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- PDB-5um8: Crystal structure of HIV-1 envelope trimer 16055 NFL TD CC (T569G... -

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Basic information

Entry
Database: PDB / ID: 5um8
TitleCrystal structure of HIV-1 envelope trimer 16055 NFL TD CC (T569G) in complex with Fabs 35022 and PGT124
Components
  • (glycoprotein ...) x 2
  • Fab 35022 heavy chain
  • Fab 35022 light chain
  • Fab PGT124 heavy chain
  • Fab PGT124 light chain
KeywordsViral Protein/Immune System / HIV-1 antibody glycoprotein / Viral Protein-Immune System complex
Function / homology
Function and homology information


positive regulation of plasma membrane raft polarization / positive regulation of receptor clustering / positive regulation of establishment of T cell polarity / virus-mediated perturbation of host defense response / host cell endosome membrane / clathrin-dependent endocytosis of virus by host cell / viral protein processing / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope ...positive regulation of plasma membrane raft polarization / positive regulation of receptor clustering / positive regulation of establishment of T cell polarity / virus-mediated perturbation of host defense response / host cell endosome membrane / clathrin-dependent endocytosis of virus by host cell / viral protein processing / 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 / structural molecule activity / plasma membrane
Similarity search - Function
Envelope glycoprotein Gp160 / Retroviral envelope protein / Retroviral envelope protein GP41-like / Gp120 core superfamily / Envelope glycoprotein GP120 / Human immunodeficiency virus 1, envelope glycoprotein Gp120 / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
Envelope glycoprotein gp160
Similarity search - Component
Biological speciesHuman immunodeficiency virus 1
Homo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.935 Å
AuthorsGarces, F. / Stanfield, R.L. / Wilson, I.A.
Funding support United States, 2items
OrganizationGrant numberCountry
International AIDS Vaccine InitativeOPP1084519 United States
International AIDS Vaccine InitativeOPP1115782 United States
CitationJournal: Immunity / Year: 2017
Title: Glycine Substitution at Helix-to-Coil Transitions Facilitates the Structural Determination of a Stabilized Subtype C HIV Envelope Glycoprotein.
Authors: Guenaga, J. / Garces, F. / de Val, N. / Stanfield, R.L. / Dubrovskaya, V. / Higgins, B. / Carrette, B. / Ward, A.B. / Wilson, I.A. / Wyatt, R.T.
History
DepositionJan 26, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 24, 2017Provider: repository / Type: Initial release
Revision 1.1Jun 21, 2017Group: Source and taxonomy / Structure summary / Category: entity_src_gen / struct / Item: _entity_src_gen.gene_src_strain / _struct.title
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 / 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 / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_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
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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
G: glycoprotein gp120
B: glycoprotein gp41
L: Fab PGT124 light chain
H: Fab PGT124 heavy chain
D: Fab 35022 heavy chain
E: Fab 35022 light chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)179,60328
Polymers168,6906
Non-polymers10,91322
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)126.456, 126.456, 314.093
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number173
Space group name H-MP63
DetailsThe asymmetric unit (6 chains) is 1/3 of a trimer- the trimer is the biological assembly.

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Components

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Glycoprotein ... , 2 types, 2 molecules GB

#1: Protein glycoprotein gp120


Mass: 53984.977 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human immunodeficiency virus 1 / Strain: 16055 / Gene: env / Cell line (production host): 293S freestyle / Production host: Homo sapiens (human) / References: UniProt: A1EAI1*PLUS
#2: Protein glycoprotein gp41


Mass: 17086.340 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human immunodeficiency virus 1 / Strain: 16055 / Gene: env / Cell line (production host): 293S freestyle / Production host: Homo sapiens (human) / References: UniProt: A1EAI1*PLUS

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Antibody , 4 types, 4 molecules LHDE

#3: Antibody Fab PGT124 light chain


Mass: 23056.605 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): 293 Freestyle / Production host: Homo sapiens (human)
#4: Antibody Fab PGT124 heavy chain


Mass: 25460.508 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): 293 Freestyle / Production host: Homo sapiens (human)
#5: Antibody Fab 35022 heavy chain


Mass: 25783.057 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): 293 Freestyle / Production host: Homo sapiens (human)
#6: Antibody Fab 35022 light chain


Mass: 23318.824 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): 293 Freestyle / Production host: Homo sapiens (human)

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Sugars , 7 types, 22 molecules

