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- PDB-2ajf: Structure of SARS coronavirus spike receptor-binding domain compl... -

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Basic information

Entry
Database: PDB / ID: 2ajf
TitleStructure of SARS coronavirus spike receptor-binding domain complexed with its receptor
Components
  • Angiotensin-converting enzyme-Related Carboxypeptidase (Ace2)
  • SARS-coronavirus spike protein
Keywordshydrolase/viral protein / antiparallel beta sheet / extended loop / hydrolase-viral protein COMPLEX
Function / homology
Function and homology information


Maturation of spike protein / Translation of Structural Proteins / Virion Assembly and Release / positive regulation of amino acid transport / angiotensin-converting enzyme 2 / positive regulation of L-proline import across plasma membrane / Hydrolases; Acting on peptide bonds (peptidases); Metallocarboxypeptidases / angiotensin-mediated drinking behavior / positive regulation of gap junction assembly / regulation of systemic arterial blood pressure by renin-angiotensin ...Maturation of spike protein / Translation of Structural Proteins / Virion Assembly and Release / positive regulation of amino acid transport / angiotensin-converting enzyme 2 / positive regulation of L-proline import across plasma membrane / Hydrolases; Acting on peptide bonds (peptidases); Metallocarboxypeptidases / angiotensin-mediated drinking behavior / positive regulation of gap junction assembly / regulation of systemic arterial blood pressure by renin-angiotensin / tryptophan transport / regulation of cardiac conduction / maternal process involved in female pregnancy / peptidyl-dipeptidase activity / regulation of vasoconstriction / transporter activator activity / Metabolism of Angiotensinogen to Angiotensins / carboxypeptidase activity / angiotensin maturation / Attachment and Entry / receptor-mediated endocytosis of virus by host cell / metallocarboxypeptidase activity / viral life cycle / positive regulation of cardiac muscle contraction / regulation of cytokine production / blood vessel diameter maintenance / negative regulation of smooth muscle cell proliferation / brush border membrane / negative regulation of ERK1 and ERK2 cascade / positive regulation of reactive oxygen species metabolic process / metallopeptidase activity / SARS-CoV-1 activates/modulates innate immune responses / endocytic vesicle membrane / regulation of cell population proliferation / virus receptor activity / regulation of inflammatory response / endopeptidase activity / viral translation / symbiont-mediated-mediated suppression of host tetherin activity / Potential therapeutics for SARS / Induction of Cell-Cell Fusion / entry receptor-mediated virion attachment to host cell / membrane fusion / Attachment and Entry / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / positive regulation of viral entry into host cell / receptor-mediated virion attachment to host cell / host cell surface receptor binding / cilium / symbiont-mediated suppression of host innate immune response / apical plasma membrane / membrane raft / endocytosis involved in viral entry into host cell / endoplasmic reticulum lumen / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / symbiont entry into host cell / host cell plasma membrane / virion membrane / cell surface / negative regulation of transcription by RNA polymerase II / extracellular space / extracellular exosome / extracellular region / zinc ion binding / identical protein binding / membrane / plasma membrane
Similarity search - Function
