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- PDB-5vty: Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza viru... -

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Basic information

Entry
Database: PDB / ID: 5vty
TitleCrystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin G225Q/L226A mutant in complex with 3'-SLN
Components(Hemagglutinin ...) x 2
KeywordsVIRAL PROTEIN / Influenza A virus / hemagglutinin / mutant / receptor binding
Function / homology
Function and homology information


viral budding from plasma membrane / clathrin-dependent endocytosis of virus by host cell / host cell surface receptor binding / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / virion membrane / membrane
Similarity search - Function
Hemagglutinin Ectodomain; Chain B - #10 / Hemagglutinin Ectodomain; Chain B / Hemagglutinin (Ha1 Chain); Chain: A; domain 1 / Haemagglutinin, alpha/beta domain, HA1 chain / Haemagglutinin, influenzavirus A / Haemagglutinin, HA1 chain, alpha/beta domain superfamily / Haemagglutinin / Haemagglutinin, influenzavirus A/B / Viral capsid/haemagglutinin protein / Alpha-Beta Complex / Alpha Beta
Similarity search - Domain/homology
3'-sialyl-N-acetyllactosamine / Hemagglutinin
Similarity search - Component
Biological speciesInfluenza A virus
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.36 Å
AuthorsWu, N.C. / Wilson, I.A.
Funding support United States, 2items
OrganizationGrant numberCountry
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)R56 AI117675 United States
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)R01 AI114730 United States
CitationJournal: Cell Host Microbe / Year: 2017
Title: Diversity of Functionally Permissive Sequences in the Receptor-Binding Site of Influenza Hemagglutinin.
Authors: Wu, N.C. / Xie, J. / Zheng, T. / Nycholat, C.M. / Grande, G. / Paulson, J.C. / Lerner, R.A. / Wilson, I.A.
History
DepositionMay 18, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 28, 2017Provider: repository / Type: Initial release
Revision 1.1Sep 20, 2017Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.2Dec 11, 2019Group: Author supporting evidence / Data collection / Category: chem_comp / pdbx_audit_support
Item: _chem_comp.type / _pdbx_audit_support.funding_organization
Revision 2.0Jul 29, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / entity / entity_name_com / 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_molecule_features / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / pdbx_validate_close_contact / 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 / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_validate_close_contact.auth_asym_id_2 / _pdbx_validate_close_contact.auth_seq_id_2 / _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.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 2.1Oct 4, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / 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_conn / 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_conn.pdbx_leaving_atom_flag / _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
Revision 2.2Nov 13, 2024Group: Structure summary / Category: pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Hemagglutinin HA1 chain
B: Hemagglutinin HA2 chain
C: Hemagglutinin HA1 chain
D: Hemagglutinin HA2 chain
E: Hemagglutinin HA1 chain
F: Hemagglutinin HA2 chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)172,89718
Polymers166,7316
Non-polymers6,16612
Water11,151619
1
A: Hemagglutinin HA1 chain
B: Hemagglutinin HA2 chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)57,4436
Polymers55,5772
Non-polymers1,8664
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7930 Å2
ΔGint-11 kcal/mol
Surface area23700 Å2
MethodPISA
2
C: Hemagglutinin HA1 chain
D: Hemagglutinin HA2 chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)57,5875
Polymers55,5772
Non-polymers2,0103
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8160 Å2
ΔGint-8 kcal/mol
Surface area24060 Å2
MethodPISA
3
E: Hemagglutinin HA1 chain
F: Hemagglutinin HA2 chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)57,8677
Polymers55,5772
Non-polymers2,2905
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area8460 Å2
ΔGint-5 kcal/mol
Surface area24880 Å2
MethodPISA
4


  • Idetical with deposited unit
  • defined by software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area40910 Å2
ΔGint-48 kcal/mol
Surface area56270 Å2
MethodPISA
Unit cell
Length a, b, c (Å)210.078, 130.830, 72.368
Angle α, β, γ (deg.)90.00, 98.95, 90.00
Int Tables number5
Space group name H-MC121
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21C
12A
22E
13B
23D
14B
24F
15C
25E
16D
26F

NCS domain segments:

Component-ID: _ / Refine code: _

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11GLYGLYPROPROAA10 - 3244 - 318
21GLYGLYPROPROCC10 - 3244 - 318
12GLYGLYPROPROAA10 - 3244 - 318
22GLYGLYPROPROEE10 - 3244 - 318
13GLYGLYPHEPHEBB1 - 1711 - 171
23GLYGLYPHEPHEDD1 - 1711 - 171
14GLYGLYPHEPHEBB1 - 1711 - 171
24GLYGLYPHEPHEFF1 - 1711 - 171
15PROPROPROPROCC9 - 3243 - 318
25PROPROPROPROEE9 - 3243 - 318
16GLYGLYPHEPHEDD1 - 1711 - 171
26GLYGLYPHEPHEFF1 - 1711 - 171

