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- PDB-8e8u: Structure of the LOR domain of human AASS -

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Basic information

Entry
Database: PDB / ID: 8e8u
TitleStructure of the LOR domain of human AASS
ComponentsAlpha-aminoadipic semialdehyde synthase, mitochondrial
KeywordsOXIDOREDUCTASE / lysine metabolism / ketoglutarate / mitochondrial / reductase
Function / homology
Function and homology information


saccharopine dehydrogenase (NADP+, L-lysine-forming) / saccharopine dehydrogenase (NAD+, L-glutamate-forming) / saccharopine dehydrogenase (NADP+, L-lysine-forming) activity / saccharopine dehydrogenase (NAD+, L-glutamate-forming) activity / saccharopine dehydrogenase activity / saccharopine dehydrogenase (NAD+, L-lysine-forming) activity / lysine catabolic process / L-lysine catabolic process to acetyl-CoA via saccharopine / lysine biosynthetic process via aminoadipic acid / Lysine catabolism ...saccharopine dehydrogenase (NADP+, L-lysine-forming) / saccharopine dehydrogenase (NAD+, L-glutamate-forming) / saccharopine dehydrogenase (NADP+, L-lysine-forming) activity / saccharopine dehydrogenase (NAD+, L-glutamate-forming) activity / saccharopine dehydrogenase activity / saccharopine dehydrogenase (NAD+, L-lysine-forming) activity / lysine catabolic process / L-lysine catabolic process to acetyl-CoA via saccharopine / lysine biosynthetic process via aminoadipic acid / Lysine catabolism / transcription corepressor activity / histone binding / mitochondrial matrix / intracellular membrane-bounded organelle / negative regulation of transcription by RNA polymerase II / mitochondrion / nucleus / cytoplasm / cytosol
Similarity search - Function
Saccharopine dehydrogenase, NADP binding domain / Saccharopine dehydrogenase-like, C-terminal / Saccharopine dehydrogenase NADP binding domain / Saccharopine dehydrogenase C-terminal domain / Alanine dehydrogenase/pyridine nucleotide transhydrogenase, N-terminal / Alanine dehydrogenase/PNT, N-terminal domain / Alanine dehydrogenase/PNT, C-terminal domain / Alanine dehydrogenase/PNT, N-terminal domain / Alanine dehydrogenase/pyridine nucleotide transhydrogenase, NAD(H)-binding domain / NAD(P)-binding domain superfamily
Similarity search - Domain/homology
Alpha-aminoadipic semialdehyde synthase, mitochondrial
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.65 Å
AuthorsKhamrui, S. / Lazarus, M.B.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)R35GM124838 United States
National Institutes of Health/Eunice Kennedy Shriver National Institute of Child Health & Human Development (NIH/NICHD)R21HD102745 United States
CitationJournal: Open Biology / Year: 2022
Title: Characterization and structure of the human lysine-2-oxoglutarate reductase domain, a novel therapeutic target for treatment of glutaric aciduria type 1.
Authors: Leandro, J. / Khamrui, S. / Suebsuwong, C. / Chen, P.J. / Secor, C. / Dodatko, T. / Yu, C. / Sanchez, R. / DeVita, R.J. / Houten, S.M. / Lazarus, M.B.
History
DepositionAug 25, 2022Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 5, 2022Provider: repository / Type: Initial release
Revision 1.1Oct 18, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Alpha-aminoadipic semialdehyde synthase, mitochondrial
B: Alpha-aminoadipic semialdehyde synthase, mitochondrial
C: Alpha-aminoadipic semialdehyde synthase, mitochondrial
D: Alpha-aminoadipic semialdehyde synthase, mitochondrial
hetero molecules


Theoretical massNumber of molelcules
Total (without water)201,0146
Polymers200,9654
Non-polymers492
Water72140
1
A: Alpha-aminoadipic semialdehyde synthase, mitochondrial
D: Alpha-aminoadipic semialdehyde synthase, mitochondrial
hetero molecules