Spike protein, C-terminal core receptor binding subdomain / Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV / Collectrin domain / Renal amino acid transporter / Collectrin-like domain profile. / Peptidase M2, peptidyl-dipeptidase A / Angiotensin-converting enzyme / Peptidase family M2 domain profile. / Neutral zinc metallopeptidases, zinc-binding region signature. / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like ...Spike protein, C-terminal core receptor binding subdomain / Spike (S) protein S1 subunit, receptor-binding domain, SARS-CoV / Collectrin domain / Renal amino acid transporter / Collectrin-like domain profile. / Peptidase M2, peptidyl-dipeptidase A / Angiotensin-converting enzyme / Peptidase family M2 domain profile. / Neutral zinc metallopeptidases, zinc-binding region signature. / Spike (S) protein S1 subunit, N-terminal domain, SARS-CoV-like / Spike glycoprotein, N-terminal domain superfamily / Spike S1 subunit, receptor binding domain superfamily, betacoronavirus / Spike glycoprotein, betacoronavirus / Betacoronavirus spike (S) glycoprotein S1 subunit N-terminal (NTD) domain profile. / Betacoronavirus spike (S) glycoprotein S1 subunit C-terminal (CTD) domain profile. / Spike (S) protein S1 subunit, receptor-binding domain, betacoronavirus / Betacoronavirus spike glycoprotein S1, receptor binding / Spike glycoprotein S1, N-terminal domain, betacoronavirus-like / Betacoronavirus-like spike glycoprotein S1, N-terminal / Spike glycoprotein S2 superfamily, coronavirus / Spike glycoprotein S2, coronavirus, heptad repeat 1 / Spike glycoprotein S2, coronavirus, heptad repeat 2 / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 1 (HR1) region profile. / Coronavirus spike (S) glycoprotein S2 subunit heptad repeat 2 (HR2) region profile. / Spike glycoprotein S2, coronavirus / Coronavirus spike glycoprotein S2 / Alpha-Beta Plaits / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Spike glycoprotein / Angiotensin-converting enzyme 2
Similarity search - Component
Biological speciesHomo sapiens (human)
SARS coronavirus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.9 Å
AuthorsLi, F. / Li, W. / Farzan, M. / Harrison, S.C.
CitationJournal: Science / Year: 2005
Title: Structure of SARS coronavirus spike receptor-binding domain complexed with receptor.
Authors: Li, F. / Li, W. / Farzan, M. / Harrison, S.C.
History
DepositionAug 1, 2005Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 20, 2005Provider: repository / Type: Initial release
Revision 1.1Apr 30, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Advisory / Version format compliance
Revision 2.0Jul 29, 2020Group: Atomic model / Data collection ...Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / pdbx_struct_conn_angle / struct_asym / struct_conn / struct_site / struct_site_gen
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.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.type_symbol / _chem_comp.name / _chem_comp.type / _entity.formula_weight / _entity.pdbx_description / _entity.pdbx_number_of_molecules / _entity.src_method / _entity.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Aug 23, 2023Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI ..._chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.end_auth_comp_id
Revision 3.0Dec 25, 2024Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / pdbx_entry_details ...atom_site / pdbx_entry_details / pdbx_modification_feature / pdbx_nonpoly_scheme / pdbx_struct_conn_angle / pdbx_validate_close_contact / struct_conn
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_seq_id / _pdbx_nonpoly_scheme.auth_seq_num / _pdbx_nonpoly_scheme.pdb_seq_num / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Angiotensin-converting enzyme-Related Carboxypeptidase (Ace2)
B: Angiotensin-converting enzyme-Related Carboxypeptidase (Ace2)
E: SARS-coronavirus spike protein
F: SARS-coronavirus spike protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)182,05616
Polymers179,3534
Non-polymers2,70212
Water1,17165
1
A: Angiotensin-converting enzyme-Related Carboxypeptidase (Ace2)
E: SARS-coronavirus spike protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)91,2499
Polymers89,6772
Non-polymers1,5727
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3650 Å2
ΔGint-32 kcal/mol
Surface area35090 Å2
MethodPISA
2
B: Angiotensin-converting enzyme-Related Carboxypeptidase (Ace2)
F: SARS-coronavirus spike protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)90,8077
Polymers89,6772
Non-polymers1,1305
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3090 Å2
ΔGint-33 kcal/mol
Surface area34180 Å2
MethodPISA
Unit cell
Length a, b, c (Å)82.299, 119.429, 113.237
Angle α, β, γ (deg.)90.00, 91.97, 90.00
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
31A
41B
51A
61B
12A
22B
32A
42B
52A
62B
13E
23F

