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- PDB-6axf: Structure of RasGRP2 in complex with Rap1B -

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Basic information

Entry
Database: PDB / ID: 6axf
TitleStructure of RasGRP2 in complex with Rap1B
Components
  • RAS guanyl-releasing protein 2
  • Ras-related protein Rap-1b
KeywordsPROTEIN BINDING / SIGNALING PROTEIN
Function / homology
Function and homology information


negative regulation of synaptic vesicle exocytosis / Rap protein signal transduction / diacylglycerol binding / Effects of PIP2 hydrolysis / regulation of cell junction assembly / negative regulation of calcium ion-dependent exocytosis / positive regulation of integrin activation / Rap1 signalling / establishment of endothelial barrier / regulation of establishment of cell polarity ...negative regulation of synaptic vesicle exocytosis / Rap protein signal transduction / diacylglycerol binding / Effects of PIP2 hydrolysis / regulation of cell junction assembly / negative regulation of calcium ion-dependent exocytosis / positive regulation of integrin activation / Rap1 signalling / establishment of endothelial barrier / regulation of establishment of cell polarity / MET activates RAP1 and RAC1 / azurophil granule membrane / p130Cas linkage to MAPK signaling for integrins / GRB2:SOS provides linkage to MAPK signaling for Integrins / lipid droplet / G protein activity / cellular response to calcium ion / Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation / small monomeric GTPase / Integrin signaling / guanyl-nucleotide exchange factor activity / cellular response to cAMP / regulation of cell growth / Signaling by high-kinase activity BRAF mutants / MAP2K and MAPK activation / ruffle membrane / GDP binding / FCERI mediated NF-kB activation / Signaling by RAF1 mutants / Signaling downstream of RAS mutants / Paradoxical activation of RAF signaling by kinase inactive BRAF / Signaling by moderate kinase activity BRAF mutants / positive regulation of GTPase activity / Signaling by BRAF and RAF1 fusions / cell-cell junction / cell population proliferation / Ras protein signal transduction / positive regulation of ERK1 and ERK2 cascade / lipid binding / neuron projection / GTPase activity / synapse / protein-containing complex binding / GTP binding / Neutrophil degranulation / calcium ion binding / signal transduction / extracellular exosome / membrane / plasma membrane / cytosol
Similarity search - Function
Ras-related protein Rap1 / RasGEF N-terminal motif / Guanine nucleotide exchange factor for Ras-like GTPases; N-terminal motif / Ras-like guanine nucleotide exchange factor, N-terminal / Ras guanine-nucleotide exchange factors N-terminal domain profile. / Ras-like guanine nucleotide exchange factor / Ras guanine-nucleotide exchange factor, catalytic domain superfamily / Ras guanine-nucleotide exchange factors catalytic domain profile. / Guanine nucleotide exchange factor for Ras-like small GTPases / Ras guanine nucleotide exchange factor domain superfamily ...Ras-related protein Rap1 / RasGEF N-terminal motif / Guanine nucleotide exchange factor for Ras-like GTPases; N-terminal motif / Ras-like guanine nucleotide exchange factor, N-terminal / Ras guanine-nucleotide exchange factors N-terminal domain profile. / Ras-like guanine nucleotide exchange factor / Ras guanine-nucleotide exchange factor, catalytic domain superfamily / Ras guanine-nucleotide exchange factors catalytic domain profile. / Guanine nucleotide exchange factor for Ras-like small GTPases / Ras guanine nucleotide exchange factor domain superfamily / RasGEF domain / Ras guanine-nucleotide exchange factors catalytic domain / Phorbol esters/diacylglycerol binding domain (C1 domain) / Zinc finger phorbol-ester/DAG-type signature. / Protein kinase C conserved region 1 (C1) domains (Cysteine-rich domains) / Zinc finger phorbol-ester/DAG-type profile. / Protein kinase C-like, phorbol ester/diacylglycerol-binding domain / C1-like domain superfamily / Small GTPase, Ras-type / small GTPase Ras family profile. / EF-hand domain pair / Rho (Ras homology) subfamily of Ras-like small GTPases / Ras family / Small GTPase / EF-hand, calcium binding motif / EF-Hand 1, calcium-binding site / EF-hand calcium-binding domain. / EF-hand calcium-binding domain profile. / EF-hand domain / EF-hand domain pair / Small GTP-binding protein domain / P-loop containing nucleotide triphosphate hydrolases / P-loop containing nucleoside triphosphate hydrolase / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
Ras-related protein Rap-1b / RAS guanyl-releasing protein 2
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.1 Å
AuthorsKondo, Y. / Iwig, J.S. / Kuriyan, J.
CitationJournal: Elife / Year: 2017
Title: A histidine pH sensor regulates activation of the Ras-specific guanine nucleotide exchange factor RasGRP1.
Authors: Vercoulen, Y. / Kondo, Y. / Iwig, J.S. / Janssen, A. / White, K.A. / Amini, M. / Barber, D.L. / Kuriyan, J. / Roose, J.P.
History
DepositionSep 6, 2017Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 11, 2017Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: RAS guanyl-releasing protein 2
B: Ras-related protein Rap-1b
C: RAS guanyl-releasing protein 2
D: Ras-related protein Rap-1b
E: RAS guanyl-releasing protein 2
F: Ras-related protein Rap-1b
G: RAS guanyl-releasing protein 2
H: Ras-related protein Rap-1b
I: RAS guanyl-releasing protein 2
J: Ras-related protein Rap-1b
K: RAS guanyl-releasing protein 2
L: Ras-related protein Rap-1b
M: RAS guanyl-releasing protein 2
N: Ras-related protein Rap-1b
O: RAS guanyl-releasing protein 2
P: Ras-related protein Rap-1b


