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- PDB-7alo: Structure of B*27:09/photoRL9 -

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Basic information

Entry
Database: PDB / ID: 7alo
TitleStructure of B*27:09/photoRL9
Components
  • Beta-2-microglobulinBeta-2 microglobulin
  • Lymphocyte antigen HLA-B27
  • Vasoactive intestinal polypeptide receptor 1
KeywordsIMMUNE SYSTEM / MHC (MAJOR HISTOCOMPATIBILITY COMPLEX)
Function / homology
Function and homology information


vasoactive intestinal polypeptide receptor activity / G protein-coupled peptide receptor activity / peptide hormone binding / G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger / antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent / antigen processing and presentation of endogenous peptide antigen via MHC class Ib / positive regulation of ferrous iron binding / positive regulation of transferrin receptor binding / positive regulation of receptor binding / early endosome lumen ...vasoactive intestinal polypeptide receptor activity / G protein-coupled peptide receptor activity / peptide hormone binding / G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger / antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent / antigen processing and presentation of endogenous peptide antigen via MHC class Ib / positive regulation of ferrous iron binding / positive regulation of transferrin receptor binding / positive regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / DAP12 interactions / negative regulation of receptor binding / lumenal side of endoplasmic reticulum membrane / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / cellular response to iron(III) ion / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / negative regulation of forebrain neuron differentiation / adenylate cyclase-modulating G protein-coupled receptor signaling pathway / ER to Golgi transport vesicle membrane / regulation of erythrocyte differentiation / peptide antigen assembly with MHC class I protein complex / response to molecule of bacterial origin / regulation of iron ion transport / MHC class I peptide loading complex / HFE-transferrin receptor complex / T cell mediated cytotoxicity / cellular response to iron ion / antigen processing and presentation of endogenous peptide antigen via MHC class I / positive regulation of T cell cytokine production / MHC class I protein complex / Glucagon-type ligand receptors / multicellular organismal-level iron ion homeostasis / negative regulation of neurogenesis / peptide antigen assembly with MHC class II protein complex / positive regulation of receptor-mediated endocytosis / positive regulation of T cell mediated cytotoxicity / MHC class II protein complex / cellular response to nicotine / recycling endosome membrane / specific granule lumen / phagocytic vesicle membrane / peptide antigen binding / positive regulation of cellular senescence / antigen processing and presentation of exogenous peptide antigen via MHC class II / negative regulation of epithelial cell proliferation / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / Interferon gamma signaling / positive regulation of immune response / Modulation by Mtb of host immune system / sensory perception of smell / positive regulation of T cell activation / positive regulation of protein binding / tertiary granule lumen / DAP12 signaling / negative regulation of neuron projection development / MHC class II protein complex binding / late endosome membrane / T cell differentiation in thymus / ER-Phagosome pathway / iron ion transport / early endosome membrane / protein refolding / G alpha (s) signalling events / protein homotetramerization / intracellular iron ion homeostasis / amyloid fibril formation / learning or memory / cell surface receptor signaling pathway / receptor complex / immune response / G protein-coupled receptor signaling pathway / Amyloid fiber formation / lysosomal membrane / external side of plasma membrane / endoplasmic reticulum lumen / Golgi membrane / signaling receptor binding / focal adhesion / Neutrophil degranulation / positive regulation of cell population proliferation / SARS-CoV-2 activates/modulates innate and adaptive immune responses / structural molecule activity / Golgi apparatus / endoplasmic reticulum / protein homodimerization activity / extracellular space / extracellular exosome / extracellular region / membrane / identical protein binding / plasma membrane / cytosol
Similarity search - Function