Theoretical massNumber of molelcules
Total (without water)100,5073
Polymers100,4832
Non-polymers241
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3710 Å2
ΔGint-12 kcal/mol
Surface area34380 Å2
MethodPISA
2
B: Alpha-aminoadipic semialdehyde synthase, mitochondrial
C: Alpha-aminoadipic semialdehyde synthase, mitochondrial
hetero molecules


Theoretical massNumber of molelcules
Total (without water)100,5073
Polymers100,4832
Non-polymers241
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3740 Å2
ΔGint-12 kcal/mol
Surface area34530 Å2
MethodPISA
Unit cell
Length a, b, c (Å)73.005, 131.944, 96.494
Angle α, β, γ (deg.)90.000, 100.720, 90.000
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11chain A
21(chain B and (resid 24 through 360 or resid 362 through 466))
31(chain C and (resid 24 through 356 or resid 361 through 466))
41(chain D and (resid 24 through 356 or resid 361 through 466))

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ALAALAARGARGchain AAA24 - 4666 - 448
21ALAALAGLYGLY(chain B and (resid 24 through 360 or resid 362 through 466))BB24 - 3606 - 342
22SERSERARGARG(chain B and (resid 24 through 360 or resid 362 through 466))BB362 - 466344 - 448
31ALAALASERSER(chain C and (resid 24 through 356 or resid 361 through 466))CC24 - 3566 - 338
32GLYGLYARGARG(chain C and (resid 24 through 356 or resid 361 through 466))CC361 - 466343 - 448
41ALAALASERSER(chain D and (resid 24 through 356 or resid 361 through 466))DD24 - 3566 - 338
42GLYGLYARGARG(chain D and (resid 24 through 356 or resid 361 through 466))DD361 - 466343 - 448

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Components

#1: Protein
Alpha-aminoadipic semialdehyde synthase, mitochondrial / LKR/SDH


Mass: 50241.336 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: AASS / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: Q9UDR5, saccharopine dehydrogenase (NADP+, L-lysine-forming), saccharopine dehydrogenase (NAD+, L-glutamate-forming)
#2: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Mg / Feature type: SUBJECT OF INVESTIGATION
#3: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 40 / Source method: isolated from a natural source / Formula: H2O
Has ligand of interestY

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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: 2.27 Å3/Da / Density % sol: 45.87 %
Crystal growTemperature: 300 K / Method: vapor diffusion, hanging drop / pH: 8
Details: 0.1 M Magnesium Formate, 25 mM Calcium Acetate, 11% PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: NSLS-II / Beamline: 17-ID-1 / Wavelength: 0.9795 Å
DetectorType: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Aug 18, 2020
RadiationMonochromator: Si / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9795 Å / Relative weight: 1
ReflectionResolution: 2.65→48.56 Å / Num. obs: 50249 / % possible obs: 96.4 % / Redundancy: 5.6 % / CC1/2: 0.974 / Rmerge(I) obs: 0.407 / Rpim(I) all: 0.178 / Rrim(I) all: 0.446 / Net I/σ(I): 2.7 / Num. measured all: 280133 / Scaling rejects: 43
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
2.65-2.745.62.3852615046740.4311.0452.6140.897
10.6-48.565.70.14644847810.9860.0610.1596.792.8

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Processing

Software
NameVersionClassification
Aimless0.7.4data scaling
PHENIX1.14_3260refinement
PDB_EXTRACT3.27data extraction
autoPROCdata reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 8E8T

