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- PDB-6bqt: Complex of 14-3-3 theta with an IRSp53 peptide doubly-phosphoryla... -

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Basic information

Entry
Database: PDB / ID: 6bqt
TitleComplex of 14-3-3 theta with an IRSp53 peptide doubly-phosphorylated at T340 and T360
Components
  • 14-3-3 protein theta
  • Insulin receptor substrate protein of 53 kDa, peptide (IRSp53)
KeywordsSIGNALING PROTEIN / phosphate binding protein / protein complex / cytoskeleton regulation / cell motility
Function / homology
Function and homology information


dendritic spine cytoplasm / modification of synaptic structure, modulating synaptic transmission / neuron projection branch point / regulation of modification of postsynaptic actin cytoskeleton / plasma membrane organization / positive regulation of dendritic spine morphogenesis / cellular response to L-glutamate / actin crosslink formation / cytoskeletal anchor activity / protein localization to synapse ...dendritic spine cytoplasm / modification of synaptic structure, modulating synaptic transmission / neuron projection branch point / regulation of modification of postsynaptic actin cytoskeleton / plasma membrane organization / positive regulation of dendritic spine morphogenesis / cellular response to L-glutamate / actin crosslink formation / cytoskeletal anchor activity / protein localization to synapse / cadherin binding involved in cell-cell adhesion / presynaptic cytosol / neuron projection terminus / proline-rich region binding / postsynaptic cytosol / dendrite development / small GTPase mediated signal transduction / postsynaptic density, intracellular component / positive regulation of actin filament polymerization / positive regulation of actin cytoskeleton reorganization / Regulation of localization of FOXO transcription factors / CDC42 GTPase cycle / actin filament bundle assembly / excitatory synapse / protein targeting / Activation of BAD and translocation to mitochondria / RAC3 GTPase cycle / RHO GTPases Activate WASPs and WAVEs / positive regulation of excitatory postsynaptic potential / Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex / RHO GTPases activate PKNs / regulation of actin cytoskeleton organization / substantia nigra development / cellular response to epidermal growth factor stimulus / RAC1 GTPase cycle / axonogenesis / dendritic shaft / ruffle / synaptic membrane / protein localization => GO:0008104 / filopodium / Translocation of SLC2A4 (GLUT4) to the plasma membrane / Schaffer collateral - CA1 synapse / secretory granule / response to bacterium / PDZ domain binding / transcription coregulator binding / rough endoplasmic reticulum / TP53 Regulates Metabolic Genes / regulation of synaptic plasticity / adherens junction / FCGR3A-mediated phagocytosis / insulin receptor signaling pathway / VEGFA-VEGFR2 Pathway / Regulation of actin dynamics for phagocytic cup formation / lamellipodium / scaffold protein binding / brain development / regulation of cell shape / protein N-terminus binding / microtubule / protein C-terminus binding / glutamatergic synapse / focal adhesion / protein domain specific binding / neuronal cell body / negative regulation of DNA-templated transcription / Golgi apparatus / signal transduction / protein-containing complex / extracellular exosome / membrane / nucleoplasm / identical protein binding / plasma membrane / cytosol / cytoplasm
Similarity search - Function
14-3-3 theta / IRSp53, SH3 domain / I-BAR domain containing protein IRSp53 / I-BAR domain containing protein IRSp53/IRTKS/Pinkbar / IMD domain profile. / IRSp53/MIM homology domain / IMD/I-BAR domain / 14-3-3 domain / AH/BAR domain superfamily / Delta-Endotoxin; domain 1 ...14-3-3 theta / IRSp53, SH3 domain / I-BAR domain containing protein IRSp53 / I-BAR domain containing protein IRSp53/IRTKS/Pinkbar / IMD domain profile. / IRSp53/MIM homology domain / IMD/I-BAR domain / 14-3-3 domain / AH/BAR domain superfamily / Delta-Endotoxin; domain 1 / Variant SH3 domain / 14-3-3 proteins signature 2. / 14-3-3 protein, conserved site / 14-3-3 proteins signature 1. / 14-3-3 protein / 14-3-3 homologues / 14-3-3 protein / 14-3-3 domain / 14-3-3 domain superfamily / Src homology 3 domains / SH3-like domain superfamily / Src homology 3 (SH3) domain profile. / SH3 domain / Up-down Bundle / Mainly Alpha
Similarity search - Domain/homology
14-3-3 protein theta / DI(HYDROXYETHYL)ETHER / TRIETHYLENE GLYCOL / Brain-specific angiogenesis inhibitor 1-associated protein 2
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.8 Å
AuthorsKast, D.J. / Dominguez, R.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of Mental Health (NIH/NIMH)R01 MH087950 United States
CitationJournal: Nat Commun / Year: 2019
Title: Mechanism of IRSp53 inhibition by 14-3-3.
Authors: Kast, D.J. / Dominguez, R.
History
DepositionNov 28, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Dec 5, 2018Provider: repository / Type: Initial release
Revision 1.1Jun 19, 2019Group: Data collection / Database references / Category: citation / citation_author
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 / _citation_author.identifier_ORCID
Revision 1.2Nov 27, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: 14-3-3 protein theta
B: 14-3-3 protein theta
C: Insulin receptor substrate protein of 53 kDa, peptide (IRSp53)
D: 14-3-3 protein theta
E: 14-3-3 protein theta
F: Insulin receptor substrate protein of 53 kDa, peptide (IRSp53)
G: 14-3-3 protein theta
H: 14-3-3 protein theta
I: Insulin receptor substrate protein of 53 kDa, peptide (IRSp53)
J: 14-3-3 protein theta
K: 14-3-3 protein theta
L: Insulin receptor substrate protein of 53 kDa, peptide (IRSp53)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)240,31129
Polymers237,14112
Non-polymers3,17017
Water1,67593
1
A: 14-3-3 protein theta
B: 14-3-3 protein theta
C: Insulin receptor substrate protein of 53 kDa, peptide (IRSp53)
hetero molecules