NCS domain segments:

Refine code: 4

Dom-IDComponent-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
111SERSERGLNGLNAA19 - 1021 - 84
211SERSERGLNGLNBB19 - 1021 - 84
321ASNASNASNASNAA290 - 397272 - 379
421ASNASNASNASNBB290 - 397272 - 379
531HISHISGLUGLUAA417 - 430399 - 412
631HISHISGLUGLUBB417 - 430399 - 412
112ASNASNPROPROAA103 - 28985 - 271
212ASNASNPROPROBB103 - 28985 - 271
322GLUGLULYSLYSAA398 - 416380 - 398
422GLUGLULYSLYSBB398 - 416380 - 398
532ASPASPASPASPAA431 - 615413 - 597
632ASPASPASPASPBB431 - 615413 - 597
113CYSCYSGLUGLUEC323 - 5021 - 180
213CYSCYSGLUGLUFD323 - 5021 - 180

NCS ensembles :
ID
1
2
3

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Components

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Protein , 2 types, 4 molecules ABEF

#1: Protein Angiotensin-converting enzyme-Related Carboxypeptidase (Ace2) / ACE-related carboxypeptidase / Angiotensin-converting enzyme homolog / ACEH


Mass: 69153.664 Da / Num. of mol.: 2 / Fragment: residues 19-615
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ACE2 / Plasmid: pFastBac 1 / Cell line (production host): SF9 / Production host: Spodoptera frugiperda (fall armyworm)
References: UniProt: Q9BYF1, Hydrolases; Acting on peptide bonds (peptidases); Metallocarboxypeptidases
#2: Protein SARS-coronavirus spike protein / Spike glycoprotein / Peplomer protein / E2


Mass: 20523.072 Da / Num. of mol.: 2 / Fragment: receptor-binding domain, residues 323-502
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) SARS coronavirus / Genus: Coronavirus / Strain: SARS / Gene: S / Plasmid: pFastBac 1 / Cell line (production host): SF9 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: P59594

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Sugars , 2 types, 8 molecules

#3: Polysaccharide beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 586.542 Da / Num. of mol.: 2 / Source method: obtained synthetically
DescriptorTypeProgram
DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-1-2/a4-b1_b4-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{}}}}LINUCSPDB-CARE
#4: Sugar
ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0

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Non-polymers , 3 types, 69 molecules

#5: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn
#6: Chemical ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Cl
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 65 / Source method: isolated from a natural source / Formula: H2O

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Details

Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 10

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Sample preparation

CrystalDensity Matthews: 2.7 Å3/Da / Density % sol: 54 %
Crystal growpH: 7.5
Details: 100 mM Tris pH 8.2, 24% PEG6000, 150 mM NaCl, 10% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, pH 7.5, pH 7.50

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.2.1 / Wavelength: 1
DetectorDate: Mar 5, 2005
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 2.8→47.4 Å / Num. obs: 41841 / % possible obs: 93.1 % / Redundancy: 6.9 % / Rsym value: 0.085 / Net I/σ(I): 20.5
Reflection shellResolution: 2.8→2.9 Å / Mean I/σ(I) obs: 1.83 / Rsym value: 0.682 / % possible all: 93.1

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Processing

Software
NameVersionClassification
REFMAC5.2.0005refinement
HKL-2000data reduction
SCALEPACKdata scaling
AMoREphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1R42

1r42


Resolution: 2.9→47.4 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.897 / SU B: 47.766 / SU ML: 0.423 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R Free: 0.46 / Stereochemistry target values: MAXIMUM LIKELIHOOD
RfactorNum. reflection% reflectionSelection details
Rfree0.275 2165 4.9 %RANDOM
Rwork0.218 ---
obs0.221 41841 92.4 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK
Displacement parametersBiso mean: 90.77 Å2
Baniso -1Baniso -2Baniso -3
1-0.45 Å20 Å27.05 Å2
2--0.04 Å20 Å2
3----0.01 Å2
Refinement stepCycle: LAST / Resolution: 2.9→47.4 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms12546 0 166 65 12777
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0090.02213096
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.2531.95117826
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.6951536
X-RAY DIFFRACTIONr_dihedral_angle_2_deg40.49724.665656
X-RAY DIFFRACTIONr_dihedral_angle_3_deg20.62152098
X-RAY DIFFRACTIONr_dihedral_angle_4_deg17.3191552
X-RAY DIFFRACTIONr_chiral_restr0.0890.21880
X-RAY DIFFRACTIONr_gen_planes_refined0.0040.0210110
X-RAY DIFFRACTIONr_gen_planes_other
X-RAY DIFFRACTIONr_nbd_refined0.2340.26493
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined0.3170.28902
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined0.170.2446
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined0.1670.21
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined0.220.236
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined0.240.23
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it0.6781.57859
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it1.234212432
X-RAY DIFFRACTIONr_scbond_it0.85536085
X-RAY DIFFRACTIONr_scangle_it1.4334.55394
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Dom-ID: 1 / Refine-ID: X-RAY DIFFRACTION