8e8t


Resolution: 2.65→47.405 Å / SU ML: 0.44 / Cross valid method: THROUGHOUT / σ(F): 1.97 / Phase error: 36.91 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.3194 2490 4.97 %
Rwork0.278 47579 -
obs0.2801 50069 95.97 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 120.61 Å2 / Biso mean: 46.1736 Å2 / Biso min: 1.79 Å2
Refinement stepCycle: final / Resolution: 2.65→47.405 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms13490 0 2 40 13532
Biso mean--29.08 20.57 -
Num. residues----1724
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A8346X-RAY DIFFRACTION10.14TORSIONAL
12B8346X-RAY DIFFRACTION10.14TORSIONAL
13C8346X-RAY DIFFRACTION10.14TORSIONAL
14D8346X-RAY DIFFRACTION10.14TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection Rwork% reflection obs (%)
2.6501-2.70110.35741290.3384271097
2.7011-2.75620.3841330.3415268098
2.7562-2.81610.37211400.3375271298
2.8161-2.88160.3451500.3391263098
2.8816-2.95370.4081380.3283269097
2.9537-3.03350.34481460.3226268698
3.0335-3.12280.34251530.3128265597
3.1228-3.22350.33611370.3079265297
3.2235-3.33870.35671380.3052269397
3.3387-3.47240.39371420.2892261996
3.4724-3.63030.35341320.2585263996
3.6303-3.82170.29991390.2582263596
3.8217-4.0610.31041240.254251791
4.061-4.37430.23811480.2293259295
4.3743-4.81410.26311410.2246262795
4.8141-5.50990.27211250.2529264595
5.5099-6.93840.31281490.2659261595
6.9384-47.40.28741260.2546258291
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)
12.5290.33210.09310.7583-0.00160.8008-0.07920.46380.6332-0.156-0.0565-0.1151-0.1058-0.0342-0.25610.23540.07140.14170.39830.04990.659950.143531.71295.7236
24.0591-1.15470.29343.7022.03161.9794-0.03710.33040.4966-0.1310.10250.2879-0.2325-0.20140.02570.35780.0941-0.02440.73950.15440.486337.088532.5522-0.9459
30.70340.0225-0.15240.59240.47390.4247-0.12890.35110.153-0.1973-0.0790.0671-0.1357-0.0654-0.00010.43670.0068-0.17140.6834-0.03810.240432.676824.7209-3.5103
42.5089-1.0661.80976.50521.20073.84450.18950.7155-0.1628-0.1084-0.0037-0.0847-0.03120.1258-0.10990.5997-0.12610.10050.80730.01930.631645.92212.1402-8.9391
50.2405-0.2678-0.07840.41140.07530.1140.17330.0571-0.0748-0.02070.07670.0414-0.0505-0.06870.45150.07170.15510.20120.0649-0.26360.643451.59834.763622.4955
60.473-0.4042-0.19030.53340.21330.3002-0.00710.0756-0.1172-0.0298-0.08150.10730.0194-0.0595-0.0990.37030.13360.11550.2696-0.15010.751553.3151-3.791914.6779
70.8874-0.7556-0.14745.3759-2.32411.7204-0.11490.272-0.6031-0.10250.01960.22160.55840.06210.08850.64160.12460.01180.5217-0.36081.110351.0897-17.435114.1215
81.6937-0.3229-0.68360.71230.49991.5029-0.09760.6302-0.41940.04770.06860.19510.2977-0.26380.08070.34730.02610.13570.5021-0.26520.454751.4931-11.523611.4698
91.46730.44210.59980.17780.20310.25690.20070.7884-0.5228-0.2549-0.05890.1340.50920.2128-0.11980.56950.1174-0.12811.0859-0.4450.980940.1655-13.6408-7.4765
101.1929-0.2274-0.21980.2584-0.06190.09450.00280.3886-0.4038-0.0897-0.07570.19620.1223-0.06950.00880.2346-0.05950.04020.4382-0.25510.777342.9949-10.489211.9935