  • defined by author&software
  • Evidence: light scattering, The assembly has a determined mass of 60 kDa, consistent with the theoretical mass of a single 14-3-3 dimer bound to one doubly-phosphorylated IRSp53 peptides., isothermal ...Evidence: light scattering, The assembly has a determined mass of 60 kDa, consistent with the theoretical mass of a single 14-3-3 dimer bound to one doubly-phosphorylated IRSp53 peptides., isothermal titration calorimetry, Stoichiometry determined from ITC is consistent with one 14-3-3 dimer binding to one doubly-phosphorylated IRSp53 peptide.
  • 60.7 kDa, 3 polymers
  • Search similar-shape structures of this assembly by Omokage search (details)
Theoretical massNumber of molelcules
Total (without water)60,70310
Polymers59,2853
Non-polymers1,4187
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7290 Å2
ΔGint-28 kcal/mol
Surface area22700 Å2
MethodPISA
2
D: 14-3-3 protein theta
E: 14-3-3 protein theta
F: Insulin receptor substrate protein of 53 kDa, peptide (IRSp53)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)59,9928
Polymers59,2853
Non-polymers7075
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area6370 Å2
ΔGint-13 kcal/mol
Surface area23880 Å2
MethodPISA
3
G: 14-3-3 protein theta
H: 14-3-3 protein theta
I: Insulin receptor substrate protein of 53 kDa, peptide (IRSp53)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)59,8546
Polymers59,2853
Non-polymers5693
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area6140 Å2
ΔGint-28 kcal/mol
Surface area23090 Å2
MethodPISA
4
J: 14-3-3 protein theta
K: 14-3-3 protein theta
L: Insulin receptor substrate protein of 53 kDa, peptide (IRSp53)
hetero molecules


