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- PDB-6pet: Crystal structure of 8-hydroxychromene compound 30 bound to estro... -

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Basic information

Entry
Database: PDB / ID: 6pet
TitleCrystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha
ComponentsEstrogen receptor
KeywordsNUCLEAR PROTEIN / hormone receptor / ligand / breast cancer / drug / antagonist
Function / homology
Function and homology information


G protein-coupled estrogen receptor activity / regulation of epithelial cell apoptotic process / antral ovarian follicle growth / regulation of branching involved in prostate gland morphogenesis / RUNX1 regulates transcription of genes involved in WNT signaling / RUNX1 regulates estrogen receptor mediated transcription / regulation of toll-like receptor signaling pathway / nuclear estrogen receptor activity / prostate epithelial cord arborization involved in prostate glandular acinus morphogenesis / epithelial cell proliferation involved in mammary gland duct elongation ...G protein-coupled estrogen receptor activity / regulation of epithelial cell apoptotic process / antral ovarian follicle growth / regulation of branching involved in prostate gland morphogenesis / RUNX1 regulates transcription of genes involved in WNT signaling / RUNX1 regulates estrogen receptor mediated transcription / regulation of toll-like receptor signaling pathway / nuclear estrogen receptor activity / prostate epithelial cord arborization involved in prostate glandular acinus morphogenesis / epithelial cell proliferation involved in mammary gland duct elongation / prostate epithelial cord elongation / epithelial cell development / mammary gland branching involved in pregnancy / uterus development / vagina development / TFIIB-class transcription factor binding / androgen metabolic process / steroid hormone mediated signaling pathway / mammary gland alveolus development / protein localization to chromatin / intracellular estrogen receptor signaling pathway / cellular response to estrogen stimulus / Nuclear signaling by ERBB4 / estrogen response element binding / positive regulation of phospholipase C activity / intracellular steroid hormone receptor signaling pathway / RNA polymerase II preinitiation complex assembly / negative regulation of canonical NF-kappaB signal transduction / TBP-class protein binding / steroid binding / TFAP2 (AP-2) family regulates transcription of growth factors and their receptors / nitric-oxide synthase regulator activity / ESR-mediated signaling / transcription corepressor binding / negative regulation of miRNA transcription / 14-3-3 protein binding / positive regulation of nitric-oxide synthase activity / cellular response to estradiol stimulus / nuclear estrogen receptor binding / transcription coregulator binding / stem cell differentiation / euchromatin / SUMOylation of intracellular receptors / negative regulation of DNA-binding transcription factor activity / beta-catenin binding / transcription coactivator binding / Nuclear Receptor transcription pathway / response to estrogen / male gonad development / Regulation of RUNX2 expression and activity / Constitutive Signaling by Aberrant PI3K in Cancer / nuclear receptor activity / positive regulation of nitric oxide biosynthetic process / positive regulation of DNA-binding transcription factor activity / positive regulation of fibroblast proliferation / Ovarian tumor domain proteases / sequence-specific double-stranded DNA binding / response to estradiol / PIP3 activates AKT signaling / phospholipase C-activating G protein-coupled receptor signaling pathway / ATPase binding / positive regulation of cytosolic calcium ion concentration / fibroblast proliferation / regulation of inflammatory response / PI5P, PP2A and IER3 Regulate PI3K/AKT Signaling / DNA-binding transcription activator activity, RNA polymerase II-specific / Estrogen-dependent gene expression / transcription regulator complex / Extra-nuclear estrogen signaling / calmodulin binding / DNA-binding transcription factor activity, RNA polymerase II-specific / chromatin remodeling / RNA polymerase II cis-regulatory region sequence-specific DNA binding / DNA-binding transcription factor activity / negative regulation of gene expression / chromatin binding / chromatin / regulation of DNA-templated transcription / regulation of transcription by RNA polymerase II / protein kinase binding / positive regulation of DNA-templated transcription / Golgi apparatus / enzyme binding / negative regulation of transcription by RNA polymerase II / signal transduction / positive regulation of transcription by RNA polymerase II / protein-containing complex / zinc ion binding / nucleoplasm / membrane / nucleus / identical protein binding / plasma membrane / cytosol / cytoplasm
Similarity search - Function
Estrogen receptor / Oestrogen-type nuclear receptor final C-terminal domain / : / Oestrogen receptor / Oestrogen-type nuclear receptor final C-terminal / Estrogen receptor/oestrogen-related receptor / Retinoid X Receptor / Retinoid X Receptor / Nuclear hormone receptor / Nuclear hormones receptors DNA-binding region signature. ...Estrogen receptor / Oestrogen-type nuclear receptor final C-terminal domain / : / Oestrogen receptor / Oestrogen-type nuclear receptor final C-terminal / Estrogen receptor/oestrogen-related receptor / Retinoid X Receptor / Retinoid X Receptor / Nuclear hormone receptor / Nuclear hormones receptors DNA-binding region signature. / Zinc finger, nuclear hormone receptor-type / Zinc finger, C4 type (two domains) / Nuclear hormone receptors DNA-binding domain profile. / c4 zinc finger in nuclear hormone receptors / Nuclear hormone receptor, ligand-binding domain / Nuclear hormone receptor-like domain superfamily / Ligand-binding domain of nuclear hormone receptor / Nuclear receptor (NR) ligand-binding (LBD) domain profile. / Ligand binding domain of hormone receptors / Zinc finger, NHR/GATA-type / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
Chem-G9J / Chem-ODY / Estrogen receptor
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.203 Å
AuthorsKiefer, J.R. / Vinogradova, M. / Liang, J. / Wang, X. / Zbieg, J. / Labadie, S.S. / Zhang, B. / Li, J. / Liang, W.
CitationJournal: Bioorg.Med.Chem.Lett. / Year: 2019
Title: Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.
Authors: Labadie, S.S. / Li, J. / Blake, R.A. / Chang, J.H. / Goodacre, S. / Hartman, S.J. / Liang, W. / Kiefer, J.R. / Kleinheinz, T. / Lai, T. / Liao, J. / Ortwine, D.F. / Mody, V. / Ray, N.C. / ...Authors: Labadie, S.S. / Li, J. / Blake, R.A. / Chang, J.H. / Goodacre, S. / Hartman, S.J. / Liang, W. / Kiefer, J.R. / Kleinheinz, T. / Lai, T. / Liao, J. / Ortwine, D.F. / Mody, V. / Ray, N.C. / Roussel, F. / Vinogradova, M. / Yeap, S.K. / Zhang, B. / Zheng, X. / Zbieg, J.R. / Liang, J. / Wang, X.
History
DepositionJun 20, 2019Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jul 17, 2019Provider: repository / Type: Initial release
Revision 1.1Jul 31, 2019Group: Data collection / Database references / Category: citation / citation_author / Item: _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2Aug 28, 2019Group: Data collection / Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.3Mar 13, 2024Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
D: Estrogen receptor
A: Estrogen receptor
C: Estrogen receptor
B: Estrogen receptor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)129,87010
Polymers127,9214
Non-polymers1,9496
Water1,67593
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D: Estrogen receptor
A: Estrogen receptor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)64,9145
Polymers63,9612
Non-polymers9533
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3100 Å2
ΔGint-21 kcal/mol
Surface area19150 Å2
MethodPISA
2
C: Estrogen receptor
B: Estrogen receptor
hetero molecules


