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- PDB-8a5w: Crystal structure of the human phosphoserine aminotransferase (PS... -

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Basic information

Entry
Database: PDB / ID: 8a5w
TitleCrystal structure of the human phosphoserine aminotransferase (PSAT) in complex with O-phosphoserine
Components(Phosphoserine ...) x 2
KeywordsTRANSFERASE / human / PSAT
Function / homology
Function and homology information


phosphoserine transaminase / O-phospho-L-serine:2-oxoglutarate aminotransferase activity / Serine metabolism / pyridoxine biosynthetic process / L-serine biosynthetic process / pyridoxal phosphate binding / extracellular exosome / identical protein binding / cytosol / cytoplasm
Similarity search - Function
Phosphoserine aminotransferase / Aminotransferase class-V, pyridoxal-phosphate binding site / Aminotransferases class-V pyridoxal-phosphate attachment site. / Aminotransferase class V domain / Aminotransferase class-V / Aspartate Aminotransferase, domain 1 / Aspartate Aminotransferase, domain 1 / Aspartate Aminotransferase; domain 2 / Type I PLP-dependent aspartate aminotransferase-like (Major domain) / Pyridoxal phosphate-dependent transferase, small domain ...Phosphoserine aminotransferase / Aminotransferase class-V, pyridoxal-phosphate binding site / Aminotransferases class-V pyridoxal-phosphate attachment site. / Aminotransferase class V domain / Aminotransferase class-V / Aspartate Aminotransferase, domain 1 / Aspartate Aminotransferase, domain 1 / Aspartate Aminotransferase; domain 2 / Type I PLP-dependent aspartate aminotransferase-like (Major domain) / Pyridoxal phosphate-dependent transferase, small domain / Pyridoxal phosphate-dependent transferase, major domain / Pyridoxal phosphate-dependent transferase / Alpha-Beta Complex / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
Chem-E1U / 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE / PHOSPHOSERINE / Phosphoserine aminotransferase
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.78 Å
AuthorsCostanzi, E. / Demitri, N. / Ullah, R. / Marchesan, F. / Peracchi, A. / Zangelmi, E. / Storici, P. / Campanini, B.
Funding support Italy, 1items
OrganizationGrant numberCountry
Ministero dell Universita e della Ricerca2017H4J3A Italy
CitationJournal: Protein Sci. / Year: 2023
Title: L-serine biosynthesis in the human central nervous system: Structure and function of phosphoserine aminotransferase.
Authors: Marchesani, F. / Zangelmi, E. / Murtas, G. / Costanzi, E. / Ullah, R. / Peracchi, A. / Bruno, S. / Pollegioni, L. / Mozzarelli, A. / Storici, P. / Campanini, B.
History
DepositionJun 16, 2022Deposition site: PDBE / Processing site: PDBE
Revision 1.0Mar 29, 2023Provider: repository / Type: Initial release
Revision 1.1Apr 12, 2023Group: Database references / Category: citation / Item: _citation.journal_volume / _citation.title
Revision 1.2Feb 7, 2024Group: Data collection / Category: chem_comp_atom / chem_comp_bond
Revision 2.0Sep 11, 2024Group: Advisory / Atomic model ...Advisory / Atomic model / Author supporting evidence / Data collection / Database references / Derived calculations / Non-polymer description / Other / Polymer sequence / Source and taxonomy / Structure summary
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / cell / chem_comp / chem_comp_atom / chem_comp_bond / entity / entity_name_com / entity_poly / entity_poly_seq / entity_src_gen / pdbx_entity_instance_feature / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_poly_seq_scheme / pdbx_struct_mod_residue / pdbx_struct_sheet_hbond / pdbx_unobs_or_zero_occ_residues / struct_asym / struct_conf / struct_conn / struct_mon_prot_cis / struct_ref / struct_ref_seq / struct_ref_seq_dif / struct_sheet_range
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.group_PDB / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.label_seq_id / _atom_site.type_symbol / _atom_site_anisotrop.U[1][1] / _atom_site_anisotrop.U[1][2] / _atom_site_anisotrop.U[1][3] / _atom_site_anisotrop.U[2][2] / _atom_site_anisotrop.U[2][3] / _atom_site_anisotrop.U[3][3] / _atom_site_anisotrop.id / _atom_site_anisotrop.pdbx_auth_asym_id / _atom_site_anisotrop.pdbx_auth_atom_id / _atom_site_anisotrop.pdbx_auth_comp_id / _atom_site_anisotrop.pdbx_auth_seq_id / _atom_site_anisotrop.pdbx_label_asym_id / _atom_site_anisotrop.pdbx_label_atom_id / _atom_site_anisotrop.pdbx_label_comp_id / _atom_site_anisotrop.pdbx_label_seq_id / _atom_site_anisotrop.type_symbol / _cell.Z_PDB / _chem_comp.formula / _chem_comp.formula_weight / _chem_comp.id / _chem_comp.mon_nstd_flag / _chem_comp.name / _chem_comp.type / _pdbx_nonpoly_scheme.entity_id / _pdbx_nonpoly_scheme.mon_id / _pdbx_nonpoly_scheme.pdb_mon_id / _pdbx_struct_sheet_hbond.range_1_label_seq_id / _pdbx_struct_sheet_hbond.range_2_label_seq_id / _struct_asym.entity_id / _struct_conf.beg_label_seq_id / _struct_conf.end_label_seq_id / _struct_mon_prot_cis.label_seq_id / _struct_mon_prot_cis.pdbx_label_seq_id_2 / _struct_ref_seq.db_align_beg / _struct_ref_seq.pdbx_auth_seq_align_beg / _struct_ref_seq.ref_id / _struct_ref_seq.seq_align_beg / _struct_ref_seq.seq_align_end / _struct_sheet_range.beg_label_seq_id / _struct_sheet_range.end_label_seq_id
Revision 2.1Sep 3, 2025Group: Advisory / Derived calculations / Structure summary
Category: pdbx_entry_details / pdbx_modification_feature ...pdbx_entry_details / pdbx_modification_feature / pdbx_validate_close_contact / struct_conn
Item: _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
D: Phosphoserine aminotransferase
E: Phosphoserine aminotransferase
C: Phosphoserine aminotransferase
B: Phosphoserine aminotransferase
F: Phosphoserine aminotransferase
A: Phosphoserine aminotransferase
G: Phosphoserine aminotransferase
H: Phosphoserine aminotransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)337,36117
Polymers335,3528
Non-polymers2,0099
Water2,054114
1