NCS ensembles :
ID
1
6
2
3
4
5

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Components

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Hemagglutinin ... , 2 types, 6 molecules ACEBDF

#1: Protein Hemagglutinin HA1 chain


Mass: 35535.945 Da / Num. of mol.: 3 / Mutation: G225Q/L226A
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus (strain A/Hong Kong/1/1968 H3N2)
Strain: A/Hong Kong/1/1968 H3N2 / Gene: HA / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: Q91MA7
#2: Protein Hemagglutinin HA2 chain


Mass: 20041.131 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Influenza A virus (strain A/Hong Kong/1/1968 H3N2)
Strain: A/Hong Kong/1/1968 H3N2 / Gene: HA / Production host: Trichoplusia ni (cabbage looper) / References: UniProt: Q91MA7

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Sugars , 6 types, 12 molecules

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


Type: oligosaccharide / Mass: 748.682 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3/a4-b1_b4-c1_c3-d1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#4: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE
#5: Polysaccharide N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose


Type: oligosaccharide / Mass: 471.411 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DNeup5Aca2-3DGalpb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/2,2,1/[a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2/a3-b2WURCSPDB2Glycan 1.1.0
[][b-D-Galp]{[(3+2)][a-D-Neup5Ac]{}}LINUCSPDB-CARE
#6: Polysaccharide alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2- ...alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 910.823 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3[DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,5,4/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3/a4-b1_b4-c1_c3-d1_c6-e1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{}}}}}LINUCSPDB-CARE
#7: Polysaccharide N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose / 3'-sialyl-N-acetyllactosamine


Type: oligosaccharide, Oligosaccharide / Class: Substrate analog / Mass: 674.604 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Details: oligosaccharide / References: 3'-sialyl-N-acetyllactosamine
DescriptorTypeProgram
DNeup5Aca2-3DGalpb1-4DGlcpNAcb1-ROHGlycam Condensed SequenceGMML 1.0
WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b3-c2WURCSPDB2Glycan 1.1.0
[][b-D-GlcpNAc]{[(4+1)][b-D-Galp]{[(3+2)][a-D-Neup5Ac]{}}}LINUCSPDB-CARE
#8: 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.: 3
Source method: isolated from a genetically manipulated source
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 , 1 types, 619 molecules

#9: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 619 / 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: 1

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Sample preparation

CrystalDensity Matthews: 2.95 Å3/Da / Density % sol: 58.25 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 6.5
Details: 0.1 M sodium cacodylate pH 6.5, 5% PEG 8000, and 38% 2-methyl-2,4-pentanediol

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.0331 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Oct 15, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0331 Å / Relative weight: 1
ReflectionResolution: 2.35→110.67 Å / Num. obs: 78249 / % possible obs: 98.4 % / Redundancy: 6.1 % / CC1/2: 1 / Rpim(I) all: 0.04 / Rsym value: 0.1 / Net I/σ(I): 15.4
Reflection shellResolution: 2.35→2.43 Å / Redundancy: 5.2 % / Mean I/σ(I) obs: 1.7 / Num. unique obs: 7002 / CC1/2: 0.8 / Rpim(I) all: 0.26 / Rsym value: 0.54 / % possible all: 97

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Processing

Software
NameVersionClassification
REFMAC5.8.0135refinement
HKL-2000712data reduction
HKL-2000712data scaling
PHASER2.5.6phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 4FNK