Theoretical massNumber of molelcules
Total (without water)64,9575
Polymers63,9612
Non-polymers9963
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area3200 Å2
ΔGint-12 kcal/mol
Surface area19700 Å2
MethodPISA
Unit cell
Length a, b, c (Å)53.173, 58.746, 92.934
Angle α, β, γ (deg.)77.570, 74.400, 63.090
Int Tables number1
Space group name H-MP1

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Components

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Protein , 1 types, 4 molecules DACB

#1: Protein
Estrogen receptor / / ER / ER-alpha / Estradiol receptor / Nuclear receptor subfamily 3 group A member 1


Mass: 31980.295 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ESR1, ESR, NR3A1 / Production host: Escherichia coli (E. coli) / References: UniProt: P03372

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Non-polymers , 5 types, 99 molecules

#2: Chemical ChemComp-G9J / (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol


Mass: 456.273 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C22H17IO3
#3: Chemical ChemComp-ODY / (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol


Mass: 461.525 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C28H28FNO4 / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical ChemComp-CL / CHLORIDE ION / Chloride


Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#5: Chemical ChemComp-DMS / DIMETHYL SULFOXIDE / Dimethyl sulfoxide


Mass: 78.133 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C2H6OS / Comment: DMSO, precipitant*YM
#6: 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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Details

Has ligand of interestY

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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: 1.94 Å3/Da / Density % sol: 36.52 %
Crystal growTemperature: 295 K / Method: vapor diffusion
Details: 25-35% PEG 3,350 0.1 M Bis-Tris (pH 6.1-6.5) 150-300 mM MgCl2