GPCR, family 2, vasoactive intestinal peptide receptor 1 / GPCR, family 2, vasoactive intestinal peptide receptor / G-protein coupled receptors family 2 signature 1. / Hormone receptor domain / GPCR, family 2, extracellular hormone receptor domain / G-protein coupled receptors family 2 profile 1. / Domain present in hormone receptors / GPCR family 2, extracellular hormone receptor domain superfamily / G-protein coupled receptors family 2 signature 2. / GPCR, family 2, secretin-like, conserved site ...GPCR, family 2, vasoactive intestinal peptide receptor 1 / GPCR, family 2, vasoactive intestinal peptide receptor / G-protein coupled receptors family 2 signature 1. / Hormone receptor domain / GPCR, family 2, extracellular hormone receptor domain / G-protein coupled receptors family 2 profile 1. / Domain present in hormone receptors / GPCR family 2, extracellular hormone receptor domain superfamily / G-protein coupled receptors family 2 signature 2. / GPCR, family 2, secretin-like, conserved site / GPCR, family 2, secretin-like / 7 transmembrane receptor (Secretin family) / GPCR, family 2-like / G-protein coupled receptors family 2 profile 2. / MHC class I, alpha chain, C-terminal / MHC_I C-terminus / MHC class I alpha chain, alpha1 alpha2 domains / Class I Histocompatibility antigen, domains alpha 1 and 2 / Beta-2-Microglobulin / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily / MHC classes I/II-like antigen recognition protein / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold
Similarity search - Domain/homology
DI(HYDROXYETHYL)ETHER / TRIETHYLENE GLYCOL / Lymphocyte antigen HLA-B27 / Vasoactive intestinal polypeptide receptor 1 / Beta-2-microglobulin
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å
AuthorsLoll, B. / Lan, H. / Freund, C.
Funding support Germany, 2items
OrganizationGrant numberCountry
German Research Foundation (DFG)1325/17-1 Germany
German Research Foundation (DFG)TRR186 A21N Germany
CitationJournal: Nat Commun / Year: 2021
Title: Exchange catalysis by tapasin exploits conserved and allele-specific features of MHC-I molecules.
Authors: Lan, H. / Abualrous, E.T. / Sticht, J. / Fernandez, L.M.A. / Werk, T. / Weise, C. / Ballaschk, M. / Schmieder, P. / Loll, B. / Freund, C.
History
DepositionOct 7, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jun 16, 2021Provider: repository / Type: Initial release
Revision 1.1Jul 21, 2021Group: Data collection / Database references ...Data collection / Database references / Source and taxonomy / Structure summary
Category: citation / citation_author ...citation / citation_author / entity / entity_name_com / entity_src_gen / pdbx_entity_src_syn / reflns / reflns_shell / struct_ref / struct_ref_seq / struct_ref_seq_dif
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year / _entity.pdbx_description / _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id / _entity_src_gen.pdbx_host_org_scientific_name / _pdbx_entity_src_syn.ncbi_taxonomy_id / _pdbx_entity_src_syn.organism_common_name / _pdbx_entity_src_syn.organism_scientific / _reflns.number_obs / _reflns_shell.number_unique_obs / _struct_ref.db_code / _struct_ref.db_name / _struct_ref.pdbx_align_begin / _struct_ref.pdbx_db_accession / _struct_ref.pdbx_seq_one_letter_code / _struct_ref_seq.db_align_beg / _struct_ref_seq.db_align_end / _struct_ref_seq.pdbx_db_accession
Revision 2.0Nov 15, 2023Group: Atomic model / Data collection ...Atomic model / Data collection / Database references / Derived calculations
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / chem_comp_atom / chem_comp_bond / database_2 / pdbx_validate_torsion / struct_conn
Item: _atom_site.auth_atom_id / _atom_site.label_atom_id ..._atom_site.auth_atom_id / _atom_site.label_atom_id / _atom_site_anisotrop.pdbx_auth_atom_id / _atom_site_anisotrop.pdbx_label_atom_id / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr2_label_atom_id
Revision 2.1Jan 31, 2024Group: Refinement description / Category: pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Lymphocyte antigen HLA-B27
B: Beta-2-microglobulin
C: Vasoactive intestinal polypeptide receptor 1
D: Lymphocyte antigen HLA-B27
E: Beta-2-microglobulin
F: Vasoactive intestinal polypeptide receptor 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)96,25323
Polymers94,4096
Non-polymers1,84417
Water9,494527
1
A: Lymphocyte antigen HLA-B27
B: Beta-2-microglobulin
C: Vasoactive intestinal polypeptide receptor 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)48,17511
Polymers47,2043
Non-polymers9718
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area6600 Å2
ΔGint-16 kcal/mol
Surface area19240 Å2
MethodPISA
2
D: Lymphocyte antigen HLA-B27
E: Beta-2-microglobulin
F: Vasoactive intestinal polypeptide receptor 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)48,07712
Polymers47,2043
Non-polymers8739
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area6580 Å2
ΔGint-5 kcal/mol
Surface area19500 Å2
MethodPISA
Unit cell
Length a, b, c (Å)45.200, 69.610, 82.540
Angle α, β, γ (deg.)80.240, 88.362, 89.877
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z