Theoretical massNumber of molelcules
Total (without water)520,23916
Polymers520,23916
Non-polymers00
Water0
1
A: RAS guanyl-releasing protein 2
B: Ras-related protein Rap-1b


Theoretical massNumber of molelcules
Total (without water)65,0302
Polymers65,0302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3070 Å2
ΔGint-18 kcal/mol
Surface area25070 Å2
MethodPISA
2
C: RAS guanyl-releasing protein 2
D: Ras-related protein Rap-1b


Theoretical massNumber of molelcules
Total (without water)65,0302
Polymers65,0302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3170 Å2
ΔGint-16 kcal/mol
Surface area24790 Å2
MethodPISA
3
E: RAS guanyl-releasing protein 2
F: Ras-related protein Rap-1b


Theoretical massNumber of molelcules
Total (without water)65,0302
Polymers65,0302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3140 Å2
ΔGint-18 kcal/mol
Surface area24640 Å2
MethodPISA
4
G: RAS guanyl-releasing protein 2
H: Ras-related protein Rap-1b


Theoretical massNumber of molelcules
Total (without water)65,0302
Polymers65,0302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3090 Å2
ΔGint-17 kcal/mol
Surface area24580 Å2
MethodPISA
5
I: RAS guanyl-releasing protein 2
J: Ras-related protein Rap-1b


Theoretical massNumber of molelcules
Total (without water)65,0302
Polymers65,0302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3080 Å2
ΔGint-17 kcal/mol
Surface area23960 Å2
MethodPISA
6
K: RAS guanyl-releasing protein 2
L: Ras-related protein Rap-1b


Theoretical massNumber of molelcules
Total (without water)65,0302
Polymers65,0302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3160 Å2
ΔGint-15 kcal/mol
Surface area23730 Å2
MethodPISA
7
M: RAS guanyl-releasing protein 2
N: Ras-related protein Rap-1b


Theoretical massNumber of molelcules
Total (without water)65,0302
Polymers65,0302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3110 Å2
ΔGint-19 kcal/mol
Surface area24200 Å2
MethodPISA
8
O: RAS guanyl-releasing protein 2
P: Ras-related protein Rap-1b


Theoretical massNumber of molelcules
Total (without water)65,0302
Polymers65,0302
Non-polymers00
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3070 Å2
ΔGint-18 kcal/mol
Surface area24050 Å2
MethodPISA
Unit cell
Length a, b, c (Å)138.998, 209.258, 336.765
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number24
Space group name H-MI212121

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Components

#1: Protein
RAS guanyl-releasing protein 2 / Calcium and DAG-regulated guanine nucleotide exchange factor I / CalDAG-GEFI / Cdc25-like protein / ...Calcium and DAG-regulated guanine nucleotide exchange factor I / CalDAG-GEFI / Cdc25-like protein / hCDC25L / F25B3.3 kinase-like protein


Mass: 45881.188 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: RASGRP2, CDC25L, MCG7 / Production host: Escherichia coli (E. coli) / References: UniProt: Q7LDG7
#2: Protein
Ras-related protein Rap-1b / GTP-binding protein smg p21B


Mass: 19148.641 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: RAP1B, OK/SW-cl.11 / Production host: Escherichia coli (E. coli) / References: UniProt: P61224

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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: 2.35 Å3/Da / Density % sol: 47.74 %
Crystal growTemperature: 293 K / Method: vapor diffusion, sitting drop / pH: 5.6 / Details: 17% PEG3350 and 10 mM sodium citrate (pH 5.6)

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.2.1 / Wavelength: 0.9795 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Feb 11, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.9795 Å / Relative weight: 1
ReflectionResolution: 3.1→49.46 Å / Num. obs: 171499 / % possible obs: 100 % / Redundancy: 4.5 % / CC1/2: 0.993 / Rmerge(I) obs: 0.148 / Net I/σ(I): 6.7

