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- PDB-6c7g: Crystal structure of human phosphodiesterase 2A with N-(1-adamant... -

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Basic information

Entry
Database: PDB / ID: 6c7g
TitleCrystal structure of human phosphodiesterase 2A with N-(1-adamantyl)-1-(2-chloro-5-isobutoxy-phenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
ComponentscGMP-dependent 3',5'-cyclic phosphodiesterase
KeywordsHYDROLASE / phosphodiesterase
Function / homology
Function and homology information


regulation of cGMP-mediated signaling / cellular response to 2,3,7,8-tetrachlorodibenzodioxine / cellular response to macrophage colony-stimulating factor stimulus / cellular response to cGMP / positive regulation of vascular permeability / heart valve development / cellular response to granulocyte macrophage colony-stimulating factor stimulus / negative regulation of vascular permeability / establishment of endothelial barrier / negative regulation of cAMP-mediated signaling ...regulation of cGMP-mediated signaling / cellular response to 2,3,7,8-tetrachlorodibenzodioxine / cellular response to macrophage colony-stimulating factor stimulus / cellular response to cGMP / positive regulation of vascular permeability / heart valve development / cellular response to granulocyte macrophage colony-stimulating factor stimulus / negative regulation of vascular permeability / establishment of endothelial barrier / negative regulation of cAMP-mediated signaling / regulation of mitochondrion organization / aorta development / ventricular septum development / cGMP-stimulated cyclic-nucleotide phosphodiesterase activity / 3',5'-cyclic-nucleotide phosphodiesterase / negative regulation of cGMP-mediated signaling / cGMP-mediated signaling / TPR domain binding / cGMP catabolic process / phosphate ion binding / cGMP effects / 3',5'-cyclic-GMP phosphodiesterase activity / monocyte differentiation / cAMP-mediated signaling / cGMP binding / 3',5'-cyclic-AMP phosphodiesterase activity / regulation of cAMP-mediated signaling / cAMP binding / cellular response to cAMP / cellular response to transforming growth factor beta stimulus / adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway / synaptic membrane / positive regulation of inflammatory response / cellular response to mechanical stimulus / cellular response to xenobiotic stimulus / presynaptic membrane / G alpha (s) signalling events / mitochondrial inner membrane / mitochondrial outer membrane / mitochondrial matrix / positive regulation of gene expression / perinuclear region of cytoplasm / Golgi apparatus / negative regulation of transcription by RNA polymerase II / magnesium ion binding / endoplasmic reticulum / protein homodimerization activity / zinc ion binding / identical protein binding / nucleus / plasma membrane / cytosol / cytoplasm
Similarity search - Function
Catalytic domain of cyclic nucleotide phosphodiesterase 4b2b / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain / GAF domain / 3'5'-cyclic nucleotide phosphodiesterase / Domain present in phytochromes and cGMP-specific phosphodiesterases. / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain / 3'5'-cyclic nucleotide phosphodiesterase, conserved site / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain superfamily / 3'5'-cyclic nucleotide phosphodiesterase / 3'5'-cyclic nucleotide phosphodiesterase domain signature. ...Catalytic domain of cyclic nucleotide phosphodiesterase 4b2b / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain / GAF domain / 3'5'-cyclic nucleotide phosphodiesterase / Domain present in phytochromes and cGMP-specific phosphodiesterases. / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain / 3'5'-cyclic nucleotide phosphodiesterase, conserved site / 3'5'-cyclic nucleotide phosphodiesterase, catalytic domain superfamily / 3'5'-cyclic nucleotide phosphodiesterase / 3'5'-cyclic nucleotide phosphodiesterase domain signature. / 3'5'-cyclic nucleotide phosphodiesterase domain profile. / GAF domain / GAF-like domain superfamily / Metal dependent phosphohydrolases with conserved 'HD' motif. / HD/PDEase domain / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
Chem-EOY / cGMP-dependent 3',5'-cyclic phosphodiesterase
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.68 Å
AuthorsXu, R. / Aertgeerts, K.
CitationJournal: J. Med. Chem. / Year: 2018
Title: Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes.
Authors: Gomez, L. / Xu, R. / Sinko, W. / Selfridge, B. / Vernier, W. / Ly, K. / Truong, R. / Metz, M. / Marrone, T. / Sebring, K. / Yan, Y. / Appleton, B. / Aertgeerts, K. / Massari, M.E. / Breitenbucher, J.G.
History
DepositionJan 22, 2018Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 15, 2018Provider: repository / Type: Initial release
Revision 1.1Aug 29, 2018Group: Data collection / Database references / Category: citation / citation_author
Item: _citation.title / _citation_author.identifier_ORCID / _citation_author.name
Revision 1.2Sep 26, 2018Group: Data collection / Database references / Category: citation / citation_author
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation_author.identifier_ORCID
Revision 1.3Mar 13, 2024Group: Advisory / Data collection ...Advisory / Data collection / Database references / Derived calculations
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_struct_conn_angle / pdbx_unobs_or_zero_occ_atoms / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: cGMP-dependent 3',5'-cyclic phosphodiesterase
B: cGMP-dependent 3',5'-cyclic phosphodiesterase
C: cGMP-dependent 3',5'-cyclic phosphodiesterase
D: cGMP-dependent 3',5'-cyclic phosphodiesterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)162,17516
Polymers159,6394
Non-polymers2,53512
Water12,178676
1
A: cGMP-dependent 3',5'-cyclic phosphodiesterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,5444
Polymers39,9101
Non-polymers6343
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: cGMP-dependent 3',5'-cyclic phosphodiesterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,5444
Polymers39,9101
Non-polymers6343
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: cGMP-dependent 3',5'-cyclic phosphodiesterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,5444
Polymers39,9101
Non-polymers6343
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
D: cGMP-dependent 3',5'-cyclic phosphodiesterase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)40,5444
Polymers39,9101
Non-polymers6343
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)56.141, 73.992, 91.743
Angle α, β, γ (deg.)109.480, 91.490, 91.040
Int Tables number1
Space group name H-MP1