#7: 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.: 8
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
#8: 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
#9: 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.: 1
Source method: isolated from a genetically manipulated source
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
#10: Polysaccharide alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D- ...alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[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: 1721.527 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-2DManpa1-2DManpa1-3[DManpa1-2DManpa1-6[DManpa1-3]DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,10,9/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-3-3-3-3-3/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e2-f1_g3-h1_g6-i1_i2-j1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-Manp]{[(3+1)][a-D-Manp]{[(2+1)][a-D-Manp]{[(2+1)][a-D-Manp]{}}}[(6+1)][a-D-Manp]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{[(2+1)][a-D-Manp]{}}}}}}}LINUCSPDB-CARE
#11: Polysaccharide alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D- ...alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[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: 1235.105 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3[DManpa1-6]DManpa1-6[DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,7,6/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-3-3/a4-b1_b4-c1_c3-d1_c6-e1_e3-f1_e6-g1WURCSPDB2Glycan 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]{[(3+1)][a-D-Manp]{}[(6+1)][a-D-Manp]{}}}}}}LINUCSPDB-CARE
#12: Polysaccharide alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D- ...alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[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: 1072.964 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-3DManpa1-6[DManpa1-3]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,6,5/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-3/a4-b1_b4-c1_c3-d1_c6-e1_e3-f1WURCSPDB2Glycan 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]{[(3+1)][a-D-Manp]{}}}}}}LINUCSPDB-CARE
#13: 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 / N-Acetylglucosamine


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 9
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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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 4.3 Å3/Da / Density % sol: 71.38 %
Crystal growTemperature: 277 K / Method: vapor diffusion, sitting drop / pH: 4.03
Details: 0.2M ammonium sulfate, 10% glycerol, 22% PEG 300, 0.1M phosphate-citrate