  • Idetical with deposited unit
  • defined by author&software
  • Evidence: gel filtration
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area4900 Å2
ΔGint-26 kcal/mol
Surface area26740 Å2
MethodPISA
2


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5650 Å2
ΔGint-53 kcal/mol
Surface area26550 Å2
MethodPISA
3


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5590 Å2
ΔGint-33 kcal/mol
Surface area26630 Å2
MethodPISA
4
D: Phosphoserine aminotransferase
C: Phosphoserine aminotransferase
B: Phosphoserine aminotransferase
F: Phosphoserine aminotransferase
A: Phosphoserine aminotransferase
G: Phosphoserine aminotransferase
H: Phosphoserine aminotransferase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)294,04215
Polymers292,2187
Non-polymers1,8248
Water1267
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5680 Å2
ΔGint-71 kcal/mol
Surface area26800 Å2
MethodPISA
Unit cell
Length a, b, c (Å)65.433, 205.742, 135.750
Angle α, β, γ (deg.)90.000, 97.875, 90.000
Int Tables number4
Space group name H-MP1211
Space group name HallP2yb
Symmetry operation#1: x,y,z
#2: -x,y+1/2,-z

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Components

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Phosphoserine ... , 2 types, 8 molecules DFAECBGH

#1: Protein Phosphoserine aminotransferase / Phosphohydroxythreonine aminotransferase / PSAT


Mass: 39894.910 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: PSAT1, PSA / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q9Y617, phosphoserine transaminase
#2: Protein
Phosphoserine aminotransferase / Phosphohydroxythreonine aminotransferase / PSAT


Mass: 43133.367 Da / Num. of mol.: 5
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: PSAT1, PSA / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q9Y617, phosphoserine transaminase