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Processing

Software
NameVersionClassification
PHENIX(1.12_2829: ???)refinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.1→49.46 Å / SU ML: 0.44 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 29.49 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2577 4365 4.9 %
Rwork0.2025 --
obs0.2052 171493 99.61 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.1→49.46 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms34903 0 0 0 34903
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00335577
X-RAY DIFFRACTIONf_angle_d0.5548166
X-RAY DIFFRACTIONf_dihedral_angle_d9.58821645
X-RAY DIFFRACTIONf_chiral_restr0.0385473
X-RAY DIFFRACTIONf_plane_restr0.0046198
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.1-3.13520.37772910.33055449X-RAY DIFFRACTION100
3.1352-3.17210.35592710.32595446X-RAY DIFFRACTION100
3.1721-3.21080.41642690.32645409X-RAY DIFFRACTION100
3.2108-3.25140.35712910.31055441X-RAY DIFFRACTION100
3.2514-3.29420.36562610.29715437X-RAY DIFFRACTION100
3.2942-3.33930.32382700.28775528X-RAY DIFFRACTION100
3.3393-3.3870.34292280.27885524X-RAY DIFFRACTION100
3.387-3.43760.34423010.28255388X-RAY DIFFRACTION100
3.4376-3.49130.28292520.25825450X-RAY DIFFRACTION100
3.4913-3.54850.32672920.25615435X-RAY DIFFRACTION100
3.5485-3.60960.32113120.23045406X-RAY DIFFRACTION100
3.6096-3.67530.28342470.22755525X-RAY DIFFRACTION100
3.6753-3.74590.27123040.21695445X-RAY DIFFRACTION100
3.7459-3.82240.26692690.20745444X-RAY DIFFRACTION100
3.8224-3.90540.29253050.21015377X-RAY DIFFRACTION100
3.9054-3.99630.25643130.20155444X-RAY DIFFRACTION100
3.9963-4.09610.23832920.19215422X-RAY DIFFRACTION100
4.0961-4.20680.21542430.18075514X-RAY DIFFRACTION100
4.2068-4.33060.22822630.17595417X-RAY DIFFRACTION100
4.3306-4.47020.23062870.16765467X-RAY DIFFRACTION100
4.4702-4.62990.22352380.16695480X-RAY DIFFRACTION100
4.6299-4.81510.2442740.16215435X-RAY DIFFRACTION100
4.8151-5.03410.18822780.14995453X-RAY DIFFRACTION100
5.0341-5.29920.21112850.17175432X-RAY DIFFRACTION100
5.2992-5.63080.26432810.1835441X-RAY DIFFRACTION100
5.6308-6.06480.2662940.19425435X-RAY DIFFRACTION100
6.0648-6.67380.26313140.20475387X-RAY DIFFRACTION100
6.6738-7.63650.28722590.18345472X-RAY DIFFRACTION100
7.6365-9.60960.18813030.13635432X-RAY DIFFRACTION100
9.6096-49.46650.18533130.16015158X-RAY DIFFRACTION95
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)
12.9472-1.52030.75533.15480.55222.1753-0.03171.05550.5013-0.22090.063-0.489-0.19250.30820.01660.5606-0.12620.00680.97190.2140.700188.167243.0602-9.9381
21.3753-0.4013-0.2292.3381-2.182.0840.00090.44340.0005-0.35540.46780.11050.4139-0.2517-0.44971.1176-0.1091-0.04730.9865-0.28040.761381.2385215.59281.2026
31.5190.1740.45992.8078-2.33933.2937-0.07840.21220.05370.09630.0536-0.2594-0.09710.10990.03330.39970.0515-0.04320.4218-0.08770.457588.2641223.314519.4409
43.16890.85240.73132.414-0.70012.428-0.06360.4609-0.7021-0.49420.1166-0.0741-0.2905-0.6908-0.18930.65560.006-0.08670.5839-0.06380.624179.4281210.271522.203
52.17360.0744-0.12081.81920.00892.6657-0.18060.18350.43270.5390.2697-0.5344-1.4023-0.1270.10821.16130.0883-0.19680.4975-0.10730.842787.9149243.253329.1631
60.3629-0.2474-0.07622.47230.11132.6056-0.3528-0.1380.07840.85320.6391-0.3442-0.8259-0.2933-0.09420.9420.2592-0.05640.5217-0.08440.531881.9539234.859633.3874