Ens-IDAuth asym-IDNumberTypeRms dev position (Å)Weight position
1A1655medium positional0.470.5
2A3215medium positional0.530.5
3E1403medium positional0.280.5
1A1655medium thermal0.332
2A3215medium thermal0.342
3E1403medium thermal0.262
LS refinement shellResolution: 2.9→3.06 Å / Total num. of bins used: 10
RfactorNum. reflection% reflection
Rfree0.393 172 -
Rwork0.328 4332 -
obs--73.18 %
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)
17.85957.35031.658513.18484.95568.4317-0.672-0.13540.10010.2041-0.3015-0.53280.4261-0.1680.9735-0.3209-0.0381-0.1281-0.29490.1303-0.284614.9551-16.977361.0062
22.00282.39090.18333.02490.7293.51590.3769-0.00590.49820.4174-0.23990.0459-0.3892-0.2031-0.137-0.0278-0.0406-0.0951-0.0940.04670.114718.53359.058660.5338
36.6887-10.8392.930317.635-6.526446.15-0.85281.95330.95551.03740.52263.5993-4.02320.1130.33020.2072-0.00090.1467-0.37160.3970.914120.558828.704148.5666
43.66841.7785-1.68882.0142-1.38361.6185-0.3148-0.0833-0.2858-0.4068-0.1304-0.42960.15730.3390.4451-0.25630.12020.1425-0.21320.091-0.175740.7461-3.442845.2638
51.8921-0.7839-1.54912.9831-4.85423.6544-0.30250.45960.56811.17620.4544-0.6955-0.4141-0.1788-0.1519-0.1453-0.0551-0.20870.07960.19480.088520.58868.654747.0301
64.23351.5141-1.8630.7535-0.9771.6747-0.30150.51590.2608-0.38510.2738-0.03760.1727-0.40620.0277-0.10680.03960.0241-0.10690.112-0.182831.35572.419338.4877
70.26180.5731-0.99948.54365.190411.2839-0.32720.60060.0915-0.96010.4786-0.64450.3788-0.6245-0.15130.1198-0.1650.02450.56390.17-0.29473.195237.3476-16.4374
81.5674-0.5897-3.22912.73370.69768.8689-0.09560.31110.0025-0.26890.173-0.2546-0.1732-0.3455-0.0773-0.2537-0.0148-0.03650.01350.0338-0.13583.426639.316410.0385
94.4015-2.631611.836820.3401-1.609633.42540.3212-0.3782-0.70590.87640.7591-0.81450.0502-0.6101-1.0803-0.3730.19060.0254-0.20490.065-0.19454.998929.118830.6647
102.30041.198-1.36691.5186-2.4424.15770.08850.63110.17830.38990.89520.763-0.7251-0.6143-0.98370.1724-0.01770.27950.02750.20680.0666-19.714228.44664.7494
113.5997-0.8296-4.13110.19120.9524.741-0.1951-0.00330.0104-0.24080.59770.0428-1.27650.0301-0.40260.0267-0.1335-0.02010.0328-0.0485-0.12271.329126.204811.3192
122.99381.5111-1.60352.1251-1.86821.68180.01480.5737-0.061-0.15660.46250.19870.0035-0.2545-0.47730.043-0.15250.09030.0463-0.0561-0.0964-11.119620.07378.8064
134.4922-0.1609-1.48553.9751-1.42471.11610.3939-0.14050.42690.5361-0.07170.3731-0.4771-0.2664-0.3222-0.0458-0.02130.0614-0.14890.0825-0.3214-8.2446-10.178573.4052
145.90980.079-0.01881.0161-1.40474.961-0.04630.75710.4838-0.1993-0.2471-0.45250.14930.14890.2933-0.07660.07110.2858-0.05130.38330.162527.89749.3066-13.8301
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
1X-RAY DIFFRACTION1AA19 - 1021 - 84
2X-RAY DIFFRACTION1AF10531
3X-RAY DIFFRACTION1AE1090 - 10921 - 3
4X-RAY DIFFRACTION2AA290 - 397272 - 379
5X-RAY DIFFRACTION2AG13221
6X-RAY DIFFRACTION3AA417 - 430399 - 412
7X-RAY DIFFRACTION4AA103 - 28985 - 271
8X-RAY DIFFRACTION5AA398 - 416380 - 398
9X-RAY DIFFRACTION6AA431 - 615413 - 597
10X-RAY DIFFRACTION6AI15461
11X-RAY DIFFRACTION7BB19 - 1021 - 84
12X-RAY DIFFRACTION7BJ1090 - 10921 - 3
13X-RAY DIFFRACTION8BB290 - 397272 - 379
14X-RAY DIFFRACTION8BK13221
15X-RAY DIFFRACTION9BB417 - 430399 - 412
16X-RAY DIFFRACTION10BB103 - 28985 - 271
17X-RAY DIFFRACTION11BB398 - 416380 - 398
18X-RAY DIFFRACTION12BB431 - 615413 - 597
19X-RAY DIFFRACTION13EC323 - 5021 - 180
20X-RAY DIFFRACTION13EH13301
21X-RAY DIFFRACTION14FD323 - 5021 - 180
22X-RAY DIFFRACTION14FL13301

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