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Non-polymers , 5 types, 123 molecules

#3: Chemical ChemComp-E1U / (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-phosphonooxy-propanoic acid


Mass: 414.199 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C11H16N2O11P2 / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical
ChemComp-SEP / PHOSPHOSERINE / PHOSPHONOSERINE


Type: L-peptide linking / Mass: 185.072 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C3H8NO6P / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical ChemComp-PMP / 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE / PYRIDOXAMINE-5'-PHOSPHATE


Mass: 248.173 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C8H13N2O5P / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: SO4
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 114 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY
Has protein modificationY

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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: 3.01 Å3/Da / Density % sol: 59.1 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop
Details: 0.2 M Na2SO4, 0.1 M Bis Tris Propane, pH 7,5, 20 % PEG 3350

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ELETTRA / Beamline: 11.2C / Wavelength: 1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 7, 2020
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.78→134.47 Å / Num. obs: 60488 / % possible obs: 93.2 % / Redundancy: 6.8 % / Biso Wilson estimate: 50.02 Å2 / CC1/2: 0.993 / Net I/σ(I): 8.9
Reflection shellResolution: 2.78→3.11 Å / Num. unique obs: 3024 / CC1/2: 0.574

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Processing

Software
NameVersionClassification
PHENIX1.19.2_4158refinement
PHENIX1.19.2_4158refinement
autoPROCdata reduction
STARANISOdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Starting model: 3.0E+77 / Resolution: 2.78→51.44 Å / SU ML: 0.2394 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 23.1908
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2276 2953 4.88 %
Rwork0.1821 57509 -
obs0.1844 60462 67.61 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 46.91 Å2
Refinement stepCycle: LAST / Resolution: 2.78→51.44 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms22521 0 111 114 22746
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00523096
X-RAY DIFFRACTIONf_angle_d0.687931296
X-RAY DIFFRACTIONf_chiral_restr0.0583510
X-RAY DIFFRACTIONf_plane_restr0.00394010
X-RAY DIFFRACTIONf_dihedral_angle_d11.93868467
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.78-2.820.400920.307446X-RAY DIFFRACTION1.14
2.82-2.870.456570.299112X-RAY DIFFRACTION2.86
2.87-2.920.386150.3575230X-RAY DIFFRACTION5.82
2.92-2.980.3684190.3318504X-RAY DIFFRACTION12.18
2.98-3.040.4015420.3354762X-RAY DIFFRACTION19.22
3.04-3.110.3512580.29761125X-RAY DIFFRACTION27.67
3.11-3.180.3337730.28181640X-RAY DIFFRACTION40.69
3.18-3.260.37121160.27522159X-RAY DIFFRACTION53.03
3.26-3.350.32411460.25922860X-RAY DIFFRACTION71.78
3.35-3.440.30511760.2493580X-RAY DIFFRACTION87.09
3.44-3.560.3212170.23043927X-RAY DIFFRACTION98.67
3.56-3.680.26212040.20924065X-RAY DIFFRACTION100
3.68-3.830.2592070.19574051X-RAY DIFFRACTION99.95
3.83-40.20592040.17294043X-RAY DIFFRACTION100
4-4.220.20312180.16114023X-RAY DIFFRACTION100
4.22-4.480.17782060.1534061X-RAY DIFFRACTION99.93
4.48-4.830.19221940.14394066X-RAY DIFFRACTION100
4.83-5.310.19332370.14934041X-RAY DIFFRACTION99.98
5.31-6.080.20132130.16934049X-RAY DIFFRACTION99.91
6.08-7.650.22961970.17064080X-RAY DIFFRACTION99.95
7.65-51.440.15742020.14254085X-RAY DIFFRACTION98.8
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)