112.1710.04080.55810.92910.14482.7194-0.08780.2127-0.45710.00880.07420.21040.2449-0.2631-0.01460.5587-0.03530.04250.47150.04231.018136.5318-8.602913.8174
122.0794-0.38960.89161.09850.85791.82860.22920.20750.0086-0.215-0.01040.2068-0.4186-0.7002-0.22040.45060.02690.06920.38340.03750.873935.98680.600510.7601
131.3825-0.2985-0.67630.6005-0.19772.1339-0.11180.1799-0.4858-0.0238-0.06560.41290.4567-0.28120.26630.3480.06280.05380.2927-0.03960.814237.3076.259518.1062
142.5580.17570.37492.03120.04850.5027-0.03790.2531-0.0006-0.0284-0.123-0.0281-0.1720.1309-0.03750.34230.181-0.01230.57270.13470.357353.993620.9717-1.9217
151.6757-0.6483-0.5190.49680.01180.93330.08950.87690.2827-0.4459-0.0861-0.0103-0.1237-0.1994-0.10110.67180.01770.0690.99930.16380.696442.184327.4247-14.276
161.0768-0.31660.46950.2263-0.17280.2134-0.0080.30140.0673-0.1620.06990.1553-0.0977-0.1285-0.01610.62240.1016-0.3180.81290.12450.422727.39318.8106-10.763
170.1733-0.2677-0.21420.7790.31390.28430.0212-0.12590.22780.188-0.03510.1004-0.2576-0.0629-0.09690.37940.15140.00580.3046-0.37310.39653.427630.879147.1763
181.621.43680.74173.4005-1.3362.20880.2178-0.01380.51690.0394-0.13140.2145-0.4152-0.17020.10330.32440.0169-0.0420.5877-0.06120.424510.988334.60252.1623
191.45570.31280.35481.5912-0.35130.52340.1212-0.12650.1840.12690.0314-0.2105-0.15440.2162-0.0090.2954-0.12910.10060.399-0.27560.614820.692227.546756.733
206.14432.81560.28719.0564-1.06774.4792-0.0041-0.8341-0.53930.5238-0.09330.27240.4197-0.29510.09420.5858-0.04010.01990.67850.06520.53319.036812.177463.1095
210.1329-0.1511-0.05670.2934-0.05660.152-0.098-0.0613-0.11580.0324-0.11190.03020.0627-0.0976-0.22570.00540.23530.00790.0171-0.3030.52783.27354.813131.4585
220.8949-0.40390.24060.8863-0.56640.362-0.0645-0.0736-0.1530.15520.06350.08320.0063-0.03640.07770.15840.12210.0978-0.0270.01050.11233.9208-3.283340.0325
231.2119-0.88280.83291.4109-0.67451.56180.1538-0.2066-0.2025-0.0730.10190.07420.29170.1333-0.19260.17960.04040.04390.1923-0.00910.39571.8234-11.370540.6803
241.03330.51260.79381.04111.06872.72120.0828-0.474-0.45430.1967-0.0389-0.29540.62960.20510.01990.29370.073-0.06580.21120.00920.554714.7892-12.943862.063
250.640.8111-0.22481.57140.49131.95210.004-0.0989-0.30810.086-0.1814-0.34830.31350.15880.16720.2964-0.00110.16240.18250.10230.576912.2566-10.410743.2348
261.0927-0.1566-0.61221.43920.79644.753-0.1911-0.3950.01090.08880.0444-0.27360.18660.26480.01290.26660.1389-0.04020.59780.19650.503820.6783-7.737245.1779
271.1343-0.00240.08372.49022.16792.1253-0.065-0.15590.12560.02040.1586-0.2264-0.17730.24330.0110.27120.0527-0.16170.27420.08070.1615.6445-5.231136.3041
282.39581.4667-0.80120.9554-0.45470.290.1447-0.0604-0.08450.1234-0.3188-0.87430.3760.7810.16070.3420.0849-0.09530.68540.20320.783120.90897.45339.9772
291.93490.3037-0.79541.39440.01881.60970.0183-0.1615-0.2342-0.0678-0.1933-0.36960.2230.34390.52670.10810.12610.16420.23210.2660.384723.48821.567333.6497
301.0503-0.5621-0.1850.7160.14070.6529-0.0923-0.0589-0.12760.14120.1272-0.05470.06240.22330.00530.02740.1021-0.04950.0780.06180.323114.47148.230936.8117