Theoretical massNumber of molelcules
Total (without water)59,7625
Polymers59,2853
Non-polymers4772
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area5600 Å2
ΔGint-30 kcal/mol
Surface area23040 Å2
MethodPISA
Unit cell
Length a, b, c (Å)61.103, 69.572, 150.473
Angle α, β, γ (deg.)99.160, 92.980, 115.980
Int Tables number1
Space group name H-MP1

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Components

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Protein / Protein/peptide , 2 types, 12 molecules ABDEGHJKCFIL

#1: Protein
14-3-3 protein theta / 14-3-3 protein T-cell / 14-3-3 protein tau / Protein HS1


Mass: 27795.234 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: YWHAQ / Plasmid: pTYB11 / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: P27348
#2: Protein/peptide
Insulin receptor substrate protein of 53 kDa, peptide (IRSp53) / / Protein BAP2 / Fas ligand-associated factor 3 / FLAF3 / Insulin receptor substrate p53/p58 / ...Protein BAP2 / Fas ligand-associated factor 3 / FLAF3 / Insulin receptor substrate p53/p58 / IRSp53/58 / Insulin receptor substrate protein of 53 kDa / Insulin receptor substrate p53


Mass: 3694.822 Da / Num. of mol.: 4 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: Q9UQB8

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Non-polymers , 8 types, 110 molecules

#3: Chemical ChemComp-PE4 / 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL / POLYETHYLENE GLYCOL PEG4000 / Polyethylene glycol


Mass: 354.436 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C16H34O8 / Comment: precipitant*YM
#4: Chemical
ChemComp-1PE / PENTAETHYLENE GLYCOL / PEG400 / Polyethylene glycol


Mass: 238.278 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C10H22O6 / Comment: precipitant*YM
#5: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C2H6O2
#6: Chemical ChemComp-PG4 / TETRAETHYLENE GLYCOL / Polyethylene glycol


Mass: 194.226 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C8H18O5 / Comment: precipitant*YM
#7: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL / Glycerol


Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C3H8O3
#8: Chemical ChemComp-PGE / TRIETHYLENE GLYCOL / Polyethylene glycol


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


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


Mass: 18.015 Da / Num. of mol.: 93 / Source method: isolated from a natural source / Formula: H2O

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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: 2.37 Å3/Da / Density % sol: 48.13 %
Crystal growTemperature: 291.15 K / Method: vapor diffusion, hanging drop / pH: 7 / Details: 0.1 M CaCl2, 13% Peg 3350

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SEALED TUBE / Type: BRUKER IMUS MICROFOCUS / Wavelength: 1.54 Å
DetectorType: APEX II CCD / Detector: CCD / Date: Jul 29, 2015 / Details: Quazar MX optics
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.54 Å / Relative weight: 1
ReflectionResolution: 2.8→49 Å / Num. obs: 51911 / % possible obs: 96.7 % / Redundancy: 4.8 % / Biso Wilson estimate: 30.91 Å2 / CC1/2: 0.975 / Rmerge(I) obs: 0.142 / Net I/σ(I): 20.5
Reflection shellResolution: 2.8→2.9 Å / Redundancy: 2.1 % / Rmerge(I) obs: 0.293 / Mean I/σ(I) obs: 2.5 / Num. unique obs: 5197 / CC1/2: 0.717 / % possible all: 95.7

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
PHENIX1.12_2829refinement
PROTEUM2data collection
PROTEUM2data processing
SAINTdata scaling
PHASERphasing
PDB_EXTRACT3.22data extraction
PROTEUM2data reduction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2BR9
Resolution: 2.8→42.983 Å / SU ML: 0.41 / Cross valid method: THROUGHOUT / σ(F): 1.96 / Phase error: 29.42
RfactorNum. reflection% reflection
Rfree0.2867 1997 3.88 %
Rwork0.234 --
obs0.236 51490 95.98 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 130.01 Å2 / Biso mean: 41.892 Å2 / Biso min: 1.15 Å2
Refinement stepCycle: final / Resolution: 2.8→42.983 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms15278 0 492 93 15863
Biso mean--51.91 18.45 -
Num. residues----1899
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00315766
X-RAY DIFFRACTIONf_angle_d0.54821193
X-RAY DIFFRACTIONf_chiral_restr0.0322393
X-RAY DIFFRACTIONf_plane_restr0.0032690
X-RAY DIFFRACTIONf_dihedral_angle_d17.1859806
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 14