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.0332 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Oct 17, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0332 Å / Relative weight: 1
ReflectionResolution: 3.935→49.25 Å / Num. obs: 25153 / % possible obs: 100 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 5 % / Biso Wilson estimate: 119 Å2 / CC1/2: 0.923 / Rmerge(I) obs: 0.194 / Rpim(I) all: 0.096 / Rrim(I) all: 0.217 / Rsym value: 0.194 / Χ2: 1.06 / Net I/av σ(I): 7.5 / Net I/σ(I): 7.5
Reflection shellResolution: 3.935→4.02 Å / Redundancy: 4.9 % / Rmerge(I) obs: 1.51 / Mean I/σ(I) obs: 1.1 / Num. unique all: 1224 / Num. unique obs: 1224 / CC1/2: 0.64 / Rpim(I) all: 0.75 / Rrim(I) all: 1.69 / Rsym value: 1.51 / Χ2: 1.1 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX(1.10_2155: ???)refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5cez, 4r26
Resolution: 3.935→49.247 Å / SU ML: 0.57 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 38.2 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.3285 1254 5.01 %
Rwork0.2603 --
obs0.2634 25053 99.62 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.935→49.247 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11500 0 721 0 12221
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00312566
X-RAY DIFFRACTIONf_angle_d0.6417219
X-RAY DIFFRACTIONf_dihedral_angle_d14.5614704
X-RAY DIFFRACTIONf_chiral_restr0.0442093
X-RAY DIFFRACTIONf_plane_restr0.0042104
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.9351-4.09260.34821370.3522604X-RAY DIFFRACTION99
4.0926-4.27880.30361450.32052632X-RAY DIFFRACTION100
4.2788-4.50420.31661370.292643X-RAY DIFFRACTION99
4.5042-4.78620.32381410.25182616X-RAY DIFFRACTION99
4.7862-5.15540.34681400.24872650X-RAY DIFFRACTION100
5.1554-5.67350.31351400.25092650X-RAY DIFFRACTION100
5.6735-6.49290.32951370.27152655X-RAY DIFFRACTION100
6.4929-8.17430.29321440.26572658X-RAY DIFFRACTION100
8.1743-49.25110.35541330.22022691X-RAY DIFFRACTION100
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
12.9951-1.9263-0.83542.10330.00086.8993-0.4891-0.7101-0.2960.36750.20060.28830.05980.41660.14161.3218-0.2380.13851.1514-0.05341.3576-444.1824-57.0772-8.219
21.80280.23540.42962.00893.66925.68730.17250.0837-0.1240.2828-0.2361-0.2713-0.146-0.6165-0.11240.99080.1420.21640.82780.12181.3296-445.8057-55.926530.6203
30.70310.1253-0.29890.1050.48034.3912-0.23270.0852-0.197-0.03140.0261-0.15160.67190.42960.24341.22620.01050.210.9938-0.00641.2872-442.1434-70.883111.0873
40.3438-0.9876-0.89583.88692.4641.81470.33850.32311.64720.51660.1039-0.0247-1.0435-0.69570.05061.79690.12840.26981.7723-0.12481.5541-445.9315-52.56-19.0967
56.36071.5641-0.29839.6867-1.67228.1238-1.35561.0285-1.21150.056-0.2099-1.5137-0.55411.14681.30991.2618-0.13940.16930.9945-0.21241.4494-439.0962-42.1918-11.3588
63.7148-0.41693.90996.8346-1.26074.045-0.36220.4077-0.5483-0.03770.1227-0.5626-1.27240.59920.20681.58-0.36870.21291.59150.05031.186-427.7548-55.4214-31.3999
73.74494.2385-3.41715.7209-3.51433.19890.2683-0.160.65190.1906-0.4966-0.8780.47250.8040.41382.7747-1.32350.83031.9722-0.39531.8637-425.0114-36.8958-34.1393
83.4313-1.2621-3.09894.5367-0.47735.40270.0406-0.32631.7630.5419-0.98362.44821.65540.00621.27560.7759-0.19030.51121.2628-0.04491.5021-484.1036-72.932657.2354
96.33042.1156-0.45565.2395-1.66691.2161-1.9889-0.0238-0.3674-0.69832.31230.6768-0.3501-0.40070.25062.29490.39080.01931.00730.14191.5999-468.5831-73.242647.6199
102.96542.10293.33386.01823.74734.15110.40110.29410.5152-0.79211.42341.528-1.20520.4726-0.79880.7294-0.48260.42762.06380.11711.3986-475.9465-84.995158.5842
113.7265-0.5082-4.42253.531-0.78415.8126-0.4531-0.1055-1.421-3.89120.09572.066-1.29980.34680.41991.1312-0.2069-0.03512.0380.13721.9168-478.2552-87.917747.2457
123.5822-1.2596-0.04186.4135-0.15792.4011-1.83280.3533-0.4344-1.33050.34440.71221.6349-0.55811.49631.359-0.02080.18131.16440.00281.5453-478.9348-78.343750.2254
130.1875-0.3152-0.01420.3741-0.28613.3275-0.8151.5268-2.4311.45280.5465-0.57050.3291-0.4070.81931.4927-0.86850.57881.13030.00221.4196-462.6416-76.703552.696
142.15732.0694-2.57061.9536-2.63614.0385-0.2973-1.03071.00410.17650.37651.80432.54-0.0008-0.18861.4895-0.09270.18951.3169-0.15661.4867-493.3613-79.564571.2474
157.1502-4.2381.40573.977-3.98927.86441.2403-1.2582-0.0785-1.0887-0.9940.55121.59873.272-0.44951.89730.85950.3932.3905-0.02581.5847-487.5291-90.696100.3982
163.63421.51760.86052.7996-0.40045.0576-0.93520.33270.6703-0.1153-0.48460.55051.71020.3030.98961.43760.12260.24981.48560.18671.7109-492.0849-78.784883.4347