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Data collection

DiffractionMean temperature: 93 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SSRL / Beamline: BL12-2 / Wavelength: 0.97946 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Jun 1, 2016
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97946 Å / Relative weight: 1
ReflectionResolution: 2.2→35 Å / Num. obs: 32797 / % possible obs: 67.7 % / Redundancy: 1.6 % / Biso Wilson estimate: 40.58 Å2 / Rmerge(I) obs: 0.042 / Rpim(I) all: 0.042 / Rrim(I) all: 0.059 / Χ2: 1.018 / Net I/σ(I): 10.2 / Num. measured all: 53187
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) allΧ2% possible all
2.2-2.241.20.2376270.8380.2370.3350.65825.8
2.24-2.281.20.1817130.8790.1810.2560.60429.5
2.28-2.321.30.2388270.8320.2380.3370.75433.7
2.32-2.371.30.23311280.8260.2330.330.75247
2.37-2.421.40.20112960.8610.2010.2840.753.4
2.42-2.481.40.18514760.8620.1850.2610.68461.6
2.48-2.541.40.16816180.9040.1680.2380.76666
2.54-2.611.50.15116150.9450.1510.2130.77767.7
2.61-2.681.50.13417140.9480.1340.1890.73369.9
2.68-2.771.50.11916840.9530.1190.1680.81169.8
2.77-2.871.50.09717020.9730.0970.1370.77871.2
2.87-2.991.60.0919540.9750.090.1280.90680.1
2.99-3.121.70.07519850.9770.0750.1060.86181.3
3.12-3.291.70.06519980.9860.0650.0921.02482.4
3.29-3.491.70.05320390.9910.0530.0751.07484.4
3.49-3.761.80.04218840.9930.0420.0591.15778
3.76-4.141.80.03721680.9940.0370.0521.14289.6
4.14-4.741.90.03321620.9950.0330.0461.15389.6
4.74-5.961.90.03320600.9940.0330.0471.24384.7
5.96-351.90.03221470.9960.0320.0451.43389

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Processing

Software
NameVersionClassification
HKL-2000data reduction
SCALEPACKdata scaling
PHENIX1.8.2_1309refinement
PDB_EXTRACT3.25data extraction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: in house model

Resolution: 2.203→32.142 Å / SU ML: 0.3 / Cross valid method: THROUGHOUT / σ(F): 2.05 / Phase error: 31.15
RfactorNum. reflection% reflection
Rfree0.2323 1634 4.98 %
Rwork0.1732 --
obs0.1763 32781 67.54 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 242.32 Å2 / Biso mean: 68.34 Å2 / Biso min: 24.47 Å2
Refinement stepCycle: final / Resolution: 2.203→32.142 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms7280 0 187 93 7560
Biso mean--74.19 52 -
Num. residues----922
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0077567
X-RAY DIFFRACTIONf_angle_d0.99510233
X-RAY DIFFRACTIONf_chiral_restr0.051199
X-RAY DIFFRACTIONf_plane_restr0.0041313
X-RAY DIFFRACTIONf_dihedral_angle_d14.6192837
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 12