4fnk


Resolution: 2.36→110.67 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.943 / SU B: 12.862 / SU ML: 0.159 / Cross valid method: THROUGHOUT / ESU R: 0.313 / ESU R Free: 0.208 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.20957 4011 5.1 %RANDOM
Rwork0.17956 ---
obs0.18108 74237 97.96 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 53.067 Å2
Baniso -1Baniso -2Baniso -3
1-0.55 Å20 Å2-0.66 Å2
2---0.37 Å20 Å2
3---0.03 Å2
Refinement stepCycle: 1 / Resolution: 2.36→110.67 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11510 0 411 619 12540
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0090.01912208
X-RAY DIFFRACTIONr_bond_other_d0.0050.0211171
X-RAY DIFFRACTIONr_angle_refined_deg1.4051.97516601
X-RAY DIFFRACTIONr_angle_other_deg1.158325794
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.99751461
X-RAY DIFFRACTIONr_dihedral_angle_2_deg34.60524.775578
X-RAY DIFFRACTIONr_dihedral_angle_3_deg14.339151972
X-RAY DIFFRACTIONr_dihedral_angle_4_deg18.1871570
X-RAY DIFFRACTIONr_chiral_restr0.0770.21885
X-RAY DIFFRACTIONr_gen_planes_refined0.0060.0213725
X-RAY DIFFRACTIONr_gen_planes_other0.0040.022801
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it0.8162.9245862
X-RAY DIFFRACTIONr_mcbond_other0.8162.9245861
X-RAY DIFFRACTIONr_mcangle_it1.3774.3837317
X-RAY DIFFRACTIONr_mcangle_other1.3774.3847318
X-RAY DIFFRACTIONr_scbond_it1.3893.3166345
X-RAY DIFFRACTIONr_scbond_other1.3893.3166345
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_scangle_other2.3324.939285
X-RAY DIFFRACTIONr_long_range_B_refined5.03228.73550400
X-RAY DIFFRACTIONr_long_range_B_other4.98428.63549999
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-IDDom-IDAuth asym-IDNumberRms dev position (Å)
11A365680.07
12C365680.07
21A365500.07
22E365500.07
31B182500.06
32D182500.06
41B182360.06
42F182360.06
51C364360.08
52E364360.08
61D182420.05
62F182420.05
LS refinement shellResolution: 2.355→2.416 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.28 275 -
Rwork0.261 5145 -
obs--91.22 %
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)
13.23272.1872-0.70829.4051-0.11061.478-0.0190.26180.1273-0.35340.0605-0.5917-0.0340.3461-0.04150.2173-0.1107-0.04130.37340.10040.095628.863219.945768.5069
20.3306-0.45490.22772.202-1.57051.525-0.11540.0220.05960.0754-0.1333-0.42830.03620.2890.24870.07990.031-0.04360.3220.00750.135237.6579-22.6579104.072
31.3616-0.06150.26522.78010.30183.5358-0.0321-0.0382-0.03730.1207-0.20750.13550.2963-0.22340.23960.05470.03570.01010.2298-0.05350.034328.1712-38.9686116.5318
41.3218-0.2326-0.32511.706-1.10512.2512-0.03510.0050.23540.1346-0.2575-0.4671-0.26890.40650.29260.1106-0.0304-0.07150.30480.01950.172135.1255-9.094795.7953
52.14411.0723-0.025812.5366-6.18624.772-0.08850.26630.0519-0.792-0.0231-0.13790.27170.10650.11160.108-0.03410.01460.2794-0.00110.082928.37656.063575.5872
613.86312.0923-3.60932.9595-0.58793.3806-0.21410.85990.2977-0.5857-0.01820.1170.0077-0.13850.23230.3206-0.0774-0.02290.23060.12530.139324.585324.103266.038
72.00650.8929-1.48343.2504-3.32485.1041-0.15570.30260.3605-0.04630.0889-0.3536-0.24720.20320.06680.1666-0.1902-0.03440.26410.09120.210231.9527.610576.1985
81.1241-4.03282.557814.5849-9.20095.8644-0.276-0.1015-0.09691.23260.42040.4187-0.7298-0.1341-0.14440.611200.05660.61380.02590.505127.45354.246394.0956
90.5370.33790.04042.2151-0.71620.8019-0.08840.16530.1505-0.14980.0855-0.142-0.07870.1260.00290.113-0.0492-0.01330.28210.04070.093321.0986.019581.767
1015.11595.37475.00066.8861.79381.6583-0.31690.53460.2845-0.66310.1978-0.2763-0.10560.21210.11920.4655-0.14810.01840.39040.19860.512729.444445.74665.6694