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.8-2.870.31331400.25883516365696
2.87-2.94760.35871390.26063561370096
2.9476-3.03430.34461500.27913568371896
3.0343-3.13230.31931440.26813545368997
3.1323-3.24420.31981470.25873566371397
3.2442-3.3740.34851490.26623562371196
3.374-3.52750.30111310.27673406353793
3.5275-3.71340.30151370.27693352348991
3.7134-3.94590.30991440.25063442358694
3.9459-4.25030.27461360.21443573370997
4.2503-4.67760.24891440.2083536368095
4.6776-5.35330.24721450.18833631377699
5.3533-6.74040.2551490.2153634378399
6.7404-42.98770.21081420.16963601374398
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)
10.89210.50680.09670.76340.1640.9772-0.0876-0.0178-0.11770.15230.1003-0.0452-0.0721-0.00670.01330.1621-0.0403-0.08310.14380.02820.2275-9.714-6.78056.2378
20.86550.07360.03980.17630.05220.3886-0.0173-0.1468-0.1330.02530.03390.01240.0898-0.14470.10340.159-0.08260.06970.19930.03650.0597-16.2713-20.69231.7931
31.3537-0.1117-0.21981.78980.16981.4999-0.04560.34480.1534-0.38140.0529-0.2864-0.29610.00020.04730.161-0.0263-0.00720.15630.04240.1714-12.6235-20.0143-14.1108
42.8597-0.3495-0.11311.7159-0.49781.93790.075-0.1526-0.17760.22-0.0232-0.19420.10150.2362-0.08740.2373-0.0011-0.17730.26150.07710.529414.9953-4.99913.66
50.33860.0864-0.00140.8417-0.09120.50670.0104-0.01880.06690.0884-0.0378-0.0529-0.12740.06120.03730.1924-0.0291-0.07240.07530.07460.217912.50392.52513.4468
64.5662-0.90571.69071.5046-0.49282.19840.05290.23930.1269-0.1234-0.02-0.13190.0533-0.0217-0.02590.1807-0.01450.02830.1148-0.0220.24834.62510.24222.6127
71.92650.19260.72721.44120.22851.726-0.0547-0.01330.1647-0.1051-0.03740.3733-0.1034-0.251-0.02030.18-0.05640.0760.11450.02990.2789-4.489716.56517.4715
80.68470.7423-0.07080.99920.39871.1830.0877-0.0830.05980.03510.038-0.0185-0.00870.2368-0.00850.1381-0.0798-0.09580.18960.05410.243415.332417.28768.2661
93.8956-1.70460.21962.44750.03961.73430.0832-0.07790.37060.1196-0.00310.0135-0.11950.1198-0.05170.1194-0.0242-0.0220.0607-0.03320.163116.346526.0024.5549
100.70510.4425-0.01781.4964-0.15361.7083-0.14940.20660.0449-0.12910.16950.08080.19410.1803-0.01680.1346-0.0122-0.00810.13760.00660.184721.604419.6317-7.5672
116.846-3.01211.27563.6204-0.20861.89190.03570.0492-0.1284-0.1203-0.06210.01520.19210.08350.01280.19620.0244-0.02430.1934-0.04480.240519.783411.3979-11.6151
127.40430.90371.81523.4345-0.71446.6852-0.03720.03370.0727-0.05550.13060.415-0.0572-0.3772-0.12730.115-0.0947-0.01660.23530.06160.33089.907513.3333-5.5928
130.51560.86970.50672.36940.84850.5043-0.0445-0.0571-0.10080.3877-0.1573-0.16340.0424-0.02590.07050.5593-0.1094-0.07560.35730.08410.6134.2544-4.8197-3.7255