11.54633787125-0.2424244798570.7111568118411.75262670402-0.3277891282122.317344415790.1512796360620.0094142662785-0.3353246783640.0119932248066-0.1317517505910.1114941200520.2043886331060.1195659223290.04284084432270.2123838770450.06121588654940.0649793703010.0828456706995-0.03350460339570.2389906071481.82786766844-36.3405563464-45.018042592
20.802633743276-0.02071729790910.06291010719351.41215013277-0.4991373998050.904946287509-0.07941176828510.07295245161230.516649730826-0.0934628556447-0.0779554877019-0.110487879008-0.3093702762360.2299408377360.002148541312060.357049997703-0.03602988792-0.0111295669122-0.00591973001099-0.03954129599810.4371278618133.76957776274-13.7692596928-55.6720823877
36.14460996678-0.652144109684-0.4442329534381.79541950311-0.2766554989410.6120596306260.07722451677530.5308347995370.361665108006-0.359950534090.04917348228740.2842452638570.365882967597-0.0565440144321-0.1515619995010.444226677572-0.0655385028246-0.06301398430840.217246987136-0.008259563855440.228828290926-10.5350266909-28.8316891634-70.3405497125
41.13312377701-0.190251618626-0.1996640814362.24166298884-1.141052132572.917455006910.0165944600477-0.03355763878430.2940475417260.006183913267310.2474713504970.676608017623-0.311191677484-0.549936030521-0.2150818580530.2999170500760.0454350181123-0.06390584914310.178344979087-0.08224359676890.565898698898-20.702352985-24.5029477082-61.0353252984
58.19050873533-1.130146213980.9960597172282.930581300230.02386012117073.111633700250.2408467857820.121835432872-0.664336982422-0.620385712874-0.1498882808060.8882693552410.265100721869-0.572720066851-0.142845588720.295829148367-0.037494406506-0.08600384029120.253876408472-0.09124399514930.458903419631-23.9543485995-34.5619003102-65.8598902864
61.117266580810.149824979432-0.04937123426130.823262324606-0.8008566946591.625441178210.119892731852-0.00817979162438-0.0361234519908-0.0670665614371-0.01559779554420.1037631407430.193820247466-0.254014026676-0.03566908970340.2177506633330.01600177180150.08519981005060.144626042498-0.09533530691730.261140430563-15.2226875376-57.7497366349-70.9775887497
72.056124827920.416381374838-0.1542460889170.8539784033530.2286659130642.04904117384-0.1843463979450.5791317895040.068948238575-0.3995312574390.1732432939050.1586647039810.0548888200639-0.08482179642960.01454011556680.470277575806-0.07517044099360.06420812409980.33853868902-0.01504734492930.0894114157882-7.67075797657-53.2343291933-94.5722016069
82.019637537460.242772387244-0.1688099744181.309843933660.121504814121.53461721258-0.03553244886560.3000515505150.259120297983-0.1855831057880.05291944382210.1967901696250.00924509050654-0.004264009353950.005559340695910.277565829429-0.01630988361040.03602367591090.141601106073-0.106236873920.144740947504-9.9604201836-51.4282634349-77.5844509664
92.003794628490.009816513310540.5648984959552.369883660540.1712226676953.324311856640.07587099196080.2203260285110.109428630086-0.16061029294-0.085125031393-0.3388039471810.03290413033160.830081794546-0.0009229898714740.310792027925-0.01554527881430.09866875919160.353304899484-0.03471857703820.26108179584313.3522503307-46.2893354248-76.6630549443
101.26476050549-0.4707474599240.1909141110241.73667885416-0.1365212349261.13465553304-0.0235697337844-0.441656930580.190756630040.2286601266310.01133473057660.0708400041066-0.354338876396-0.05141880761750.1275227772550.300338645471-0.0635532270910.08300677589860.260250497781-0.1695782210860.230307921553-0.929848744794-20.0644955793-31.8745875439
110.056532498228-0.1430151085350.003934169676571.24906070465-0.4643230910740.234465234924-0.113729997603-0.4529886882930.598257053210.277308650077-0.119848324653-0.602311766922-0.6792818371240.14409413465-0.1194586567450.9421312836-0.202264984434-0.1728686219820.746205057305-0.3915593486360.86883886611513.0490260922-3.90868827924-16.3473879583