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Components

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Protein , 2 types, 4 molecules ADBE

#1: Protein Lymphocyte antigen HLA-B27 / MHC class I antigen


Mass: 33871.273 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: HLA-B / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A2R7Z5J3
#2: Protein Beta-2-microglobulin / Beta-2 microglobulin


Mass: 11879.356 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: B2M, CDABP0092, HDCMA22P / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P61769

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Protein/peptide , 1 types, 2 molecules CF

#3: Protein/peptide Vasoactive intestinal polypeptide receptor 1 / VIP-R-1 / Pituitary adenylate cyclase-activating polypeptide type II receptor / PACAP type II ...VIP-R-1 / Pituitary adenylate cyclase-activating polypeptide type II receptor / PACAP type II receptor / PACAP-R-2 / PACAP-R2 / VPAC1


Mass: 1453.719 Da / Num. of mol.: 2 / Source method: obtained synthetically
Details: peptide derived from the vasoactive intestinal polypeptide receptor 1 modified at position 8 of the peptide
Source: (synth.) Homo sapiens (human) / References: UniProt: P32241

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Non-polymers , 6 types, 544 molecules

#4: Chemical
ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C3H8O3
#5: Chemical ChemComp-TRS / 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / TRIS BUFFER / Tris


Mass: 122.143 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C4H12NO3 / Comment: pH buffer*YM
#6: Chemical ChemComp-1PE / PENTAETHYLENE GLYCOL / PEG400 / Polyethylene glycol


Mass: 238.278 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C10H22O6 / Comment: precipitant*YM
#7: Chemical ChemComp-PGE / TRIETHYLENE GLYCOL / Polyethylene glycol


Mass: 150.173 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C6H14O4
#8: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER / Diethylene glycol


Mass: 106.120 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C4H10O3
#9: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 527 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestN

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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: 2.71 Å3/Da / Density % sol: 54.59 %
Crystal growTemperature: 291 K / Method: vapor diffusion, sitting drop / pH: 7.4
Details: 20% (w/v) polyethylene glycol 3350, and 200 mM KSCN

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: BESSY / Beamline: 14.1 / Wavelength: 0.91841 Å
DetectorType: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Nov 22, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.91841 Å / Relative weight: 1
ReflectionResolution: 1.8→50 Å / Num. obs: 89225 / % possible obs: 97.1 % / Redundancy: 3.7 % / Biso Wilson estimate: 25.52 Å2 / CC1/2: 0.99 / Rrim(I) all: 0.198 / Net I/σ(I): 5.4
Reflection shellResolution: 1.8→1.92 Å / Mean I/σ(I) obs: 1.06 / Num. unique obs: 15619 / CC1/2: 0.45 / Rrim(I) all: 1.619 / % possible all: 96.8