141.65370.1885-0.66912.2037-0.46490.33990.0204-0.03340.1394-0.12890.0233-0.0625-0.27180.1423-0.10180.4601-0.01760.00910.3891-0.17330.1672-7.2669-10.5517-6.6523
151.4592-0.1551-0.04431.07490.12711.2597-0.00510.1633-0.00630.05280.06070.1330.0960.0435-0.00130.11160.0467-0.02780.17620.03270.176425.80588.333528.8849
161.3944-0.3499-0.01930.995-0.12160.8729-0.01550.0923-0.1795-0.0385-0.0067-0.040.07180.1771-0.07440.0870.0945-0.01690.1747-0.05430.133537.8029-3.734330.3574
172.17440.42290.21371.5908-0.0571.5496-0.141-0.11020.0180.180.0923-0.0187-0.0110.2054-0.00330.13560.07240.02010.1687-0.01380.091341.8746-3.196344.0747
183.37161.5824-0.71833.1178-0.80421.71230.0705-0.15290.22230.09980.0119-0.2773-0.22040.2918-0.00930.23870.02940.05150.28720.03890.192645.03846.470548.1469
196.55720.89391.16811.62570.17811.8134-0.078-0.0701-0.29230.1492-0.01240.53540.0831-0.4480.05730.2898-0.04040.20050.2816-0.05750.4623.07710.18135.9322
202.43960.36480.33021.4385-0.271.37290.00750.04630.10310.04080.02120.1104-0.0002-0.12670.01640.1599-0.05910.01170.18940.020.43613.758517.602132.1685
212.33480.3804-0.46541.3664-0.16261.4396-0.10260.00570.2447-0.007-0.005-0.095-0.05840.1412-0.260.110.06970.08030.225-0.00470.240820.620428.388432.1067
223.6456-0.1949-1.46290.7944-0.04171.30290.15120.1249-0.0124-0.1225-0.00320.1257-0.036-0.072-0.08310.2612-0.0039-0.09460.154-0.02190.220117.17829.9223.8014
232.65650.0298-0.41761.80760.52471.9389-0.00770.11670.0245-0.0366-0.00010.09760.0876-0.26060.0340.1182-0.00110.08520.23830.08070.20953.829233.071534.4022
245.21340.8792-2.2022.6776-0.65663.14890.10130.26020.2024-0.15530.1040.1256-0.1713-0.1539-0.1270.22320.1144-0.01890.25070.06260.24134.584942.293235.4904
251.2878-0.783-0.58871.4738-0.04052.92050.11220.00470.00310.09420.0232-0.011-0.0652-0.0268-0.12590.1556-0.01060.00620.1571-0.0110.16248.942739.37144.6771
261.56480.5203-1.37091.8505-0.72323.0980.0561-0.08220.08570.07430.0721-0.0684-0.09220.0815-0.14130.30930.08430.05370.2633-0.07950.169710.453343.930952.3979
278.88412.82711.9741.01060.23334.08110.04040.29110.0229-0.3750.0935-0.2086-0.1725-0.0252-0.0970.975-0.01120.37790.99210.00270.9873-0.055932.282961.1068
285.49652.1604-1.46863.5615-0.96953.45310.0839-0.1411-0.40750.16120.0376-0.01290.2126-0.0903-0.07810.43740.089-0.04490.2783-0.00130.263913.443133.621153.5979
294.8499-1.6639-0.01896.0551-0.93572.5038-0.0654-0.13040.03020.10720.09980.482-0.1182-0.1885-0.09470.2640.1961-0.10750.3169-0.09950.264932.14584.477343.1288
302.2807-2.0084-0.72351.79990.64330.23050.19640.08770.0559-0.25880.00550.0412-0.0705-0.1122-0.05150.5564-0.0172-0.09560.54450.05790.503126.759822.270840.2397
