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- PDB-5fec: Crystal structure of 3BNC60 Fab germline precursor in complex wit... -

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Basic information

Entry
Database: PDB / ID: 5fec
TitleCrystal structure of 3BNC60 Fab germline precursor in complex with 426c.TM4deltaV1-3 gp120
Components
  • (germline 3BNC60 ...) x 2
  • 426c.TM4deltaV1-3 gp120
KeywordsIMMUNE SYSTEM / ANTIBODY / HIV-1
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 / host cell endosome membrane / clathrin-dependent endocytosis of virus by host cell / viral protein processing / fusion of virus membrane with host plasma membrane / virus-mediated perturbation of host defense response / 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 / host cell endosome membrane / clathrin-dependent endocytosis of virus by host cell / viral protein processing / fusion of virus membrane with host plasma membrane / virus-mediated perturbation of host defense response / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / structural molecule activity / virion membrane / plasma membrane
Similarity search - Function
HIV Envelope Protein Gp120; Chain G / Human immunodeficiency virus 1, Gp160, envelope glycoprotein / Envelope glycoprotein Gp160 / Retroviral envelope protein / Retroviral envelope protein GP41-like / Gp120 core superfamily / Envelope glycoprotein GP120 / Human immunodeficiency virus 1, envelope glycoprotein Gp120 / Beta Complex / Immunoglobulins ...HIV Envelope Protein Gp120; Chain G / Human immunodeficiency virus 1, Gp160, envelope glycoprotein / Envelope glycoprotein Gp160 / Retroviral envelope protein / Retroviral envelope protein GP41-like / Gp120 core superfamily / Envelope glycoprotein GP120 / Human immunodeficiency virus 1, envelope glycoprotein Gp120 / Beta Complex / Immunoglobulins / Immunoglobulin-like / Sandwich / Mainly Beta
Similarity search - Domain/homology
Envelope glycoprotein gp160
Similarity search - Component
Biological speciesHomo sapiens (human)
Human immunodeficiency virus 1
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.17 Å
AuthorsScharf, L. / Bjorkman, P.J.
CitationJournal: Elife / Year: 2016
Title: Structural basis for germline antibody recognition of HIV-1 immunogens.
Authors: Scharf, L. / West, A.P. / Sievers, S.A. / Chen, C. / Jiang, S. / Gao, H. / Gray, M.D. / McGuire, A.T. / Scheid, J.F. / Nussenzweig, M.C. / Stamatatos, L. / Bjorkman, P.J.
History
DepositionDec 16, 2015Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 4, 2016Provider: repository / Type: Initial release
Revision 1.1Sep 27, 2017Group: Author supporting evidence / Derived calculations / Category: pdbx_audit_support / pdbx_struct_oper_list / Item: _pdbx_struct_oper_list.symmetry_operation
Revision 1.2Dec 11, 2019Group: Database references / Derived calculations
Category: pdbx_struct_assembly / pdbx_struct_assembly_gen ...pdbx_struct_assembly / pdbx_struct_assembly_gen / pdbx_struct_assembly_prop / pdbx_struct_oper_list / struct_ref_seq
Item: _pdbx_struct_assembly_gen.assembly_id / _pdbx_struct_assembly_gen.asym_id_list ..._pdbx_struct_assembly_gen.assembly_id / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_assembly_gen.oper_expression / _struct_ref_seq.db_align_end
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 / 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_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.occupancy / _atom_site.type_symbol / _chem_comp.name / _chem_comp.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_validate_close_contact.auth_asym_id_1 / _pdbx_validate_close_contact.auth_asym_id_2 / _pdbx_validate_close_contact.auth_seq_id_1 / _pdbx_validate_close_contact.auth_seq_id_2 / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_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 2.1Sep 27, 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
H: germline 3BNC60 heavy chain
L: germline 3BNC60 light chain
A: germline 3BNC60 heavy chain
B: germline 3BNC60 light chain
C: 426c.TM4deltaV1-3 gp120
D: 426c.TM4deltaV1-3 gp120
G: 426c.TM4deltaV1-3 gp120
I: 426c.TM4deltaV1-3 gp120
hetero molecules