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.2033-2.26810.3142520.23811074112628
2.2681-2.34130.3303580.22781311136934
2.3413-2.42490.31071000.2231955205551
2.4249-2.5220.28261190.21982434255363
2.522-2.63670.28661300.21382565269567
2.6367-2.77570.33341500.21612718286871
2.7757-2.94940.26411610.20672862302374
2.9494-3.1770.23951450.19223125327081
3.177-3.49640.25831470.17863238338584
3.4964-4.00150.19861860.15543128331482
4.0015-5.03830.20292030.13943401360489
5.0383-32.1450.21681830.16543336351987
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)
12.511-0.0128-2.43513.2360.69613.534-0.23120.6133-0.60470.0432-0.42241.45810.5521-0.65610.23540.25690.0695-0.07220.6982-0.00460.816527.20533.966652.6952
23.6683.04882.85414.33220.54684.748-0.87080.26581.5531-0.7089-0.29150.1577-1.22110.90110.88780.67940.0241-0.06180.55650.10330.732750.622525.734155.3624
35.53322.2578-0.54433.9503-0.03144.401-0.01760.39850.86620.46210.06530.2948-0.8909-0.30750.06190.51060.095-0.13630.3555-0.04470.509746.956317.612461.6819
42.42171.66660.10265.05811.48923.71640.07270.0960.25790.2280.0628-0.14120.03040.2367-0.08330.26880.1131-0.0350.3296-0.00420.418848.711511.492556.2012
53.06081.53625.06914.48121.59948.8792-0.46930.33150.9083-0.24480.2664-0.7405-0.38590.59440.04350.31960.01650.0750.4416-0.02280.767556.33528.476247.1981
62.85830.3711-0.99523.2097-0.02922.3181-0.12580.0446-0.0680.35220.07670.23990.8036-0.12820.05260.47860.1329-0.0360.36560.03870.370841.21421.402854.4849
73.87330.012-0.73475.548-0.01662.3320.1582-0.32950.32060.88540.22450.70980.6298-0.6906-0.34510.5194-0.02480.05380.3725-0.03490.464433.9075-5.102154.5096
85.62182.51413.2475.28022.8666.8443-0.03660.1974-0.23880.13730.2548-0.97690.09530.3796-0.11130.35960.0748-0.04040.27180.00830.402650.3158-0.12951.5791
90.9448-2.0949-0.38864.64230.85220.15510.3507-0.97820.01410.07440.5613-0.83890.50160.0715-0.43831.65720.6665-0.45651.607-0.2330.684857.258913.666969.8541
105.0519-4.32813.27013.9782-3.08254.9299-0.0634-0.74840.76911.5710.0422-0.4933-1.6418-0.54030.11581.5769-0.17420.15210.7253-0.10240.638240.813412.285373.4704
112.6739-1.11220.55613.7959-1.09422.6873-0.26590.0467-0.4049-0.03270.019-0.85170.37240.13320.22150.57430.08550.01490.30890.01470.481662.0705-20.598350.9679
123.8772-1.47670.64883.33580.06314.2671-0.3399-0.42520.3330.54560.2061-0.33960.18940.130.12110.46910.123-0.0560.2873-0.04070.299855.4616-14.979560.4165
137.02990.564-0.93368.5404-1.86017.2310.26850.65070.29-0.9217-0.289-0.2560.1180.32840.11490.4990.06960.00240.402-0.02150.356551.1181-11.491939.5507
143.73510.35512.9645.16121.94825.5563-0.37840.0249-0.27570.26990.3355-0.48760.24760.01160.1360.34480.02460.01040.273-0.01430.308446.5663-9.475355.4992
152.56741.5325-1.79655.4666-1.63138.0471-0.54231.14321.3774-0.4532-0.0768-1.9547-0.05871.96790.94280.62390.0859-0.06161.21690.28561.205172.9197-9.642153.4803
165.0195-2.22590.4692.632-0.31493.2863-0.42870.11080.04940.1402-0.58510.96720.6028-0.90580.49030.3546-0.1210.14690.7497-0.1480.939728.20368.6009101.812
172.30740.9384-0.52520.9342-0.65912.5949-0.11180.1065-1.15590.24210.054-0.77751.12840.1375-0.00970.781-0.05530.02790.4603-0.04990.988151.5966-13.174599.0686
187.6359-3.88961.20815.24690.83893.20740.0638-0.1635-0.6898-0.31830.08730.07540.3687-0.0923-0.1090.5454-0.08990.09090.3318-0.00870.455347.9548-5.021192.7955
194.631-0.26691.51074.83540.34535.42120.01830.42420.0556-0.501-0.35220.1232-0.167-0.0170.28310.3568-0.0470.05120.2982-0.05720.31843.43836.32692.7202
201.57940.2061-0.6064.11581.47694.5876-0.1993-0.2287-0.71370.8251-0.0686-0.58540.91030.18750.2920.4960.0085-0.09920.41260.11440.668957.9972-5.9933105.8752