115.4424-4.66781.20418.5285-1.80234.5313-0.14880.06490.75740.04810.0764-0.4411-0.11010.03710.07240.4957-0.2234-0.02240.19570.21460.548224.49249.285169.5535
120.64370.9068-0.49643.099-1.84151.77920.0518-0.10960.26030.30070.06630.228-0.2380.0259-0.11810.05870.0191-0.00160.1306-0.06880.11762.94824.5244105.4008
131.06830.1069-0.15571.2622-0.06990.9178-0.0356-0.0821-0.15080.0540.0205-0.00580.23760.06980.01510.15540.0414-0.01520.21950.00090.0256-1.5861-35.5706116.1832
142.2956-0.09870.9251.0732-0.07571.9945-0.0381-0.0377-0.1954-0.0428-0.0453-0.1770.26080.14810.08340.15810.02980.01890.21260.01420.06773.1096-39.3437111.3055
150.81420.9328-0.32332.6873-0.93430.8027-0.0017-0.09610.21950.12130.08720.1616-0.1774-0.0015-0.08550.1164-0.0001-0.01610.168-0.0330.07043.29391.0104103.9468
160.61420.016-0.41574.394-0.02862.05170.06050.0780.50420.23620.16660.5117-0.5009-0.1072-0.22710.27720.02250.0010.14750.10520.49653.930432.77887.0456
171.59316.7949-2.575228.9947-10.99154.1741-0.29170.08710.021-1.18460.37260.09840.4428-0.1768-0.08090.32910.0154-0.0460.43990.02330.4048-0.90742.136793.5651
180.53870.1055-0.02822.0834-0.89950.9051-0.05930.03940.29880.07450.14350.0999-0.22350.0208-0.08410.1608-0.0406-0.0290.19730.02340.174910.461514.145188.3956
194.11230.27572.02690.2296-0.72035.74840.25450.60370.56280.33780.21990.1836-0.7971-0.6475-0.47440.73460.1644-0.05550.28140.25930.8044-0.261349.098872.1557
202.00990.64450.9494.9785-4.3877.790.01980.28430.2287-0.33530.27740.56540.1831-0.3461-0.29730.07570.0485-0.08270.21550.09160.2353-1.956916.794367.7911
211.32910.3368-0.31671.5667-0.69030.9073-0.07190.0427-0.4512-0.0426-0.1226-0.21630.22170.23570.19440.2640.05480.01540.3356-0.05180.181813.391-44.830686.6277
220.9375-0.1960.31641.4306-0.08390.4337-0.0690.26950.1265-0.1917-0.00260.00850.0420.11510.07160.1378-0.0243-0.01770.34390.02010.02285.9978-15.173574.2076
2325.40371.05352.66080.5057-0.29090.639-0.190.57412.31160.2208-0.4211-0.3269-0.28180.38120.61120.8127-0.1285-0.09280.7010.21910.821-13.628721.388965.5412
242.84510.25220.81980.7364-0.25956.7447-0.03910.29860.3579-0.21410.21660.2224-0.4923-0.4157-0.17740.2317-0.0211-0.13270.2650.24740.30940.350224.015159.9205
255.3839-6.66234.224712.0094-7.46665.65940.06550.43870.2781-0.93890.01620.13650.25050.0405-0.08170.3001-0.1244-0.11330.34550.13170.10119.406412.873460.3857
266.4794-3.25290.325235.9338-13.27415.0292-0.06890.2265-0.214-0.1542-0.5812-1.59530.08080.21530.65010.5040.07350.03190.6449-0.02230.440414.675-7.27271.5194
270.52630.1846-0.05231.1871-0.40060.7886-0.08490.22980.2629-0.27410.15570.2449-0.0629-0.035-0.07080.21-0.0603-0.10210.33390.10670.15957.90269.20773.168
288.48222.7698-1.40065.1572-0.90474.0864-0.07180.44640.3939-0.69660.3235-0.0516-0.59840.142-0.25170.5534-0.1254-0.08390.38960.33490.390712.011442.435751.8323
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A10 - 30
2X-RAY DIFFRACTION2A31 - 151
3X-RAY DIFFRACTION3A152 - 258
4X-RAY DIFFRACTION4A259 - 306
5X-RAY DIFFRACTION5A307 - 325
6X-RAY DIFFRACTION6B1 - 15
7X-RAY DIFFRACTION7B16 - 55
8X-RAY DIFFRACTION8B56 - 60
9X-RAY DIFFRACTION9B61 - 137
10X-RAY DIFFRACTION10B138 - 149
11X-RAY DIFFRACTION11B150 - 171
12X-RAY DIFFRACTION12C9 - 82
13X-RAY DIFFRACTION13C83 - 198
14X-RAY DIFFRACTION14C199 - 258
15X-RAY DIFFRACTION15C259 - 325
16X-RAY DIFFRACTION16D1 - 54
17X-RAY DIFFRACTION17D55 - 61
18X-RAY DIFFRACTION18D62 - 145
19X-RAY DIFFRACTION19D146 - 171
20X-RAY DIFFRACTION20E9 - 37
21X-RAY DIFFRACTION21E38 - 258
22X-RAY DIFFRACTION22E259 - 322
23X-RAY DIFFRACTION23E323 - 329
24X-RAY DIFFRACTION24F1 - 30
25X-RAY DIFFRACTION25F31 - 55
26X-RAY DIFFRACTION26F56 - 60
27X-RAY DIFFRACTION27F61 - 153
28X-RAY DIFFRACTION28F154 - 171

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