310.0429-0.0234-0.19212.127-0.1680.896-0.0242-0.0875-0.32140.1480.011-0.23980.31890.2128-0.03220.4110.2417-0.04650.35180.05470.607815.338528.139543.2473
321.8799-1.33420.59312.1192-0.39470.2097-0.01390.0047-0.0271-0.15070.102-0.54410.11190.4688-0.07920.3061-0.1037-0.03730.4708-0.01880.629448.206611.7385-35.2423
330.70220.1115-0.39311.10560.7970.9195-0.06380.0504-0.0237-0.0506-0.0235-0.1030.04990.0815-0.08410.3358-0.12910.11540.28510.12710.35341.008411.858-40.4638
343.4233-3.5554-3.71643.78943.92294.0758-0.20880.2131-0.4113-0.2887-0.0182-0.00220.46990.04770.21820.280.06540.07440.4591-0.04380.370644.8732-1.5006-37.0566
351.8987-0.87350.10631.7896-0.27841.2527-0.1635-0.12170.1089-0.26710.150.1896-0.2389-0.13170.00330.2104-0.0681-0.11770.26420.07210.239126.478912.8079-40.2705
363.30871.742.41850.91641.27821.794-0.13230.2250.2704-0.29260.13720.1771-0.15790.07740.06050.6896-0.022-0.23590.51070.04020.61298.235325.5633-57.4744
371.1995-0.19480.02621.6848-0.41390.9053-0.13120.3528-0.0323-0.30810.01020.09240.12130.08160.01220.41010.00630.0180.2735-0.02020.117727.82234.2932-44.3789
381.6466-0.43230.94771.3112-0.08252.25510.06360.1015-0.0219-0.27810.00520.07840.1158-0.04960.01860.3995-0.0145-0.04590.2285-0.06910.107621.5609-6.312-38.1787
391.68480.7364-0.3661.35020.51051.3717-0.02370.0284-0.0306-0.1895-0.13840.1055-0.05720.03090.03850.2146-0.0595-0.05570.13640.03120.141920.2088-0.6631-29.4526
402.39250.09622.73650.12240.14073.65420.1687-0.078-0.1011-0.0360.04030.0150.2211-0.0663-0.24520.4276-0.172-0.07320.24840.04870.316215.5111-1.8832-21.8206
412.72870.97780.2851.7149-0.07462.24750.0581-0.12770.04380.03520.2593-0.04790.12650.1056-0.16160.3116-0.01440.0120.2342-0.08550.24423.37834.9936-18.7517
421.24690.1412-0.0281.2076-0.13581.04650.12080.0763-0.2677-0.55160.1507-0.0015-0.24180.082-0.12970.5096-0.05840.00430.1896-0.0140.274636.547831.9963-45.8935
431.5203-0.1903-0.63291.30940.35711.86750.07060.18650.08310.0157-0.2032-0.2472-0.0874-0.2505-0.01180.4115-0.15380.06840.18930.00450.305335.265348.879-35.1744
440.48480.48420.09932.6643-0.25650.07920.1655-0.23970.17810.01930.13930.1622-0.21150.05230.09060.5098-0.14870.12440.3309-0.00430.199128.048924.1563-32.4322
451.44310.04220.26191.95550.38320.7410.0114-0.0726-0.12980.16490.0774-0.3369-0.03150.17430.0180.3307-0.04620.0190.32320.10490.3565.666136.8626-71.3063
460.8780.184-0.64760.7132-0.27331.5380.0928-0.2018-0.05870.2878-0.22660.17170.0289-0.0266-0.04840.58690.05840.21450.366-0.02410.2443-8.353134.4854-58.2695
471.78060.13340.79652.15290.34881.4669-0.12530.10930.14790.0352-0.1275-0.1587-0.20550.18420.07330.2653-0.0508-0.00960.14660.04220.1961-0.802149.3828-71.7042