71.18450.2850.7182.44350.48240.57060.2164-0.16320.11120.2821-0.0890.1748-0.6323-0.9636-0.28421.37430.7068-0.15210.8257-0.31130.656875.9254237.392638.2981
81.6796-0.55070.63563.4365-1.11472.3865-0.6046-0.94770.2251.86850.79020.3429-1.6754-1.1463-0.10981.62850.57820.07540.9087-0.10570.761374.113244.143239.8545
92.67640.8183-0.722.8541-0.24423.9269-0.07960.55430.0432-0.5053-0.1790.35830.407-0.25930.18750.5523-0.0733-0.02250.6344-0.07030.363850.8945176.3942-13.1712
102.49970.50960.78280.12790.41411.7379-0.47741.00950.8439-0.20380.13790.536-0.7871.15840.49031.1919-0.0207-0.26580.88910.01950.870158.1961195.6348-9.6104
113.80890.92910.00944.48691.00273.2171-0.0675-0.26740.6904-0.1318-0.24731.185-0.9268-0.36530.43040.72540.2281-0.00880.5304-0.02670.708852.9974209.012915.1319
120.69970.2371-0.1554.77022.85214.14090.0643-0.06110.14560.0578-0.17740.4272-0.0045-0.40790.08490.3086-0.00830.03250.4801-0.07030.44552.3796194.148119.1694
132.9093-2.50081.34645.42370.99086.3391-0.3515-1.1566-0.01190.09820.00710.4746-0.0998-0.7590.51160.7512-0.0410.0090.750.0840.348548.608177.513234.7193
146.71250.29862.71340.42650.31484.29580.48290.4967-0.84540.28430.10920.50461.0701-0.1308-0.62351.3074-0.11440.10820.58760.10260.555551.2128169.714821.1408
152.7666-0.39451.09533.4659-1.62843.08720.0859-0.49870.4231.25440.57691.1455-0.9853-1.4624-1.25961.1341-0.28570.29130.98780.18730.739844.9398172.000732.765
160.8182-0.64740.82092.10290.05571.3243-0.1356-0.20410.05051.3215-0.53540.41590.555-0.08550.65410.72640.07280.10660.6227-0.13840.353355.8029187.74425.3702
171.3354-0.0761-0.09890.9881-0.66120.74340.0497-0.37520.5010.05860.05880.0152-0.01360.268-0.05720.9192-0.04930.03560.67870.0110.426465.6031181.14731.8442
182.4786-1.51640.05695.53350.39640.0796-0.0331-0.6736-0.10570.66910.03510.0808-0.18410.3251-0.11311.0750.0720.02910.72840.02740.414360.4114180.836838.617
194.4517-0.09840.34712.5246-2.20983.3114-0.3375-0.377-0.45030.8977-0.2778-0.00290.25650.73330.83471.4010.2441-0.03060.93120.18680.586472.2194164.758526.0585
203.27630.0781-0.88322.58460.31151.7026-0.8712-0.342-0.12761.03070.9101-0.08160.0775-0.00580.05711.56880.15070.06190.93470.04520.495666.8451170.382636.4299
216.443-0.3675-0.11364.12680.15144.8065-1.0901-1.435-1.13550.56390.3721-0.37851.67310.14880.78571.2897-0.1850.0990.82790.10250.579254.134171.046939.2494
223.3897-0.06350.50821.9265-0.46172.9168-0.20120.7487-0.3462-0.52540.3263-0.4476-0.34010.4826-0.03380.7455-0.23320.37940.9312-0.28070.95318.7471241.8462-15.4849
232.62221.3947-1.32042.1879-1.84185.10080.82090.56540.3845-0.13740.06430.70420.67080.482-0.70341.1462-0.01490.28681.2268-0.28670.999115.3055228.127-19.3998
241.33421.2524-1.29682.1267-0.85871.4390.023-0.4409-0.2018-0.48270.514-1.5310.34070.0089-0.4211.6527-0.026-0.53260.7928-0.12031.46998.9053205.619113.2626
251.44621.17150.87642.3970.22453.55190.3995-0.1669-0.86710.15030.2675-1.04940.67160.4866-0.43420.46590.119-0.18190.7452-0.06741.332516.9096223.484816.1303
262.92121.29482.34165.1433-0.4822.3895-0.3179-1.22730.1251-0.1516-0.0181-0.43540.16040.86830.35630.176-0.0088-0.16121.6339-0.31091.011920.3434241.042832.2201
274.886-0.33442.12952.54031.20564.9873-0.5299-0.2629-0.0264-0.0456-0.27480.3435-0.7382-0.28560.5850.8762-0.05690.26220.7296-0.16690.740812.0731247.151721.7609
285.155-2.0963-1.72183.07883.33533.66970.64080.71140.53330.0463-1.15660.3498-1.43930.73220.30521.2315-0.30970.20661.0604-0.32010.980723.0234250.355915.6301