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Processing

Software
NameVersionClassification
PHENIX1.17.1_3660+SVNrefinement
XDSdata reduction
XSCALEdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 5IB5
Resolution: 1.8→40.66 Å / SU ML: 0.2669 / Cross valid method: FREE R-VALUE / σ(F): 1.92 / Phase error: 28.1879
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflection
Rfree0.2659 4452 4.99 %
Rwork0.2234 84749 -
obs0.2256 89201 97.07 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 34.24 Å2
Refinement stepCycle: LAST / Resolution: 1.8→40.66 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6374 0 121 527 7022
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00557016
X-RAY DIFFRACTIONf_angle_d1.04379539
X-RAY DIFFRACTIONf_chiral_restr0.0677947
X-RAY DIFFRACTIONf_plane_restr0.00722095
X-RAY DIFFRACTIONf_dihedral_angle_d21.38342654
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.8-1.820.39481400.382716X-RAY DIFFRACTION94.01
1.82-1.840.35791480.32082815X-RAY DIFFRACTION96.93
1.84-1.860.35441520.30592835X-RAY DIFFRACTION97.84
1.86-1.890.33141490.29732901X-RAY DIFFRACTION97.63
1.89-1.910.3241490.28272757X-RAY DIFFRACTION97.29
1.91-1.940.30181510.26412877X-RAY DIFFRACTION97.52
1.94-1.970.33311480.26382866X-RAY DIFFRACTION97.73
1.97-20.2781480.24672774X-RAY DIFFRACTION97.63
2-2.030.30911530.24062870X-RAY DIFFRACTION97.45
2.03-2.060.27331490.23482890X-RAY DIFFRACTION97.72
2.06-2.10.28871430.23372770X-RAY DIFFRACTION97.75
2.1-2.130.28721500.23462842X-RAY DIFFRACTION97.02
2.13-2.170.29661450.23092781X-RAY DIFFRACTION94.33
2.17-2.220.25521500.22052788X-RAY DIFFRACTION97.61
2.22-2.270.26631510.20992881X-RAY DIFFRACTION98
2.27-2.320.29611520.20992845X-RAY DIFFRACTION97.88
2.32-2.380.27041520.21332893X-RAY DIFFRACTION97.88
2.38-2.440.27841480.2142793X-RAY DIFFRACTION97.26
2.44-2.510.2731540.20612886X-RAY DIFFRACTION98
2.51-2.60.22461490.20292822X-RAY DIFFRACTION97.99
2.6-2.690.25141470.21272835X-RAY DIFFRACTION97.77
2.69-2.80.26231470.21292778X-RAY DIFFRACTION95.49
2.8-2.920.25461480.21372842X-RAY DIFFRACTION97.17
2.92-3.080.25541510.20762871X-RAY DIFFRACTION98.12
3.08-3.270.21461490.22382826X-RAY DIFFRACTION97.73
3.27-3.520.28571500.22662834X-RAY DIFFRACTION97.45
3.52-3.880.26071440.2072795X-RAY DIFFRACTION96.01
3.88-4.440.22481440.21422752X-RAY DIFFRACTION94.3
4.44-5.590.25871450.2092840X-RAY DIFFRACTION97.52
5.59-40.660.26551460.22522774X-RAY DIFFRACTION95.14
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)
12.502262579-0.03270530837380.6723041141651.92515426951-0.482326224540.877865488052-0.0283944015302-0.115550072038-0.0570514601823-0.0308585415408-0.0172990253325-0.165010247453-0.05711956960350.06756321399590.01270150465870.123319025013-0.01938285182810.03004378549990.1510331244250.01204322490450.244309732968-0.455570181023-4.9182907777127.4252974968
21.860506012590.1645666945960.02259466621662.9766369127-0.5634346654071.273595070480.1107853456790.2540389225410.0525625519103-0.412784382395-0.1480161261820.09553516806950.005868413618270.1330019477140.0008780060367290.2173164020630.000175021847384-0.01015051483890.2183158135990.02577245716880.19054824446-6.159086586692.9202600361313.7740132371
30.7669462827321.12010037229-0.007767805196553.28847276317-0.0791654563883-0.257215071774-0.1470181657580.1298529105890.0221951443084-0.6967395001420.174626290028-0.307167136190.08520636806750.0675741825213-0.01395411678240.399835187955-0.007216846607850.0584524755280.253042426554-0.01756239154640.376414144710.457110478428-34.472435201915.6649890833