311.1689-0.1072-0.92330.6602-0.09411.99820.0207-0.58320.17230.2553-0.03060.0988-0.30480.1633-0.42020.29890.03140.20030.4979-0.19770.35446.029526.300163.8941
321.0573-0.8872-0.36990.970.68210.81750.0926-0.86490.00050.2997-0.2185-0.0498-0.29920.16360.01260.54660.0260.22710.53040.02210.467823.238321.66865.9546
331.07160.0213-0.13711.47580.14541.0514-0.21870.2515-0.506-0.3361-0.05280.11430.3153-0.13860.110.35710.02260.08740.4101-0.25390.64783.7094-6.7646.5949
343.13450.5792-0.06422.4386-0.84251.4913-0.08330.2089-0.0783-0.05660.1261-0.320.34410.215-0.02050.3120.07940.07820.5975-0.16060.570517.5433-3.6757-0.9618
350.8803-0.8802-0.04812.81450.43121.6132-0.16130.0155-0.1367-0.14410.2577-0.47490.14470.3383-0.06010.4460.02540.17740.6152-0.29120.479518.3575-1.1607-6.3516
366.1364-1.8839-2.19789.1899-0.95114.2020.01350.67920.1879-0.27230.02160.0787-0.0345-0.1467-0.03630.8232-0.12380.07870.5889-0.00820.68766.754215.3164-10.3486
371.22370.0031-0.07110.05010.04870.38550.03990.13530.3743-0.097-0.1457-0.0238-0.1251-0.0752-0.09540.2490.07190.1430.2257-0.0130.68232.667823.824619.2009
383.59130.3064-1.47343.3488-1.04676.7444-0.06930.02360.38240.44960.48250.0927-0.58140.3692-0.46370.7858-0.13850.18230.3188-0.04490.69910.512340.417222.5644
392.4576-0.2515-0.29870.7460.66722.43120.24860.78560.5393-0.06550.0491-0.148-0.36220.1083-0.26620.51610.0070.11130.47790.17980.7419.048236.6411-1.7245
401.6203-0.2452-0.36170.57220.01731.63640.09710.20610.13820.0498-0.1227-0.3542-0.01050.1653-0.00770.41630.04230.05620.31850.10611.059413.818734.02195.1135
411.41920.9208-0.40254.33580.19040.1689-0.03820.48130.1644-0.36970.2865-0.4896-0.35130.8326-0.27740.401-0.09130.28630.7610.06170.670119.694330.0917-2.2025
420.60680.1131-0.17860.48021.15863.14690.07460.02870.1208-0.10440.0194-0.2353-0.24380.4123-0.12640.2940.07730.22030.43870.32350.754122.888635.37812.6133
432.82051.16260.95863.94822.06875.69610.1681-0.30890.35750.11130.0431-0.0811-0.34780.2488-0.16010.4896-0.0440.10230.3104-0.10830.950114.064930.724520.9865
441.21270.08370.7480.57110.89731.72560.06120.36330.4306-0.143-0.2699-0.7484-0.08120.50830.18140.46730.2192-0.13480.60290.01270.881122.40124.39259.8553
452.72870.26441.23591.3331.1312.5226-0.1517-0.02560.4245-0.09650.1004-0.2422-0.16750.3264-0.03460.20380.09660.07460.20370.04620.432417.442718.202917.9792
462.71990.39080.70764.99081.05463.2203-0.23650.4596-0.3569-0.2596-0.03830.10230.3254-0.16010.12710.4384-0.0169-0.1250.4125-0.15250.30831.90710.5168-5.0193
471.81740.06020.19510.58060.11610.30910.08430.6997-0.1591-0.41860.2399-0.00760.13450.0229-0.05870.65570.0344-0.11160.8441-0.11890.418915.9909-0.7957-15.1713
481.95521.5075-0.54234.42621.27861.0326-0.0291-0.190.15820.25140.0847-0.47230.0560.3551-0.0570.47530.1741-0.16990.83710.02920.629731.64485.8401-8.7461
497.0365-1.43313.79591.1257-1.21894.3696-0.1447-0.2002-0.24440.01170.08280.1664-0.0243-0.25850.03930.21260.0457-0.04340.4142-0.01250.815843.9766-6.410248.8393