481.4460.5795-1.15951.1361-0.80681.992-0.0041-0.0592-0.04650.24240.01180.1494-0.0673-0.0001-0.1790.4470.04080.20440.2847-0.04720.1025-9.116954.3776-71.7724
490.3658-0.14320.11990.81130.43091.1332-0.02230.0011-0.02960.0128-0.09470.07010.05-0.0945-0.21780.35730.06730.14830.2112-0.05660.1107-9.909148.6514-80.8867
501.0655-0.9174-0.22091.95580.45812.2441-0.07810.3486-0.0514-0.32510.0693-0.11770.00420.04150.01370.20440.02330.06650.30620.0150.1279-11.040850.2207-91.1498
514.41530.2645-2.31041.8451-0.09283.14840.01460.3114-0.1164-0.2143-0.066-0.08910.06730.04210.01840.46540.0866-0.0250.2998-0.1090.1956-8.715641.2106-89.7025
521.1868-0.0362-0.32881.4815-0.12191.97280.0329-0.1395-0.16810.27330.08560.08860.2346-0.082-0.06990.56460.01050.09330.27330.09490.3759-0.014515.7397-63.1001
533.09622.7957-0.17792.5253-0.1540.0483-0.00650.3081-0.6418-0.431-0.0051.10790.1032-0.89410.00881.5674-0.0277-0.03631.5938-0.05741.681127.506227.1544-84.654
541.15570.19060.24180.97140.37771.019-0.1602-0.09910.13860.17810.083-0.46440.06430.28180.14170.50010.1339-0.13380.3817-0.00610.496513.886915.233-64.3407
551.2943-0.05620.03561.65750.07941.7676-0.0766-0.1129-0.07150.12910.0185-0.00390.1001-0.21230.01010.33990.1016-0.00240.2438-0.02420.24573.6523-0.9581-75.0467
560.3327-1.16740.12714.091-0.44740.0512-0.02180.04870.02110.14210.12730.03350.31020.111-0.01770.30870.0965-0.02410.40780.0060.4594-2.553123.8725-77.8761
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 1 through 111 )A1 - 111
2X-RAY DIFFRACTION2chain 'A' and (resid 112 through 159 )A112 - 159
3X-RAY DIFFRACTION3chain 'A' and (resid 160 through 230 )A160 - 230
4X-RAY DIFFRACTION4chain 'B' and (resid 1 through 15 )B1 - 15
5X-RAY DIFFRACTION5chain 'B' and (resid 16 through 37 )B16 - 37
6X-RAY DIFFRACTION6chain 'B' and (resid 38 through 67 )B38 - 67
7X-RAY DIFFRACTION7chain 'B' and (resid 68 through 103 )B68 - 103
8X-RAY DIFFRACTION8chain 'B' and (resid 104 through 135 )B104 - 135
9X-RAY DIFFRACTION9chain 'B' and (resid 136 through 159 )B136 - 159
10X-RAY DIFFRACTION10chain 'B' and (resid 160 through 207 )B160 - 207
11X-RAY DIFFRACTION11chain 'B' and (resid 208 through 230 )B208 - 230
12X-RAY DIFFRACTION12chain 'C' and (resid 337 through 342 )C337 - 342
13X-RAY DIFFRACTION13chain 'C' and (resid 343 through 358 )C343 - 358
14X-RAY DIFFRACTION14chain 'C' and (resid 359 through 365 )C359 - 365
15X-RAY DIFFRACTION15chain 'D' and (resid 1 through 103 )D1 - 103
16X-RAY DIFFRACTION16chain 'D' and (resid 104 through 159 )D104 - 159
17X-RAY DIFFRACTION17chain 'D' and (resid 160 through 201 )D160 - 201
18X-RAY DIFFRACTION18chain 'D' and (resid 202 through 230 )D202 - 230