43.6351586641-1.42612655429-0.1029032245924.0592250726-1.235789199183.69650368037-0.1408811984660.2161807987380.06803844362530.1244560997120.2879698463210.161604297472-0.0437431408018-0.322990276185-0.1868665396560.120962784219-0.04260531091450.007668069511850.1436064986840.01949101534550.242581625473-12.9077301695-23.35876023427.1027464705
50.71572263854-1.03761023837-0.1375761709633.27068503275-1.268222388751.50150087112-0.2588543314-0.406030670761-0.3823255441980.0645552443875-0.113106365189-0.636458919650.5839647679640.9040829157910.1462444248730.1703809913140.2878892908730.1061960117990.1838782897510.09040024769360.5493527532564.52633523642-39.99285140634.1541477874
62.32719162319-1.548731652590.2154453472665.59392171492-2.92108721123.78985673857-0.03784360845060.001588776631910.04094893748370.340402534299-0.109657151436-0.391624814748-0.1947455956710.1516082821240.1497805083970.2237609597120.01549760394160.00195131203430.172696044825-0.01593251673060.262328220977-3.73843318797-27.644571747531.9354813458
71.79683967717-1.844626284381.168651507838.82029055475-6.245330758286.59660029885-0.128925396144-0.1713744097210.3967125163970.8353038477210.2889305009960.315342838366-0.563692692938-0.276092965687-0.1876168964220.2450645904920.01470011608890.02303419954350.223887012403-0.04431482941780.370112643428-11.2258262535-21.957797958437.0814681721
84.011283430281.14364465546-0.06213688859286.68558245894-0.06825600300864.96960851189-0.163527055039-1.137105144150.2993958862551.280307327740.0170317372223-0.0302502956261-0.143812597984-0.516095083673-0.06425711890780.3076122036230.0782583037965-0.03216004600650.285446077034-0.0240848078770.351346577705-8.95972924289-32.129650223446.3118758562
93.288776003573.78251473813-3.237013462916.37564244498-4.814219088583.76186837209-0.0733932815823-0.6898184000420.1668895263471.23697213013-0.165881144211-0.797065080291-0.3548289630090.5787019117960.2428085459430.5304911854640.0317945726542-0.1647216139660.252617332086-0.01284563489360.361813950439-1.10646437505-23.921550922242.3908372422
101.51777343659-0.559113829321-0.1624740107754.39735253944-3.031329084763.683895546550.0366585038604-0.0429554045408-0.0009876598015060.1187132213680.1214250864470.008304933168760.01217313609910.0483347484160.1206123669160.1528295322060.00612917084323-0.003609698734180.160170693742-0.01128935078340.341462127861-3.65113896178-20.65674251129.7485083388
112.367421274520.03513601441310.1332852203842.50768583688-0.9812631618233.587869416650.00581259869779-0.305526171362-0.5132467717160.1469261018920.3321998179650.6065136722260.378625326638-0.497572541313-0.120246544650.245038911971-0.04140285476970.01818928080430.2688035763010.02338572303250.557346362314-12.7522703032-31.116983019338.2650498237
126.02277553357-1.32223749716-0.5337606065024.578830081550.07282093582154.525271848080.06428930005890.396573070805-0.733121644222-0.5582954663020.440196076484-0.1605473307520.83885255701-0.08385578644150.2051317506370.297010557293-0.08477713332580.04040234403570.1279668092740.09674043127850.22092229728-9.59464723136-37.28109567132.1778463873
135.61050377681-5.78115417924-1.178850333425.906896623871.396145396771.849805640230.5388584024770.07396501223061.50309533049-0.636393765344-0.0896794377876-0.831200816479-0.751421204111-0.329176954592-0.3732249347930.3024311271550.03182388973980.1232817038350.4534192318650.06077905063560.4761182583681.974194558944.4561729663723.979569144