121.0431846195-0.332409727650.5731626601710.995396540168-0.3920846651471.629324277540.0289780516611-0.4559357388420.4977399328030.3152172384850.00801494528730.10860251711-0.346959956056-0.1307991905470.0609754532160.577050150202-0.07289812135560.05918330866980.332256299429-0.2617911201020.3480502481760.117430022956-13.3672647835-26.7760864098
131.8616480207-0.6388171778550.454211365041.92591728815-0.3135140461892.25853577008-0.0115332136139-0.4895787890750.1722711311760.274741966514-0.109645809889-0.450218231679-0.2389559508290.3356526801580.1055065087710.27910191976-0.134106064049-0.01658394171230.468398759582-0.03452551745680.25638674831616.3888361896-31.8085382525-19.5887745794
140.75094941041-0.23639904266-0.02000919820521.2118118714-0.4074012725730.7014302968170.0708436281754-0.129859386146-0.08107282084990.282964074298-0.0872324234974-0.149886258899-0.1586796463840.314787523664-0.009436037374770.257449318779-0.164579329409-0.00677221548760.7949380793590.0001053848595630.1942740666758.29796564923-54.52140728885.33033533778
150.4830190853980.333606696863-0.6007105406591.021297482170.1339516714292.961606046190.0135682570655-0.07572934587060.1607993398330.4326718656470.1087550009940.399058531574-0.51696237089-0.627189106414-0.2277574043930.49487412065-0.007803731749550.1611575672010.7382452517470.01924307863180.173603958672-9.96788413945-44.631259923214.5491114291
160.588458005628-0.2352359631930.317733713481.08832140291-0.3018283011560.3411078466760.0255864850992-0.271402196815-0.02509433937180.356420521881-0.0532727735213-0.141438171397-0.2297598224850.264984156863-0.001229583826630.358297303297-0.122130423809-0.01987441907230.743171274085-0.002726740587930.1490226897638.41213559663-52.08767515098.96524845318
172.596316249620.6127712963850.353986673532.667308586340.1521702379672.512533297880.139827694343-0.06910159328750.0288035194725-0.100679369757-0.03858604767620.5051387832440.0840075705986-0.450514568554-0.09503687231460.263388943932-0.06292435820510.03030097697290.6902209736120.04620507943460.214562060167-12.5571478773-47.133616092-11.7450991453
180.8674468932330.324056806997-0.0339846329710.9348623729030.07883490719610.952858017472-0.2348239978850.185735846345-0.265884947144-0.4124280742660.0407176167449-0.1572875494250.2921134847110.122168542215-0.01895343827410.5038335425730.004762558442050.1391551152870.169528532238-0.1910348291240.423231196679-5.94965315752-75.7295878463-75.4515513127
190.005043092461690.0285050173832-0.006851937029470.104967224958-0.02431948177940.00707587663999-0.1608291499220.31650967532-0.362526234472-0.3188161392350.0847661433828-0.04561657542340.52699496068-0.3427897131120.22831156410.90123577538-0.3082378748460.07059093629420.564860891604-0.3335178123830.435624994773-23.87983416-86.8241638627-90.5378053086
200.742537522599-0.00873775556932-0.1950526700240.65497743771-0.1991189906690.30110932655-0.2043881205040.346203160095-0.531045095036-0.491630044846-0.0123664728523-0.0773254763820.463930501271-0.0619690297651-0.07844638302150.713751682515-0.04403571761260.2332426173550.221866345142-0.3013054749170.413443644497-9.11007099587-83.3898294061-82.3218559726
211.49144138230.3506344230250.2730259436240.298998229231-0.2005056378610.4655697873690.07449222436540.190677880974-0.740613245515-0.266624124786-0.182203484423-0.09675701694860.278601994021-0.03342563428070.02062087180310.452571117949-0.02139463997370.09656675420060.10748576558-0.06446938121790.461024413086-21.727413855-93.6316393554-63.823770013