Theoretical massNumber of molelcules
Total (without water)260,75827
Polymers253,9588
Non-polymers6,79919
Water00
1
G: 426c.TM4deltaV1-3 gp120
I: 426c.TM4deltaV1-3 gp120
hetero molecules

H: germline 3BNC60 heavy chain
L: germline 3BNC60 light chain


Theoretical massNumber of molelcules
Total (without water)130,34913
Polymers126,9794
Non-polymers3,3709
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation4_555x+1/2,-y+1/2,-z1
Buried area9880 Å2
ΔGint28 kcal/mol
Surface area47560 Å2
MethodPISA
2
A: germline 3BNC60 heavy chain
B: germline 3BNC60 light chain
D: 426c.TM4deltaV1-3 gp120
hetero molecules

C: 426c.TM4deltaV1-3 gp120
hetero molecules


Theoretical massNumber of molelcules
Total (without water)130,40814
Polymers126,9794
Non-polymers3,42910
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation3_545-x,y-1/2,-z+1/21
Buried area11360 Å2
ΔGint24 kcal/mol
Surface area46870 Å2
MethodPISA
Unit cell
Length a, b, c (Å)103.070, 134.103, 194.955
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number19
Space group name H-MP212121

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Components

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Protein , 1 types, 4 molecules CDGI

#3: Protein
426c.TM4deltaV1-3 gp120


Mass: 39445.875 Da / Num. of mol.: 4 / Mutation: S278R, G471S, N460D, N463D
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Human immunodeficiency virus 1 / Cell line (production host): HEK296-6E / Production host: Homo sapiens (human) / References: UniProt: A0A0K1H6P9*PLUS

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Antibody , 2 types, 4 molecules HALB

#1: Antibody germline 3BNC60 heavy chain


Mass: 25065.068 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK293-6E / Production host: Homo sapiens (human)
#2: Antibody germline 3BNC60 light chain


Mass: 23022.424 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Cell line (production host): HEK293-6E / Production host: Homo sapiens (human)

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Sugars , 5 types, 19 molecules

#4: Polysaccharide alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2- ...alpha-D-mannopyranose-(1-2)-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: 910.823 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-2DManpa1-3DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-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_d2-e1WURCSPDB2Glycan 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]{}}}}}}LINUCSPDB-CARE
#5: 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.: 1
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
#6: 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-(1-6)-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: 1397.245 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-2DManpa1-2DManpa1-3[DManpa1-6DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/3,8,7/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-3-3-3-3/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e2-f1_g6-h1WURCSPDB2Glycan 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]{[(6+1)][a-D-Manp]{}}}}}}LINUCSPDB-CARE
#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.: 1
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: 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.: 15
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: 2.65 Å3/Da / Density % sol: 53.63 %
Crystal growTemperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7
Details: 0.1 M Imidazole pH 7.0, 8% PEG 10,000, 10 mM calcium chloride dihydrate

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL12-2 / Wavelength: 1.033 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 6, 2014
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.033 Å / Relative weight: 1
ReflectionResolution: 3.17→39.424 Å / Num. obs: 46508 / % possible obs: 97.7 % / Redundancy: 5.8 % / Biso Wilson estimate: 70.16 Å2 / CC1/2: 0.73 / Rmerge(I) obs: 0.56 / Rpim(I) all: 0.249 / Rrim(I) all: 0.614 / Net I/σ(I): 2.4 / Num. measured all: 123364 / Scaling rejects: 187
Reflection shell

Diffraction-ID: 1 / Rejects: _

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. measured allNum. unique allCC1/2Rpim(I) allRrim(I) allNet I/σ(I) obs% possible all
3.17-3.3950.9341711634070.350.4411.0371.487.6
8.96-45.855.40.481558910320.7390.2150.5293.499