213.2633-1.7665-5.04377.00581.17318.8082-0.2005-0.5694-1.05571.1336-0.1793-0.75940.10570.64470.12420.3986-0.0221-0.18130.5387-0.00470.530957.31194.0764107.2606
222.409-0.8342.1252.96270.31777.9616-0.0088-0.07370.23430.2217-0.16650.3753-0.97390.04180.17630.3773-0.09010.00740.3652-0.04130.395742.255711.23399.9196
232.99140.61750.79235.60091.52616.84220.2113-0.28730.0951-0.13480.12171.1568-0.1427-0.9052-0.16350.2924-0.02530.03090.4526-0.08540.692434.715117.5494100.1759
245.7662-1.0395-2.94686.05012.48466.2127-0.227-0.4183-0.36350.180.0104-0.1380.09150.55570.20330.313-0.12810.01650.27920.00280.283551.375112.7432102.7747
251.41030.095-1.14064.06670.43294.22730.75471.1853-0.8156-0.1482-1.338-1.2503-0.5741-1.0350.36171.2377-0.09480.24491.0319-0.00830.988357.8645-0.869484.4677
262.00812.2662-2.34829.4615-0.14077.4801-0.27122.1671-0.092-1.0916-0.2691-0.23891.4954-0.73470.5311.44860.1956-0.05440.9534-0.05470.627639.8191-0.180781.1329
274.91910.0307-2.71092.9213-1.57612.652-0.04770.06230.36030.2102-0.0123-0.3942-0.307-0.03990.11390.5715-0.1415-0.03970.335-0.06880.413259.94136.8058102.1351
283.53571.49910.52193.94720.13983.3577-0.56430.4117-0.0255-1.01950.3233-0.3904-0.28050.26210.13210.5785-0.15230.06810.3187-0.01070.305760.273628.76693.5957
294.9002-0.87891.64493.92240.11743.40360.0006-0.3735-0.39720.20590.00690.3377-0.1708-0.14620.0330.3109-0.05420.07130.33170.00270.269852.196924.9016110.4619
302.90161.2354-0.03744.73040.68654.1756-0.63950.2133-0.401-0.29050.3656-0.54160.30010.74030.27550.3347-0.0390.08190.3822-0.03830.445457.348921.289598.1003
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'D' and (resid 306 through 321 )D306 - 321
2X-RAY DIFFRACTION2chain 'D' and (resid 322 through 338 )D322 - 338
3X-RAY DIFFRACTION3chain 'D' and (resid 339 through 363 )D339 - 363
4X-RAY DIFFRACTION4chain 'D' and (resid 364 through 420 )D364 - 420
5X-RAY DIFFRACTION5chain 'D' and (resid 421 through 437 )D421 - 437
6X-RAY DIFFRACTION6chain 'D' and (resid 438 through 465 )D438 - 465
7X-RAY DIFFRACTION7chain 'D' and (resid 466 through 496 )D466 - 496
8X-RAY DIFFRACTION8chain 'D' and (resid 497 through 527 )D497 - 527
9X-RAY DIFFRACTION9chain 'D' and (resid 528 through 536 )D528 - 536
10X-RAY DIFFRACTION10chain 'D' and (resid 537 through 546 )D537 - 546
11X-RAY DIFFRACTION11chain 'A' and (resid 306 through 371 )A306 - 371
12X-RAY DIFFRACTION12chain 'A' and (resid 372 through 465 )A372 - 465
13X-RAY DIFFRACTION13chain 'A' and (resid 466 through 493 )A466 - 493
14X-RAY DIFFRACTION14chain 'A' and (resid 494 through 524 )A494 - 524
15X-RAY DIFFRACTION15chain 'A' and (resid 525 through 545 )A525 - 545
16X-RAY DIFFRACTION16chain 'C' and (resid 306 through 321 )C306 - 321
17X-RAY DIFFRACTION17chain 'C' and (resid 322 through 338 )C322 - 338
18X-RAY DIFFRACTION18chain 'C' and (resid 339 through 363 )C339 - 363
19X-RAY DIFFRACTION19chain 'C' and (resid 364 through 395 )C364 - 395
20X-RAY DIFFRACTION20chain 'C' and (resid 396 through 420 )C396 - 420
21X-RAY DIFFRACTION21chain 'C' and (resid 421 through 437 )C421 - 437
22X-RAY DIFFRACTION22chain 'C' and (resid 438 through 465 )C438 - 465
23X-RAY DIFFRACTION23chain 'C' and (resid 466 through 496 )C466 - 496
24X-RAY DIFFRACTION24chain 'C' and (resid 497 through 527 )C497 - 527
25X-RAY DIFFRACTION25chain 'C' and (resid 528 through 536 )C528 - 536
26X-RAY DIFFRACTION26chain 'C' and (resid 537 through 547 )C537 - 547
27X-RAY DIFFRACTION27chain 'B' and (resid 306 through 341 )B306 - 341
28X-RAY DIFFRACTION28chain 'B' and (resid 342 through 438 )B342 - 438
29X-RAY DIFFRACTION29chain 'B' and (resid 439 through 496 )B439 - 496
30X-RAY DIFFRACTION30chain 'B' and (resid 497 through 544 )B497 - 544

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