221.75142073837-0.2783164316860.1213547580322.02992324886-0.2413703946921.62139095312-0.006415114129660.292059138348-0.170884605309-0.3541623751610.1235906909910.23619994414-0.0358764244292-0.216876874125-0.05903539339660.443514774463-0.103795056398-0.006882198042550.173582466466-0.102345540860.346773376306-32.1503691009-84.5085087394-67.753478461
232.49247370632-2.25843874049-0.8135435653583.48457005237-0.7387333507064.49762435791-0.0481611063005-0.4393727709480.09948827267790.442820765986-0.1710607313350.381975238969-0.154059684751-0.4961718604790.2060962488050.367418614219-0.09448848516070.03321302156880.147613180173-0.1111685646690.312864691343-33.4532929833-87.2276441463-56.5270967391
241.56077863442-0.3042697835860.3118273300942.08735971485-0.5519650442111.35523426105-0.08735543021880.232067440841-0.175178559404-0.06538422095790.0137704205980.0432851957515-0.1351710121350.213610242724-0.004315440625690.205371682187-0.0626087717995-0.03908779813620.6982604676690.0289623237780.23502384948812.7184423466-67.9515609923-9.12098507595
250.791842659552-0.0523604875966-0.2342449562461.361483658250.3051439082950.978881085157-0.0320653336316-0.403630406706-0.3761672270850.427742102730.1286475595320.03461738456130.0541421116460.06251576454720.01941237562980.294383010847-0.0687919693444-0.03257463597460.9940650522040.2637781934410.1335625183977.34580606175-78.862046412814.790398967
260.468908993630.2250719958420.3469758454621.8270013599-0.0899477634461.078906561730.2077547684150.4716525651660.121301607854-0.134240662882-0.2421390574420.1964848259860.0657548093554-0.03165139684540.1076722889410.1132232717270.00602886114974-0.02639229526630.6224898783080.06969423269410.21043622539610.8209047769-76.4331503098-6.0700956868
271.31229854516-0.1704156699020.3189153210161.136987953250.03436107073520.9594433222660.106707753744-0.385756790881-0.04837946288230.271804672348-0.0913895058042-0.6886563675360.07199288775950.411276148971-0.1811669505720.225784566762-0.0759618188027-0.1969314567361.063355514120.143606158590.6453303011534.8959119798-80.0288497546.58419302684
280.462164499807-0.0332856735184-0.2955965913991.427370976810.2186169398281.05943103527-0.0468135466055-0.174523107281-0.423801367418-0.2393324849720.0296521222168-0.007053810019470.4211740293060.0567614192719-0.01837258319040.4213456509790.0625368873156-0.05512564531740.2185762148170.08292019260370.632018049178-20.0732304174-106.897490851-37.840295887
290.2024632976930.128847544677-0.1908806589390.4502017277480.02196830116630.233003148039-0.02888965370360.103921470233-0.338417564755-0.0160818024955-0.351011919848-0.5565737539720.4848805693940.39474607794-0.04900598680260.7686109747660.3463830511430.08318391398940.5203681685690.1510655513711.127225760142.04882434844-120.852388394-44.4086309587
301.126914864350.104601467096-0.1033995964450.898388535389-0.2270451715210.929570347932-0.0541845591056-0.164011794426-0.510949692196-0.3422325444320.0121358104999-0.1223345501190.5033414310790.1781180618440.06608463765730.6011159040620.141433447911-0.03315145283560.1389602777620.1209697383890.806458862935-15.0759880808-114.148951455-41.1784649486
310.4921756928020.0276579278116-0.6273660612210.2420258396960.09270739785562.25536848958-0.114331160535-0.0441743801541-0.201205730053-0.03745344342210.274558564164-0.02280109164040.188133744877-0.220021745092-0.1640792016440.3525708902250.0666826608515-0.03158233759040.1480706635910.03816550322550.494835032196-25.010257943-98.2193333416-43.5486876678
325.141079933810.05305695487681.792689673960.00149431295164-0.008986863235911.59521893426-0.09748832056120.205640004198-0.540629148867-0.4393262336940.0878134712988-0.3366632662510.7034152217290.425162233280.006494407880720.454979921390.1252101443240.06254953714030.2721799819830.01987803934260.692740673378-5.86209801611-95.8630255375-55.3513635958