500.3129-0.4110.31761.1521-0.30990.3413-0.1137-0.0517-0.35480.22860.0951-0.10640.22650.0816-0.13680.24170.17770.08230.15360.11240.543352.4749-7.184647.2277
512.94270.7101-0.68256.0245-0.04174.21650.0422-0.4549-0.5830.15040.11140.01220.2666-0.0003-0.08410.43670.0518-0.01250.45330.15650.368343.5221-6.194153.9006
520.591-0.16370.26141.05460.37550.70920.0306-0.3119-0.36240.0870.14510.22090.187-0.1523-0.03940.41320.02730.0020.33260.17920.69535.1093-1.850657.3615
532.0314-1.656-2.25735.16830.17214.47260.0024-0.5925-0.01660.2358-0.0722-0.0639-0.19210.15560.05970.8896-0.0820.10960.6495-0.00060.312548.410914.425163.9804
540.2198-0.08920.04620.07850.01430.16070.05010.0065-0.06730.0373-0.04840.0017-0.034-0.0771-0.09340.27870.121-0.16240.0561-0.02720.287851.611519.492931.4042
550.4170.0853-0.11410.5683-0.28360.62780.1153-0.15570.14270.10510.0037-0.0598-0.18240.11040.17880.23940.0489-0.04360.0699-0.11510.189653.242229.721839.0447
564.7846-0.0133-0.23769.2835-0.64356.0180.0251-0.22250.63790.15060.0429-0.0639-0.67850.1228-0.04680.4091-0.07040.18160.5299-0.10370.674250.708942.814137.2707
572.7940.149-0.48250.9294-0.08621.68120.0141-0.6699-0.0046-0.01060.04240.052-0.06750.05070.09570.0547-0.0246-0.09680.1567-0.07880.465346.763836.783352.0768
580.0666-0.0275-0.09640.12280.0090.1847-0.0314-0.01760.01780.0624-0.017-0.0022-0.1268-0.05970.03140.2299-0.0765-0.07180.0879-0.09380.00641.259135.483347.5281
591.3787-0.0692-0.56390.8599-0.40951.23330.16130.01070.0385-0.2038-0.03750.2759-0.1153-0.3635-0.22080.3120.1653-0.16060.6359-0.18640.619834.349432.379745.1686
600.28490.0810.08460.5232-0.43471.35950.00950.03870.00380.0315-0.02080.0133-0.0074-0.04750.01190.45180.07610.05450.339-0.13720.041239.842229.828236.029
611.6117-1.88580.76022.3549-1.47522.673-0.05570.1425-0.4776-0.39050.01360.47020.4566-0.5007-0.02860.3294-0.05610.02490.7369-0.18820.54831.626122.394541.6284
623.9032-2.54690.34131.9746-0.69581.6539-0.1463-0.1297-0.35470.08070.07660.28880.0018-0.1223-0.06580.2510.1083-0.11390.2853-0.02640.75336.639515.567833.9281
631.75020.96150.75871.4676-1.40713.8706-0.01150.22220.2561-0.22140.13460.5325-0.0665-0.5609-0.0780.35770.1084-0.21620.7222-0.22080.904226.842529.295734.4088
641.6950.078-0.07760.48160.47760.5-0.0075-0.5342-0.18950.2879-0.1081-0.01340.1599-0.12720.13720.31760.02390.12120.34860.06410.626341.43545.460355.9945
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1(chain A and resid 24:93)A24 - 93
2X-RAY DIFFRACTION2(chain A and resid 94:108)A94 - 108
3X-RAY DIFFRACTION3(chain A and resid 109:136)A109 - 136
4X-RAY DIFFRACTION4(chain A and resid 137:146)A137 - 146
5X-RAY DIFFRACTION5(chain A and resid 147:211)A147 - 211
6X-RAY DIFFRACTION6(chain A and resid 212:243)A212 - 243
7X-RAY DIFFRACTION7(chain A and resid 244:253)A244 - 253
8X-RAY DIFFRACTION8(chain A and resid 254:272)A254 - 272
9X-RAY DIFFRACTION9(chain A and resid 273:294)A273 - 294
10X-RAY DIFFRACTION10(chain A and resid 295:309)A295 - 309
11X-RAY DIFFRACTION11(chain A and resid 310:350)A310 - 350
12X-RAY DIFFRACTION12(chain A and resid 351:369)A351 - 369
13X-RAY DIFFRACTION13(chain A and resid 370:412)A370 - 412