294.98791.0082-0.76561.7233-2.54185.172-0.0731-0.81890.84420.89571.1065-0.5565-0.29521.5391-0.99350.53350.1721-0.03121.6105-0.51631.088524.8628247.968129.7139
302.12020.55340.1063.38681.5373.1382-0.4612-0.8924-0.07850.20580.3555-0.2187-0.29990.4718-0.10630.6001-0.0511-0.00051.0266-0.34241.364917.9492240.060725.6765
311.7942-1.1567-0.44531.5007-0.97362.2788-0.0915-1.3457-0.4377-0.1543-0.1484-0.2038-0.26090.85190.3840.79260.0575-0.27920.9231-0.05361.351714.7222229.186326.0246
322.0676-1.17130.67242.3155-0.09051.9705-0.745-0.2444-0.36650.20360.1519-0.4222-0.0272-0.82990.22470.40620.05160.0040.9713-0.00950.74333.4237237.200729.313
332.43411.3618-1.14365.3826-1.70734.05970.1957-0.535-0.532-0.2939-0.8067-0.47820.1167-0.07271.02230.6805-0.08220.0581.1856-0.18390.79848.456237.522836.1654
343.6489-1.52230.15711.76071.18881.4073-0.5887-0.12310.5048-0.0276-0.57830.6456-0.5384-0.89751.03850.96330.2978-0.041.3216-0.24740.8705-3.3478253.542723.4135
353.2836-0.3320.18515.5325-0.57772.29190.5096-0.84690.14140.5443-0.18050.1783-0.5152-1.0024-0.43480.90180.16020.00051.6265-0.02310.8028-3.5015245.256637.0322
364.51940.876-0.16432.29331.7491.60760.297-0.48640.25040.72940.7238-0.4487-0.76690.4586-0.64970.9929-0.22760.06731.2833-0.32230.77775.5225249.846931.7495
372.82880.57190.28060.54360.87683.7089-0.5237-1.87490.08890.27210.1171-0.1559-1.0623-0.2630.42920.4684-0.22360.01621.2318-0.28531.196714.981248.04735.9323
382.8496-0.6455-0.77133.489-0.76053.3152-0.10360.6874-0.368-0.56920.19760.27470.29250.1779-0.09790.5461-0.0529-0.05030.6509-0.10050.4131-18.465174.9507-12.4123
391.3921-0.9327-1.08142.31211.29491.30660.2510.49490.32350.0727-0.1677-0.0076-0.0982-0.6114-0.26471.25570.031-0.05190.89140.3350.7602-12.1971201.4659-2.6759
401.25890.003-0.26033.85561.31313.41580.03190.04870.17520.03830.06340.1675-0.56490.0382-0.09480.50010.07470.08690.35630.03820.401-17.5485197.135216.8947
413.2221-0.2794-1.28092.1036-0.44642.5034-0.3739-0.4381-0.2177-0.12560.30620.5150.39120.11510.24380.79080.2160.16590.4690.13020.4587-16.343177.825930.0843
428.09780.46864.04160.29780.75192.00150.63670.1578-1.36030.08170.5254-0.1381.4396-1.5326-0.46050.51810.03520.19150.48630.17191.1133-23.6777170.499919.5885
432.523-0.0214-0.14931.6701-0.73430.917-0.40190.1031-0.1970.51770.55750.38430.1969-0.17060.03510.76080.14210.140.44710.00280.3954-19.7185182.546329.8573
443.3065-1.0908-1.37022.87841.3571.8123-0.5689-0.92790.06390.51460.67380.1758-0.43520.7993-0.13580.68780.1707-0.0120.58050.06920.306-5.0879183.622633.1204
453.9808-1.0823-0.93720.9138-0.71931.7012-0.6523-1.0642-0.26870.67610.41440.07160.23870.66170.21310.96340.19720.03410.78990.11390.4488-5.5143174.417637.2363
465.3093-0.4219-1.47683.26910.91424.15160.2301-0.8317-0.11660.3009-0.0542-0.17230.36960.3693-0.12850.4564-0.0611-0.0510.6170.03320.5191-17.295227.453996.7712
470.46250.02620.25690.2296-0.22220.16520.1719-0.32490.7329-0.28940.2365-0.0678-0.5994-0.023-0.32251.61380.0609-0.04231.0247-0.13841.2276-19.7463249.752588.4634
482.483-0.1891-0.43822.0134-0.60843.72510.3150.09810.9165-0.28030.06870.1821-0.7130.0529-0.25990.6209-0.01190.17880.36620.01450.8098-15.6793246.912265.3916
491.04770.98080.35390.84450.53661.5991-0.1985-0.0532-0.0727-0.085-0.1528-0.37510.23960.34350.25210.69710.10560.00630.58580.06760.7115-15.9159226.568454.106
506.36820.8585-1.08550.81271.71475.1740.7807-0.1173-1.59050.3852-0.41480.09641.37251.1535-0.36291.28720.23930.07490.49940.04040.802-10.079220.069965.645