141.99060507575-0.247948414157-0.2506790549561.69829036662-0.4238478629461.16950299366-0.0298310667580.02404562019310.08217833955130.143614931847-0.0262554125483-0.0171660905927-0.003727975770570.05438745375020.05296413739570.1191679482310.0052314882957-0.01556366437770.132824939751-0.02565509189550.188346337993-1.85209013357-42.532482351668.1025376494
15-0.00362809342869-0.961004024353-0.179001818231.94020133325-0.338278075459-0.306761567302-0.225267607648-0.1166196207970.2341459629730.9488116479790.149274982387-0.482334980963-0.1771179540370.08725984135510.009561462907970.5870284570860.0203129670829-0.1799708929760.288141963606-0.06228496761890.5536944136111.04990879267-11.511855659475.9508131574
164.257970235131.675058471030.06886243267734.69529534883-1.268846308134.506614652180.170162496730.173716877607-0.2072204403520.1801181284880.1422713616610.456472189974-0.0508243333543-0.146607047709-0.1182188993320.183005086180.0403500212352-0.03276565498260.1593074387270.02142809469610.351673243403-11.6597823352-20.550095199463.923960017
171.583592956340.134156392896-0.5022946111812.45709969153-1.557799405253.53391646543-0.1399214693640.154537123399-0.108261378380.000997993505570.0768326228354-0.398140996117-0.1342286231780.180725721414-0.03475025861780.163080890075-0.0366743613721-0.02588280705970.190161290554-0.003724527088680.330574134547-4.62566821106-15.864440268255.5838212329
182.081440917651.11486266477-0.625374536724.60793827816-2.727194149084.430996681420.0004828237487090.004519097397840.125851810621-0.337682240357-0.166731041598-0.1743104635990.1306862216080.3556562276740.1327954564430.200644174587-0.01085413416970.0005081612858950.184242105240.0163273671540.346253845145-2.91147357467-24.042102861859.0257122722
192.634157052131.09567920764-0.2670590737242.73335134861-0.5778966897623.451824048570.0399157994260.0918791928340.0927848843529-0.02688767932130.1743407044030.310681112433-0.553266216134-0.317534190078-0.06370374819420.2136270313710.0438672439545-0.02431397610320.2038153337560.07825703115230.410674150269-11.8448917448-12.008147620155.9076160037
207.260466703126.723862978580.2456354714566.180311512450.1051523052372.535112677560.3569917300390.0508764635162-1.527386898930.5572745401630.133928744727-0.7350310951070.635250703297-0.281394339544-0.4137554152190.3279001042510.0150740040325-0.1246718823450.3663999618370.02078801323210.464575660781.92840063692-49.954747733967.5065937187
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 118 )
2X-RAY DIFFRACTION2chain 'A' and (resid 119 through 162 )
3X-RAY DIFFRACTION3chain 'A' and (resid 163 through 276 )
4X-RAY DIFFRACTION4chain 'B' and (resid 1 through 11 )
5X-RAY DIFFRACTION5chain 'B' and (resid 12 through 19 )
6X-RAY DIFFRACTION6chain 'B' and (resid 20 through 30 )
7X-RAY DIFFRACTION7chain 'B' and (resid 31 through 41 )
8X-RAY DIFFRACTION8chain 'B' and (resid 42 through 46 )
9X-RAY DIFFRACTION9chain 'B' and (resid 47 through 51 )
10X-RAY DIFFRACTION10chain 'B' and (resid 52 through 71 )
11X-RAY DIFFRACTION11chain 'B' and (resid 72 through 90 )
12X-RAY DIFFRACTION12chain 'B' and (resid 91 through 99 )
13X-RAY DIFFRACTION13chain 'C' and (resid 1 through 9 )
14X-RAY DIFFRACTION14chain 'D' and (resid 1 through 162 )
15X-RAY DIFFRACTION15chain 'D' and (resid 163 through 276 )
16X-RAY DIFFRACTION16chain 'E' and (resid 1 through 11 )
17X-RAY DIFFRACTION17chain 'E' and (resid 12 through 46 )
18X-RAY DIFFRACTION18chain 'E' and (resid 47 through 71 )
19X-RAY DIFFRACTION19chain 'E' and (resid 72 through 99 )
20X-RAY DIFFRACTION20chain 'F' and (resid 1 through 9 )

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