRACTION12chain 'A' and (resid 49 through 85 )A49 - 85
13X-RAY DIFFRACTION13chain 'A' and (resid 86 through 94 )A86 - 94
14X-RAY DIFFRACTION14chain 'A' and (resid 95 through 123 )A95 - 123
15X-RAY DIFFRACTION15chain 'A' and (resid 124 through 145 )A124 - 145
16X-RAY DIFFRACTION16chain 'B' and (resid 1 through 17 )B1 - 17
17X-RAY DIFFRACTION17chain 'B' and (resid 18 through 31 )B18 - 31
18X-RAY DIFFRACTION18chain 'B' and (resid 32 through 48 )B32 - 48
19X-RAY DIFFRACTION19chain 'B' and (resid 49 through 75 )B49 - 75
20X-RAY DIFFRACTION20chain 'B' and (resid 76 through 85 )B76 - 85
21X-RAY DIFFRACTION21chain 'B' and (resid 86 through 94 )B86 - 94
22X-RAY DIFFRACTION22chain 'B' and (resid 95 through 115 )B95 - 115
23X-RAY DIFFRACTION23chain 'B' and (resid 116 through 137 )B116 - 137
24X-RAY DIFFRACTION24chain 'B' and (resid 138 through 145 )B138 - 145
25X-RAY DIFFRACTION25chain 'C' and (resid 0 through 17 )C0 - 17
26X-RAY DIFFRACTION26chain 'C' and (resid 18 through 48 )C18 - 48
27X-RAY DIFFRACTION27chain 'C' and (resid 49 through 63 )C49 - 63
28X-RAY DIFFRACTION28chain 'C' and (resid 64 through 85 )C64 - 85
29X-RAY DIFFRACTION29chain 'C' and (resid 86 through 115 )C86 - 115
30X-RAY DIFFRACTION30chain 'C' and (resid 116 through 137 )C116 - 137
31X-RAY DIFFRACTION31chain 'C' and (resid 138 through 145 )C138 - 145
32X-RAY DIFFRACTION32chain 'D' and (resid 0 through 75 )D0 - 75
33X-RAY DIFFRACTION33chain 'D' and (resid 76 through 145 )D76 - 145
34X-RAY DIFFRACTION34chain 'E' and (resid -1 through 29 )E-1 - 29
35X-RAY DIFFRACTION35chain 'E' and (resid 30 through 48 )E30 - 48
36X-RAY DIFFRACTION36chain 'E' and (resid 49 through 85 )E49 - 85
37X-RAY DIFFRACTION37chain 'E' and (resid 86 through 145 )E86 - 145
38X-RAY DIFFRACTION38chain 'F' and (resid -2 through 17 )F-2 - 17
39X-RAY DIFFRACTION39chain 'F' and (resid 18 through 31 )F18 - 31
40X-RAY DIFFRACTION40chain 'F' and (resid 32 through 75 )F32 - 75
41X-RAY DIFFRACTION41chain 'F' and (resid 76 through 104 )F76 - 104
42X-RAY DIFFRACTION42chain 'F' and (resid 105 through 115 )F105 - 115
43X-RAY DIFFRACTION43chain 'F' and (resid 116 through 137 )F116 - 137
44X-RAY DIFFRACTION44chain 'F' and (resid 138 through 145 )F138 - 145
45X-RAY DIFFRACTION45chain 'G' and (resid 6 through 63 )G6 - 63
46X-RAY DIFFRACTION46chain 'G' and (resid 64 through 145 )G64 - 145
47X-RAY DIFFRACTION47chain 'H' and (resid 4 through 17 )H4 - 17
48X-RAY DIFFRACTION48chain 'H' and (resid 18 through 49 )H18 - 49
49X-RAY DIFFRACTION49chain 'H' and (resid 50 through 75 )H50 - 75
50X-RAY DIFFRACTION50chain 'H' and (resid 76 through 115 )H76 - 115
51X-RAY DIFFRACTION51chain 'H' and (resid 116 through 137 )H116 - 137
52X-RAY DIFFRACTION52chain 'H' and (resid 138 through 145 )H138 - 145
53X-RAY DIFFRACTION53chain 'I' and (resid -2 through 4 )I-2 - 4
54X-RAY DIFFRACTION54chain 'I' and (resid 5 through 17 )I5 - 17
55X-RAY DIFFRACTION55chain 'I' and (resid 18 through 31 )I18 - 31
56X-RAY DIFFRACTION56chain 'I' and (resid 32 through 63 )I32 - 63
57X-RAY DIFFRACTION57chain 'I' and (resid 64 through 75 )I64 - 75
58X-RAY DIFFRACTION58chain 'I' and (resid 76 through 85 )I76 - 85
59X-RAY DIFFRACTION59chain 'I' and (resid 86 through 94 )I86 - 94
60X-RAY DIFFRACTION60chain 'I' and (resid 95 through 145 )I95 - 145
61X-RAY DIFFRACTION61chain 'J' and (resid -2 through 17 )J-2 - 17
62X-RAY DIFFRACTION62chain 'J' and (resid 18 through 31 )J18 - 31
63X-RAY DIFFRACTION63chain 'J' and (resid 32 through 75 )J32 - 75
64X-RAY DIFFRACTION64chain 'J' and (resid 76 through 115 )J76 - 115
65X-RAY DIFFRACTION65chain 'J' and (resid 116 through 137 )J116 - 137
66X-RAY DIFFRACTION66chain 'J' and (resid 138 through 145 )J138 - 145

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