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Processing

Software
NameVersionClassification
PHENIX(1.10.1_2155: ???)refinement
Aimless0.1.26data scaling
PDB_EXTRACT3.15data extraction
XDSdata reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5F7E, 5FA2
Resolution: 3.17→39.424 Å / SU ML: 0.4 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 26.89 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2664 1104 2.37 %Random selection
Rwork0.2021 ---
obs0.2036 46496 99.79 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.17→39.424 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms16170 0 443 0 16613
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.01817042
X-RAY DIFFRACTIONf_angle_d1.52323356
X-RAY DIFFRACTIONf_dihedral_angle_d13.65210143
X-RAY DIFFRACTIONf_chiral_restr0.0762788
X-RAY DIFFRACTIONf_plane_restr0.0112963
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.1701-3.31430.35291370.28545620X-RAY DIFFRACTION100
3.3143-3.48890.32311340.25235585X-RAY DIFFRACTION100
3.4889-3.70730.31561370.23245603X-RAY DIFFRACTION100
3.7073-3.99330.26771380.20855637X-RAY DIFFRACTION100
3.9933-4.39470.24571370.18125640X-RAY DIFFRACTION100
4.3947-5.02960.24741380.16155685X-RAY DIFFRACTION100
5.0296-6.33250.24281390.18895722X-RAY DIFFRACTION100
6.3325-39.42710.24651440.19855900X-RAY DIFFRACTION99
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)
10.87470.7239-0.37441.7853-0.09032.2401-0.1358-0.0588-0.0334-0.16870.15530.3211-0.10930.1541-0.01520.3715-0.0521-0.05580.36980.07560.3667-15.8905-1.24193.5688
20.99080.2434-0.93932.49340.4153.29450.27840.31670.4009-0.61770.13540.0565-0.426-0.3341-0.30520.4579-0.04220.01370.40550.02380.3254-16.26145.61334.3734
32.00050.7430.58792.28050.01452.02640.0489-0.1229-0.07410.2896-0.25830.67970.5636-0.0919-0.03870.3274-0.0678-0.03960.35910.01750.3367-17.6833-7.57937.7735
42.28580.0148-0.03892.60991.3490.6937-0.137-0.1003-0.01980.72560.3650.1003-1.1156-0.1435-0.04730.31980.0844-0.00080.32980.05930.5579-16.219410.551935.1493
52.2703-0.0294-0.20552.68180.20762.5261-0.04980.06250.1250.37870.09480.079-0.02220.2349-0.01560.3989-0.01960.04220.31160.05250.327-13.57123.935235.0633
61.37720.3389-0.69971.83420.61641.1913-0.06-0.0353-0.22630.0609-0.07230.41540.4108-0.24870.09130.4674-0.11530.00650.40180.08120.6051-28.1322-18.828513.7428
71.07010.05420.09141.16860.07231.1837-0.0705-0.12070.09490.49490.2120.3117-0.1709-0.2025-0.07590.71630.0330.27350.53260.08240.6282-28.06562.754742.7032
81.45180.7646-0.65121.4907-0.38631.8015-0.19080.03470.1550.10370.0529-0.01290.07750.05160.10710.3546-0.0287-0.08160.3133-0.03080.2974-9.7116-42.459534.6301
91.3528-0.06521.06612.70450.7751.1260.05960.33430.2389-0.29620.22140.3724-0.42970.0728-0.35080.3937-0.189-0.05230.64470.1260.4374-34.2108-51.369610.1695