14X-RAY DIFFRACTION14(chain A and resid 413:423)A413 - 423
15X-RAY DIFFRACTION15(chain A and resid 424:457)A424 - 457
16X-RAY DIFFRACTION16(chain A and resid 458:466)A458 - 466
17X-RAY DIFFRACTION17(chain B and resid 24:79)B24 - 79
18X-RAY DIFFRACTION18(chain B and resid 80:94)B80 - 94
19X-RAY DIFFRACTION19(chain B and resid 95:136)B95 - 136
20X-RAY DIFFRACTION20(chain B and resid 137:146)B137 - 146
21X-RAY DIFFRACTION21(chain B and resid 147:211)B147 - 211
22X-RAY DIFFRACTION22(chain B and resid 212:234)B212 - 234
23X-RAY DIFFRACTION23(chain B and resid 235:272)B235 - 272
24X-RAY DIFFRACTION24(chain B and resid 273:293)B273 - 293
25X-RAY DIFFRACTION25(chain B and resid 294:310)B294 - 310
26X-RAY DIFFRACTION26(chain B and resid 311:340)B311 - 340
27X-RAY DIFFRACTION27(chain B and resid 341:365)B341 - 365
28X-RAY DIFFRACTION28(chain B and resid 366:372)B366 - 372
29X-RAY DIFFRACTION29(chain B and resid 373:384)B373 - 384
30X-RAY DIFFRACTION30(chain B and resid 385:412)B385 - 412
31X-RAY DIFFRACTION31(chain B and resid 413:444)B413 - 444
32X-RAY DIFFRACTION32(chain B and resid 445:466)B445 - 466
33X-RAY DIFFRACTION33(chain C and resid 24:82)C24 - 82
34X-RAY DIFFRACTION34(chain C and resid 83:120)C83 - 120
35X-RAY DIFFRACTION35(chain C and resid 121:141)C121 - 141
36X-RAY DIFFRACTION36(chain C and resid 142:146)C142 - 146
37X-RAY DIFFRACTION37(chain C and resid 147:249)C147 - 249
38X-RAY DIFFRACTION38(chain C and resid 250:258)C250 - 258
39X-RAY DIFFRACTION39(chain C and resid 259:287)C259 - 287
40X-RAY DIFFRACTION40(chain C and resid 288:312)C288 - 312
41X-RAY DIFFRACTION41(chain C and resid 313:318)C313 - 318
42X-RAY DIFFRACTION42(chain C and resid 319:329)C319 - 329
43X-RAY DIFFRACTION43(chain C and resid 330:358)C330 - 358
44X-RAY DIFFRACTION44(chain C and resid 361:369)C361 - 369
45X-RAY DIFFRACTION45(chain C and resid 370:412)C370 - 412
46X-RAY DIFFRACTION46(chain C and resid 413:429)C413 - 429
47X-RAY DIFFRACTION47(chain C and resid 430:461)C430 - 461
48X-RAY DIFFRACTION48(chain C and resid 462:466)C462 - 466
49X-RAY DIFFRACTION49(chain D and resid 24:34)D24 - 34
50X-RAY DIFFRACTION50(chain D and resid 35:84)D35 - 84
51X-RAY DIFFRACTION51(chain D and resid 85:94)D85 - 94
52X-RAY DIFFRACTION52(chain D and resid 95:140)D95 - 140
53X-RAY DIFFRACTION53(chain D and resid 141:147)D141 - 147
54X-RAY DIFFRACTION54(chain D and resid 148:209)D148 - 209
55X-RAY DIFFRACTION55(chain D and resid 210:246)D210 - 246
56X-RAY DIFFRACTION56(chain D and resid 247:253)D247 - 253
57X-RAY DIFFRACTION57(chain D and resid 254:288)D254 - 288
58X-RAY DIFFRACTION58(chain D and resid 289:310)D289 - 310
59X-RAY DIFFRACTION59(chain D and resid 311:340)D311 - 340
60X-RAY DIFFRACTION60(chain D and resid 341:364)D341 - 364
61X-RAY DIFFRACTION61(chain D and resid 365:369)D365 - 369
62X-RAY DIFFRACTION62(chain D and resid 370:378)D370 - 378
63X-RAY DIFFRACTION63(chain D and resid 379:384)D379 - 384
64X-RAY DIFFRACTION64(chain D and resid 385:466)D385 - 466

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