511.4572-0.67040.19470.4080.43725.87670.33420.41780.4469-0.32360.7537-0.7150.84281.5173-1.26450.7640.21630.22220.8526-0.1680.668-6.9222222.791251.996
524.2551-0.59470.08232.85370.93663.03330.20080.23910.4483-0.29240.27080.23560.44650.0721-0.36920.47640.01460.08220.4430.00080.5219-13.9573230.680355.563
530.23490.3110.45930.57460.28091.10480.13570.09440.1283-0.1767-0.2378-0.4003-0.2835-0.04290.14540.63550.18910.06310.56270.04390.6926-21.2836235.1153.4204
544.49910.5821-0.67681.7271-0.63272.3906-0.42580.73940.3906-0.3020.1913-0.3497-0.0294-0.77550.12610.89210.19080.02260.66730.0680.4765-27.1819233.343848.7505
553.50630.5123-1.61112.17380.30852.5785-0.1841.3899-0.169-1.34180.074-0.0220.5722-0.9388-0.20881.05020.0436-0.13640.9806-0.17230.6385-33.2269224.375945.6912
568.92263.0376-3.22466.4763-0.80362.7278-0.22410.668-0.6279-1.13350.4912-0.26510.68580.3385-0.2030.75250.08710.09890.6642-0.14340.4541-18.6116220.788547.2922
573.82660.494-0.17363.6641-1.78544.64840.23990.5074-0.2121-0.1544-0.13080.10860.5094-0.3814-0.0720.26660.03730.00620.4492-0.10010.463813.9035229.132674.2631
581.04660.81710.61272.80162.89522.7340.13420.32360.5763-0.478-0.4020.4608-0.822-0.55490.16451.11160.0682-0.03120.68710.010.790420.558252.403283.3639
592.29720.6041-0.41393.32591.24993.15110.1882-0.46630.54950.1256-0.01650.324-0.29370.058-0.07480.3635-0.01050.20910.4252-0.12930.570819.6223248.8518104.9648
602.7111-0.07640.17351.8779-1.19461.5825-0.5443-0.2965-0.2792-0.19330.3730.44270.7243-0.31330.17610.5391-0.04220.13140.61940.00670.439820.7492228.561116.5928
616.60420.26982.90370.0238-0.12435.62691.0913-1.0847-0.5543-0.0096-0.14180.59621.0154-0.5434-0.78720.6251-0.120.17630.52410.05090.791712.0644222.2518106.6052
621.5588-0.1519-0.22792.1569-1.14032.34870.057-0.5335-0.00720.4284-0.07920.64030.2343-0.22480.00380.5779-0.08070.19950.6391-0.02490.578720.5694232.7061117.0195
632.8375-0.4361-0.17763.8137-0.18391.4639-0.2586-0.8494-0.01990.55240.22880.531-0.3660.21080.25130.5586-0.09910.11320.61980.02860.393933.401234.4758119.1781
643.07770.4677-0.66291.1483-1.0741.9754-0.0338-0.9573-0.17480.5581-0.02640.29290.05130.3863-0.08690.79140.05180.17550.92650.16820.463432.1601223.7994122.0142
653.7556-0.2486-0.55022.96891.70134.90550.1723-0.3719-0.40230.2303-0.1121-0.14410.38150.0618-0.02610.1849-0.0745-0.01660.29580.08470.289253.7366227.174695.8357
663.3775-1.5182.20462.9547-2.13222.4335-0.058-0.99290.74190.1849-0.2039-0.6125-0.87-0.75870.04711.3229-0.0172-0.05870.7733-0.1030.787749.0271243.300497.6346
671.3126-0.51410.40663.7613-0.40232.77070.1214-0.13720.36880.33470.02210.012-1.1029-0.0552-0.14670.62840.0140.13480.2604-0.05230.407747.3977252.076872.8106
681.267-0.59780.25963.8851-1.22763.3747-0.02290.04450.2507-0.20910.0686-0.1637-0.6532-0.1206-0.03650.3537-0.02010.04660.30220.01320.402349.771248.382964.0146
695.6219-0.4586-2.24253.21380.28215.3048-0.2380.26160.7220.736-0.2686-0.2790.73450.60080.00860.4368-0.03890.05470.0428-0.14580.571747.189231.293651.4021
706.04751.61322.59821.40520.60854.62990.04-0.2522-0.964-0.12610.0773-0.84440.94660.4038-0.24090.47850.096-0.04880.35880.00730.463751.3776222.256561.0495
711.0890.13330.22232.4421.55372.2551-0.03070.1333-0.1373-0.63530.1417-0.3537-0.09880.627-0.0280.55770.04820.09790.4366-0.020.450250.1221233.005953.4492