101.9758-0.33570.021.810.9833.8670.0025-0.0114-0.2311-0.24760.4074-0.03310.78080.1426-0.32630.5776-0.176-0.11030.53090.0190.4-29.0496-55.055410.2643
112.1157-0.0959-0.43721.30590.30491.98680.1858-0.2272-0.0618-0.09250.03880.11630.2512-0.009-0.1670.4381-0.1328-0.0610.58890.04460.314-29.3832-56.46317.1121
120.6051-0.18711.08740.95-0.28292.25740.04750.26530.1220.04980.0139-0.3720.00370.3461-0.09840.3311-0.0622-0.01330.47730.00610.49631.1269-38.772814.2129
132.8529-0.83251.13191.314-0.26341.47450.1042-0.00290.25610.08450.05730.12820.01960.0051-0.15050.405-0.08050.00070.45510.05330.5016-29.628-41.41920.0515
141.3559-0.6082-0.51981.4577-0.24061.38960.4579-0.1205-0.4813-0.10040.3331-0.13110.4113-0.0279-0.57310.5403-0.1257-0.12410.42870.09720.365310.587712.990635.5287
151.272-0.7725-0.83340.45220.13462.4297-0.25770.2836-0.49650.0588-0.03450.15520.30180.06160.1690.3923-0.1173-0.02560.4239-0.04430.462112.68677.287531.5312
161.87370.3055-0.42451.2663-0.0921.06-0.16550.0841-0.1885-0.05070.042-0.20860.08670.11980.0990.42320.00420.00740.44920.03620.42830.364714.006527.3029
171.34140.12730.10771.3468-0.60351.77050.0625-0.0798-0.13240.0921-0.139-0.4138-0.10370.03120.06220.54340.0623-0.16860.3854-0.06790.589421.152-30.902458.7421
182.00631.71860.05874.0602-0.19770.0220.2136-0.28080.13030.4944-0.4077-0.01260.09560.25510.14960.53550.0473-0.18430.574-0.11460.40555.7083-43.43867.2516
191.09840.5520.1150.4761-0.41421.1765-0.1226-0.11870.77220.02720.0527-0.3158-0.43710.22240.07730.52420.0363-0.13020.4844-0.0790.84420.9364-23.935651.995
200.57170.0324-0.05371.4369-0.51451.7136-0.0353-0.06620.32750.25480.1296-0.1036-0.3137-0.0855-0.01740.5080.0338-0.15150.3668-0.05560.5381-0.9749-22.843453.0509
210.73930.7966-0.67741.3482-0.16121.1645-0.1595-0.2390.05460.3719-0.0425-0.1838-0.2598-0.31970.12810.46030.1376-0.15010.4668-0.12660.4139-4.4083-29.734660.0697
222.1158-0.03380.13860.62080.41890.515-0.0120.290.3418-0.221-0.2206-0.0477-0.06480.1960.14620.4885-0.0255-0.14640.42690.02550.51976.5165-26.855845.5349
231.8570.3856-0.40061.8953-0.35341.85280.38850.2927-0.11460.0411-0.4724-0.35030.08740.15270.07070.40280.05180.0180.66510.08560.473510.696411.6905-10.5032
245.9747-1.08831.39012.2374-0.63481.7249-0.28950.2065-0.15740.16270.06260.05380.0936-0.28490.20660.41820.02640.040.46320.08580.3316-5.048118.7998-21.7977
251.091-0.68810.55392.6997-0.9091.59190.0174-0.02780.31550.0747-0.1922-0.5051-0.09770.24280.13490.3105-0.0341-0.00010.51420.08890.54259.057628.586-10.2972
261.5607-0.38420.49951.6666-0.82511.2843-0.04660.10340.4061-0.0801-0.186-0.3374-0.13280.2020.20280.39680.0096-0.01270.50090.0660.53392.921434.9075-15.6332
272.57340.8161-0.01191.6553-0.16190.05640.11850.3385-0.9476-0.23660.2154-0.75150.25770.0783-0.28511.0511-0.0645-0.00620.7576-0.1680.8209-5.2254-23.8676-30.8324
284.27122.76871.63843.88020.6250.75760.00860.2038-0.4497-0.71010.3373-0.2771-0.04340.1342-0.36720.93040.09860.12830.6751-0.07380.43982.5968-11.7314-20.0387