173.83682.7110.44712.0111-0.41216.58130.4667-1.14581.46750.1557-1.3812-0.81541.0991.17071.09781.6516-0.00990.2960.8130.14161.8853-490.2799-81.727494.7965
189.2761.96631.48317.7022.77529.13980.1442-1.19010.7624-0.84-0.8541.0646-2.41260.22960.8291.13520.03930.24670.96090.15531.7072-499.9739-78.475390.0281
195.0118-0.59640.33915.40443.04468.0488-0.3912-1.346-2.03470.00790.4789-0.29561.028-0.22840.62892.21420.61840.65741.29920.53032.0511-463.0485-94.40467.418
204.43520.5831.41915.69582.89442.0108-1.3270.1894-1.2747-0.81-0.5813-0.56111.12572.72311.31111.94730.22490.05740.9680.12220.9999-463.7959-82.368464.4773
213.4051-0.42981.96156.40773.38968.9140.15320.5912-0.84391.0351-0.6101-1.22812.67972.34080.52411.05610.49490.38861.73630.42211.8277-455.3662-90.153766.5511
222.4680.2933-3.22772.78471.73124.0696-0.7484-0.8662-0.8752-0.5590.29650.10352.28720.5410.58211.43480.15440.42481.57070.49791.5531-470.469-88.559764.4571
234.5618-1.1781-2.54042.3518-0.46834.5103-1.0447-0.1107-1.77060.54740.49720.29211.22371.1710.98211.95570.19850.41671.55890.43012.0787-485.1646-94.635584.57
241.7902-0.4717-1.58133.20780.58143.1958-1.9112-1.5299-1.7025-0.15930.0487-1.16412.01920.49131.35851.692-0.06740.11331.55230.31533.0032-486.9049-100.421993.0624
253.68450.5823-1.09623.678-1.46693.588-0.38-0.1415-0.7006-0.13990.6842-0.44951.123-0.4284-0.19841.75810.20.34791.35580.06781.4931-432.2062-88.2461-32.3313
262.4101-0.32641.2891.8625-2.04615.51690.00461.1079-0.5691-0.6724-0.8227-0.30372.59551.25351.40681.8759-0.01120.0852.8815-0.1211.458-424.0236-90.388-34.7638
274.9572-0.64592.02230.94071.64274.6178-1.1878-1.97520.18940.24261.37580.2574-0.79292.1417-0.38092.18030.63450.10082.677-0.06922.6017-401.5254-101.8327-29.7946
283.2375-0.22720.19625.88432.79384.48211.34531.4289-0.4093-2.5889-0.7508-1.1190.8663-0.7411-0.5312.35460.32640.62471.9340.24011.7991-423.2423-81.3581-52.1138
295.08311.3208-0.13596.89711.66852.8076-1.28841.0329-0.1764-1.35040.6887-1.02920.3210.59130.41652.42770.17920.41131.61880.04881.6157-422.9182-76.6516-49.9024
306.4946-0.72840.89223.60822.19241.56760.89450.3467-0.60651.1545-0.6508-3.41351.24260.263-0.27172.3348-0.0756-0.49722.2378-0.31023.441-398.7168-96.0918-45.4655
312.7987-1.9925-0.62754.36434.47665.52211.3133-0.09640.5917-0.1842-0.4029-1.55131.85990.9034-0.22052.11250.3494-0.26462.4551-0.74262.6611-399.3159-108.4204-45.1663
324.99954.7296-0.48054.4418-1.11097.58850.80461.2873-1.1487-0.2314-0.2058-2.16571.6031-1.8441-0.44341.4947-0.2308-0.12012.307-0.30692.403-398.8545-106.8906-44.194
338.3543-0.54280.23162.14313.66266.44250.4570.2509-4.1725-1.8659-0.247-0.60354.5383-3.5504-0.12581.8828-0.61510.781.9653-0.6422.5939-390.6377-105.426-47.8754
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'G' and (resid 32 through 98 )
2X-RAY DIFFRACTION2chain 'G' and (resid 99 through 222 )
3X-RAY DIFFRACTION3chain 'G' and (resid 223 through 510 )
4X-RAY DIFFRACTION4chain 'B' and (resid 521 through 569 )
5X-RAY DIFFRACTION5chain 'B' and (resid 570 through 595 )
6X-RAY DIFFRACTION6chain 'B' and (resid 596 through 639 )
7X-RAY DIFFRACTION7chain 'B' and (resid 640 through 662 )
8X-RAY DIFFRACTION8chain 'L' and (resid 6 through 21 )
9X-RAY DIFFRACTION9chain 'L' and (resid 22 through 33 )
10X-RAY DIFFRACTION10chain 'L' and (resid 34 through 48 )
11X-RAY DIFFRACTION11chain 'L' and (resid 49 through 61 )
12X-RAY DIFFRACTION12chain 'L' and (resid 62 through 89 )
13X-RAY DIFFRACTION13chain 'L' and (resid 90 through 101 )
14X-RAY DIFFRACTION14chain 'L' and (resid 102 through 119 )
15X-RAY DIFFRACTION15chain 'L' and (resid 120 through 130 )
16X-RAY DIFFRACTION16chain 'L' and (resid 131 through 172 )
17X-RAY DIFFRACTION17chain 'L' and (resid 173 through 188 )
18X-RAY DIFFRACTION18chain 'L' and (resid 189 through 210 )
19X-RAY DIFFRACTION19chain 'H' and (resid 1 through 39 )
20X-RAY DIFFRACTION20chain 'H' and (resid 40 through 51 )
21X-RAY DIFFRACTION21chain 'H' and (resid 52 through 87 )
22X-RAY DIFFRACTION22chain 'H' and (resid 88 through 133 )
23X-RAY DIFFRACTION23chain 'H' and (resid 134 through 201 )
24X-RAY DIFFRACTION24chain 'H' and (resid 202 through 214 )
25X-RAY DIFFRACTION25chain 'D' and (resid 1 through 100E)
26X-RAY DIFFRACTION26chain 'D' and (resid 100F through 111 )
27X-RAY DIFFRACTION27chain 'D' and (resid 112 through 222 )
28X-RAY DIFFRACTION28chain 'E' and (resid 2 through 50 )
29X-RAY DIFFRACTION29chain 'E' and (resid 51 through 105 )
30X-RAY DIFFRACTION30chain 'E' and (resid 106 through 127 )
31X-RAY DIFFRACTION31chain 'E' and (resid 128 through 165 )
32X-RAY DIFFRACTION32chain 'E' and (resid 166 through 200 )
33X-RAY DIFFRACTION33chain 'E' and (resid 201 through 214 )

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