331.547928500290.279125893054-0.7662097302550.8993990283910.3295496644082.08013962423-0.0878715777596-0.493747227582-0.2376269154140.1076163808980.0762040569391-0.6142052649160.2595918758990.776070789330.02046321580680.39712506050.117608254043-0.03694534402530.4071790828380.072954802160.7859302997963.23224603223-92.8013821007-43.7702496825
346.248998739061.708171241652.604520587644.250791224040.9019929503444.790533970880.139994169067-0.1906477455961.12475897705-0.0159749965789-0.212279243891-0.402809300165-0.2036179109420.7899657923240.02920835176030.236269725795-0.03505783015130.1109522336290.3606429507560.03332366033940.6621191503252.50692982343-83.1933349257-49.7878536695
350.835781161096-0.4386582556030.1857929841981.069711273210.03326652066050.945398760414-0.0737937317173-0.808179704538-0.5134864424120.1181976566350.0552118549185-0.2455221691260.3159338036860.2043841497190.05952340251660.2468615278980.0949380381259-0.174355171470.5280230332590.4855354875870.67887999396-21.5723656198-107.147592306-15.2504497497
362.504338856640.116625943677-0.4452985305571.334634561160.4814212613640.5253840894910.15122787484-0.352750498227-0.436499457718-0.0144080911293-0.2536345167780.2013907130930.279649642629-0.2022305491210.03389735903350.323618080759-0.00879199184977-0.1384191937640.583872824670.206932887690.583256767086-47.9619486894-102.983741597-13.6678699393
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11chain 'D' and (resid 6 through 46 )DA6 - 461 - 41
22chain 'D' and (resid 47 through 262 )DA47 - 26242 - 257
33chain 'D' and (resid 263 through 285 )DA263 - 285258 - 280
44chain 'D' and (resid 286 through 350 )DA286 - 350281 - 345
55chain 'D' and (resid 351 through 370 )DA351 - 370346 - 365
66chain 'E' and (resid 5 through 77 )EC5 - 771 - 73
77chain 'E' and (resid 78 through 225 )EC - E78 - 22574 - 221
88chain 'E' and (resid 226 through 285 )EE226 - 285222 - 281
99chain 'E' and (resid 286 through 370 )EE286 - 370282 - 366
1010chain 'C' and (resid 6 through 123 )CF6 - 1231 - 118
1111chain 'C' and (resid 124 through 148 )CF124 - 148119 - 143
1212chain 'C' and (resid 149 through 244 )CF149 - 244144 - 239
1313chain 'C' and (resid 245 through 370 )CF245 - 370240 - 365
1414chain 'B' and (resid 6 through 117 )BH6 - 1171 - 112
1515chain 'B' and (resid 118 through 176 )BH118 - 176113 - 171
1616chain 'B' and (resid 177 through 262 )BH177 - 262172 - 257
1717chain 'B' and (resid 263 through 370 )BH263 - 370258 - 365
1818chain 'F' and (resid 6 through 105 )FJ6 - 1051 - 100
1919chain 'F' and (resid 106 through 136 )FJ106 - 136101 - 131
2020chain 'F' and (resid 137 through 262 )FJ137 - 262132 - 257
2121chain 'F' and (resid 263 through 285 )FJ263 - 285258 - 280
2222chain 'F' and (resid 286 through 350 )FJ286 - 350281 - 345
2323chain 'F' and (resid 351 through 370 )FJ351 - 370346 - 365
2424chain 'A' and (resid 6 through 46 )AL6 - 461 - 41
2525chain 'A' and (resid 47 through 244 )AL47 - 24442 - 239
2626chain 'A' and (resid 245 through 262 )AL245 - 262240 - 257
2727chain 'A' and (resid 263 through 370 )AL263 - 370258 - 365
2828chain 'G' and (resid 6 through 118 )GO6 - 1181 - 113
2929chain 'G' and (resid 119 through 148 )GO119 - 148114 - 143
3030chain 'G' and (resid 149 through 244 )GO149 - 244144 - 239
3131chain 'G' and (resid 245 through 262 )GO245 - 262240 - 257
3232chain 'G' and (resid 263 through 283 )GO263 - 283258 - 278
3333chain 'G' and (resid 284 through 350 )GO284 - 350279 - 345
3434chain 'G' and (resid 351 through 370 )GO351 - 370346 - 365
3535chain 'H' and (resid 6 through 262 )HP6 - 2621 - 257
3636chain 'H' and (resid 263 through 370 )HP263 - 370258 - 365

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