722.91560.9215-0.54253.3424-0.02352.0250.03340.51190.2282-0.26690.09830.25-0.4803-0.5875-0.12250.36740.11530.02050.3988-0.04970.295335.4154235.574451.1502
736.157-1.54242.05414.85920.14195.3120.43-0.1865-0.6480.2104-0.18510.65351.4307-0.05820.02140.6424-0.10350.13640.48280.09930.401627.8944218.932858.5006
743.7282-0.77730.14644.749-0.92672.5866-0.25820.33330.0375-0.91970.5272-0.21410.0725-0.4283-0.3530.6776-0.05410.00690.5842-0.14090.350732.1592225.105448.0817
753.39132.0427-2.45494.7221-0.70813.6891-0.47030.5788-0.4359-1.18120.36530.35030.6128-1.16920.16640.4452-0.00920.05930.5394-0.11860.388344.389225.783543.8813
763.5887-0.88011.00264.2741-0.37073.88770.1322-0.60940.08650.7843-0.36010.32920.1237-0.68090.15350.4258-0.09630.1130.6345-0.05670.478587.3765191.311299.6927
770.4139-0.0343-0.50461.12041.40091.64680.1454-0.2225-0.1149-0.18560.3818-0.062-0.11971.2422-0.28531.502-0.0280.2050.98590.15560.634390.4469165.990387.1848
781.40930.00230.44234.20560.4542.95360.2484-0.0307-0.2611-0.1065-0.232-0.0250.59650.0047-0.0380.34030.02010.0210.42370.05270.464185.374171.493568.579
793.02710.6587-0.04911.78160.10522.9357-0.3201-0.4614-0.02370.16070.15270.4858-0.5564-0.08810.25960.48190.09380.06220.43570.05210.517583.7555194.180861.3844
802.6195-0.2876-0.80852.3981-1.35151.05160.0214-0.1030.0602-0.43950.35040.36330.2482-0.5168-0.38620.4409-0.022-0.04450.48880.04140.425882.3185187.298557.4323
813.20810.94980.92862.23410.47041.8651-0.20660.3927-0.6766-0.17380.3153-0.3950.19690.5398-0.13810.48950.12980.01090.49710.02520.505196.1363184.556351.7914
823.654-0.81820.3073.66370.10963.96620.04510.19040.8054-0.4247-0.0106-0.4149-0.67150.954-0.17640.330.08230.08540.8650.15890.731101.1038196.655751.6416
837.91351.41663.03776.2241-0.03867.9078-0.30381.77390.8432-0.94820.51080.1085-0.47190.2721-0.310.3543-0.10380.11120.58780.11080.369185.7668194.749446.9676
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1chain 'A' and (resid 8 through 110 )
2X-RAY DIFFRACTION2chain 'A' and (resid 111 through 154 )
3X-RAY DIFFRACTION3chain 'A' and (resid 155 through 349 )
4X-RAY DIFFRACTION4chain 'A' and (resid 350 through 387 )
5X-RAY DIFFRACTION5chain 'B' and (resid 1 through 36 )
6X-RAY DIFFRACTION6chain 'B' and (resid 37 through 103 )
7X-RAY DIFFRACTION7chain 'B' and (resid 104 through 120 )
8X-RAY DIFFRACTION8chain 'B' and (resid 121 through 167 )
9X-RAY DIFFRACTION9chain 'C' and (resid 7 through 109 )
10X-RAY DIFFRACTION10chain 'C' and (resid 110 through 141 )
11X-RAY DIFFRACTION11chain 'C' and (resid 142 through 172 )
12X-RAY DIFFRACTION12chain 'C' and (resid 173 through 387 )
13X-RAY DIFFRACTION13chain 'D' and (resid 1 through 10 )
14X-RAY DIFFRACTION14chain 'D' and (resid 11 through 36 )
15X-RAY DIFFRACTION15chain 'D' and (resid 37 through 57 )
16X-RAY DIFFRACTION16chain 'D' and (resid 58 through 74 )
17X-RAY DIFFRACTION17chain 'D' and (resid 75 through 103 )
18X-RAY DIFFRACTION18chain 'D' and (resid 104 through 116 )
19X-RAY DIFFRACTION19chain 'D' and (resid 117 through 127 )
20X-RAY DIFFRACTION20chain 'D' and (resid 128 through 153 )
21X-RAY DIFFRACTION21chain 'D' and (resid 154 through 167 )
22X-RAY DIFFRACTION22chain 'E' and (resid 7 through 109 )
23X-RAY DIFFRACTION23chain 'E' and (resid 110 through 132 )
24X-RAY DIFFRACTION24chain 'E' and (resid 133 through 154 )
25X-RAY DIFFRACTION25chain 'E' and (resid 155 through 387 )
26X-RAY DIFFRACTION26chain 'F' and (resid 1 through 10 )