291.04960.0664-0.34040.83310.38031.2623-0.22860.4967-1.0956-0.0840.03690.17180.7272-0.20970.19311.2516-0.03090.00210.7804-0.24630.9287-11.1259-22.1627-27.4671
300.5527-0.0892-0.42610.9497-0.14320.5703-0.12550.5029-0.4244-0.3552-0.122-0.0136-0.2503-0.13410.19910.9508-0.1535-0.18180.6815-0.12850.5911-19.4301-15.1434-24.064
316.27072.46770.71712.94540.76841.60390.5954-0.54450.373-0.3901-0.68910.08230.5496-0.09570.16390.9517-0.0087-0.12210.73890.06440.443-9.97567.5649-32.3484
321.46810.8571-0.24380.9123-0.64691.22730.05330.30740.1117-0.57660.10230.37130.45-0.2164-0.0880.8548-0.0677-0.20360.55030.07870.5149-15.7351-0.3172-22.6031
330.43420.01680.34071.64330.64880.9057-0.18830.2038-0.8397-0.585-0.09610.89450.4187-0.49040.14760.7825-0.0723-0.22460.5499-0.07350.654-19.7857-12.5653-16.8052
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'H' and (resid 1 through 72 )
2X-RAY DIFFRACTION2chain 'H' and (resid 72A through 87 )
3X-RAY DIFFRACTION3chain 'H' and (resid 88 through 111 )
4X-RAY DIFFRACTION4chain 'H' and (resid 112 through 134 )
5X-RAY DIFFRACTION5chain 'H' and (resid 135 through 213 )
6X-RAY DIFFRACTION6chain 'L' and (resid 3 through 97 )
7X-RAY DIFFRACTION7chain 'L' and (resid 98 through 207 )
8X-RAY DIFFRACTION8chain 'A' and (resid 2 through 111 )
9X-RAY DIFFRACTION9chain 'A' and (resid 112 through 134 )
10X-RAY DIFFRACTION10chain 'A' and (resid 135 through 157 )
11X-RAY DIFFRACTION11chain 'A' and (resid 158 through 213 )
12X-RAY DIFFRACTION12chain 'B' and (resid 1 through 109 )
13X-RAY DIFFRACTION13chain 'B' and (resid 110 through 209 )
14X-RAY DIFFRACTION14chain 'C' and (resid 44 through 64 )
15X-RAY DIFFRACTION15chain 'C' and (resid 65 through 98 )
16X-RAY DIFFRACTION16chain 'C' and (resid 99 through 491 )
17X-RAY DIFFRACTION17chain 'D' and (resid 44 through 115 )
18X-RAY DIFFRACTION18chain 'D' and (resid 116 through 215 )
19X-RAY DIFFRACTION19chain 'D' and (resid 216 through 258 )
20X-RAY DIFFRACTION20chain 'D' and (resid 259 through 384 )
21X-RAY DIFFRACTION21chain 'D' and (resid 385 through 456 )
22X-RAY DIFFRACTION22chain 'D' and (resid 457 through 491 )
23X-RAY DIFFRACTION23chain 'G' and (resid 45 through 98 )
24X-RAY DIFFRACTION24chain 'G' and (resid 99 through 202 )
25X-RAY DIFFRACTION25chain 'G' and (resid 203 through 352 )
26X-RAY DIFFRACTION26chain 'G' and (resid 353 through 492 )
27X-RAY DIFFRACTION27chain 'I' and (resid 47 through 98 )
28X-RAY DIFFRACTION28chain 'I' and (resid 99 through 202 )
29X-RAY DIFFRACTION29chain 'I' and (resid 203 through 241 )
30X-RAY DIFFRACTION30chain 'I' and (resid 242 through 291 )
31X-RAY DIFFRACTION31chain 'I' and (resid 292 through 334 )
32X-RAY DIFFRACTION32chain 'I' and (resid 335 through 456 )
33X-RAY DIFFRACTION33chain 'I' and (resid 457 through 490 )

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