19X-RAY DIFFRACTION19chain 'E' and (resid 1 through 16 )E1 - 16
20X-RAY DIFFRACTION20chain 'E' and (resid 17 through 37 )E17 - 37
21X-RAY DIFFRACTION21chain 'E' and (resid 38 through 75 )E38 - 75
22X-RAY DIFFRACTION22chain 'E' and (resid 76 through 103 )E76 - 103
23X-RAY DIFFRACTION23chain 'E' and (resid 104 through 135 )E104 - 135
24X-RAY DIFFRACTION24chain 'E' and (resid 136 through 159 )E136 - 159
25X-RAY DIFFRACTION25chain 'E' and (resid 160 through 184 )E160 - 184
26X-RAY DIFFRACTION26chain 'E' and (resid 185 through 201 )E185 - 201
27X-RAY DIFFRACTION27chain 'E' and (resid 202 through 207 )E202 - 207
28X-RAY DIFFRACTION28chain 'E' and (resid 208 through 230 )E208 - 230
29X-RAY DIFFRACTION29chain 'F' and (resid 337 through 342 )F337 - 342
30X-RAY DIFFRACTION30chain 'F' and (resid 343 through 358 )F343 - 358
31X-RAY DIFFRACTION31chain 'F' and (resid 359 through 365 )F359 - 365
32X-RAY DIFFRACTION32chain 'G' and (resid 1 through 15 )G1 - 15
33X-RAY DIFFRACTION33chain 'G' and (resid 16 through 31 )G16 - 31
34X-RAY DIFFRACTION34chain 'G' and (resid 32 through 37 )G32 - 37
35X-RAY DIFFRACTION35chain 'G' and (resid 38 through 68 )G38 - 68
36X-RAY DIFFRACTION36chain 'G' and (resid 69 through 75 )G69 - 75
37X-RAY DIFFRACTION37chain 'G' and (resid 76 through 135 )G76 - 135
38X-RAY DIFFRACTION38chain 'G' and (resid 136 through 159 )G136 - 159
39X-RAY DIFFRACTION39chain 'G' and (resid 160 through 184 )G160 - 184
40X-RAY DIFFRACTION40chain 'G' and (resid 185 through 201 )G185 - 201
41X-RAY DIFFRACTION41chain 'G' and (resid 202 through 230 )G202 - 230
42X-RAY DIFFRACTION42chain 'H' and (resid 1 through 111 )H1 - 111
43X-RAY DIFFRACTION43chain 'H' and (resid 112 through 230 )H112 - 230
44X-RAY DIFFRACTION44chain 'I' and (resid 337 through 364 )I337 - 364
45X-RAY DIFFRACTION45chain 'J' and (resid 1 through 68 )J1 - 68
46X-RAY DIFFRACTION46chain 'J' and (resid 69 through 103 )J69 - 103
47X-RAY DIFFRACTION47chain 'J' and (resid 104 through 134 )J104 - 134
48X-RAY DIFFRACTION48chain 'J' and (resid 135 through 159 )J135 - 159
49X-RAY DIFFRACTION49chain 'J' and (resid 160 through 184 )J160 - 184
50X-RAY DIFFRACTION50chain 'J' and (resid 185 through 207 )J185 - 207
51X-RAY DIFFRACTION51chain 'J' and (resid 208 through 230 )J208 - 230
52X-RAY DIFFRACTION52chain 'K' and (resid 2 through 67 )K2 - 67
53X-RAY DIFFRACTION53chain 'K' and (resid 68 through 73 )K68 - 73
54X-RAY DIFFRACTION54chain 'K' and (resid 74 through 111 )K74 - 111
55X-RAY DIFFRACTION55chain 'K' and (resid 112 through 230 )K112 - 230
56X-RAY DIFFRACTION56chain 'L' and (resid 337 through 364 )L337 - 364

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