27X-RAY DIFFRACTION27chain 'F' and (resid 11 through 24 )
28X-RAY DIFFRACTION28chain 'F' and (resid 25 through 36 )
29X-RAY DIFFRACTION29chain 'F' and (resid 37 through 48 )
30X-RAY DIFFRACTION30chain 'F' and (resid 49 through 64 )
31X-RAY DIFFRACTION31chain 'F' and (resid 65 through 74 )
32X-RAY DIFFRACTION32chain 'F' and (resid 75 through 103 )
33X-RAY DIFFRACTION33chain 'F' and (resid 104 through 116 )
34X-RAY DIFFRACTION34chain 'F' and (resid 117 through 127 )
35X-RAY DIFFRACTION35chain 'F' and (resid 128 through 137 )
36X-RAY DIFFRACTION36chain 'F' and (resid 138 through 153 )
37X-RAY DIFFRACTION37chain 'F' and (resid 154 through 166 )
38X-RAY DIFFRACTION38chain 'G' and (resid 7 through 109 )
39X-RAY DIFFRACTION39chain 'G' and (resid 110 through 154 )
40X-RAY DIFFRACTION40chain 'G' and (resid 155 through 387 )
41X-RAY DIFFRACTION41chain 'H' and (resid 1 through 24 )
42X-RAY DIFFRACTION42chain 'H' and (resid 25 through 36 )
43X-RAY DIFFRACTION43chain 'H' and (resid 37 through 74 )
44X-RAY DIFFRACTION44chain 'H' and (resid 75 through 120 )
45X-RAY DIFFRACTION45chain 'H' and (resid 121 through 167 )
46X-RAY DIFFRACTION46chain 'I' and (resid 7 through 109 )
47X-RAY DIFFRACTION47chain 'I' and (resid 110 through 154 )
48X-RAY DIFFRACTION48chain 'I' and (resid 155 through 387 )
49X-RAY DIFFRACTION49chain 'J' and (resid 1 through 24 )
50X-RAY DIFFRACTION50chain 'J' and (resid 25 through 36 )
51X-RAY DIFFRACTION51chain 'J' and (resid 37 through 48 )
52X-RAY DIFFRACTION52chain 'J' and (resid 49 through 64 )
53X-RAY DIFFRACTION53chain 'J' and (resid 65 through 86 )
54X-RAY DIFFRACTION54chain 'J' and (resid 87 through 120 )
55X-RAY DIFFRACTION55chain 'J' and (resid 121 through 145 )
56X-RAY DIFFRACTION56chain 'J' and (resid 146 through 167 )
57X-RAY DIFFRACTION57chain 'K' and (resid 8 through 110 )
58X-RAY DIFFRACTION58chain 'K' and (resid 111 through 154 )
59X-RAY DIFFRACTION59chain 'K' and (resid 155 through 387 )
60X-RAY DIFFRACTION60chain 'L' and (resid 1 through 24 )
61X-RAY DIFFRACTION61chain 'L' and (resid 25 through 36 )
62X-RAY DIFFRACTION62chain 'L' and (resid 37 through 86 )
63X-RAY DIFFRACTION63chain 'L' and (resid 87 through 120 )
64X-RAY DIFFRACTION64chain 'L' and (resid 121 through 167 )
65X-RAY DIFFRACTION65chain 'M' and (resid 6 through 109 )
66X-RAY DIFFRACTION66chain 'M' and (resid 110 through 143 )
67X-RAY DIFFRACTION67chain 'M' and (resid 144 through 190 )
68X-RAY DIFFRACTION68chain 'M' and (resid 191 through 387 )
69X-RAY DIFFRACTION69chain 'N' and (resid 1 through 15 )
70X-RAY DIFFRACTION70chain 'N' and (resid 16 through 36 )
71X-RAY DIFFRACTION71chain 'N' and (resid 37 through 74 )
72X-RAY DIFFRACTION72chain 'N' and (resid 75 through 116 )
73X-RAY DIFFRACTION73chain 'N' and (resid 117 through 127 )
74X-RAY DIFFRACTION74chain 'N' and (resid 128 through 153 )
75X-RAY DIFFRACTION75chain 'N' and (resid 154 through 167 )
76X-RAY DIFFRACTION76chain 'O' and (resid 7 through 109 )
77X-RAY DIFFRACTION77chain 'O' and (resid 110 through 154 )
78X-RAY DIFFRACTION78chain 'O' and (resid 155 through 387 )
79X-RAY DIFFRACTION79chain 'P' and (resid 1 through 36 )
80X-RAY DIFFRACTION80chain 'P' and (resid 37 through 74 )
81X-RAY DIFFRACTION81chain 'P' and (resid 75 through 116 )
82X-RAY DIFFRACTION82chain 'P' and (resid 117 through 153 )
83X-RAY DIFFRACTION83chain 'P' and (resid 154 through 167 )

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