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Components

#1: Protein
cGMP-dependent 3',5'-cyclic phosphodiesterase / Cyclic GMP-stimulated phosphodiesterase / cGSPDE


Mass: 39909.824 Da / Num. of mol.: 4 / Fragment: phosphodiesterase 2A (UNP residues 323-661)
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: PDE2A / Plasmid: pFastbac-HT / Production host: Spodoptera frugiperda (fall armyworm) / Strain (production host): Sf9
References: UniProt: O00408, 3',5'-cyclic-nucleotide phosphodiesterase
#2: Chemical
ChemComp-EOY / 1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide


Mass: 544.087 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C31H34ClN5O2
#3: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Zn
#4: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Mg
#5: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 676 / 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: 2.26 Å3/Da / Density % sol: 45.46 % / Mosaicity: 0.48 °
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8.4
Details: 17-19% PEG3350, 0.2 M magnesium chloride, 0.1 M Tris, pH 8.4

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 5.0.2 / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: May 6, 2016
RadiationMonochromator: Single crystal, cylindrically bent, Si(220) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 1.68→66.13 Å / Num. obs: 146602 / % possible obs: 92.4 % / Redundancy: 1.8 % / Biso Wilson estimate: 13.06 Å2 / CC1/2: 0.897 / Rmerge(I) obs: 0.171 / Rpim(I) all: 0.161 / Rrim(I) all: 0.235 / Net I/σ(I): 2.9 / Num. measured all: 260972 / Scaling rejects: 9
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsNum. unique obsCC1/2Rpim(I) allRrim(I) all% possible all
1.68-1.721.90.604107760.5440.5620.82791.2
7.51-66.132.10.14317500.8790.1380.19998.6

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassification
DIALSdata reduction
Aimless0.5.25data scaling
PHASERphasing
PHENIXrefinement
PDB_EXTRACT3.24data extraction
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.68→66.13 Å / SU ML: 0.2 / Cross valid method: THROUGHOUT / σ(F): 1.96 / Phase error: 24.36
RfactorNum. reflection% reflection
Rfree0.2335 7078 4.83 %
Rwork0.1973 --
obs0.199 146405 92.28 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å
Displacement parametersBiso max: 80.69 Å2 / Biso mean: 23.7675 Å2 / Biso min: 5.24 Å2
Refinement stepCycle: final / Resolution: 1.68→66.13 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms10963 0 128 676 11767
Biso mean--20.22 24.89 -
Num. residues----1340
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00711409
X-RAY DIFFRACTIONf_angle_d1.0315426
X-RAY DIFFRACTIONf_chiral_restr0.041633
X-RAY DIFFRACTIONf_plane_restr0.0051987
X-RAY DIFFRACTIONf_dihedral_angle_d13.6534192
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 30

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
1.68-1.69910.29372420.27654635487790
1.6991-1.71910.33252400.27474463470390
1.7191-1.74010.2722410.25784552479391
1.7401-1.76210.30542620.2544560482291
1.7621-1.78530.28012420.24254561480392
1.7853-1.80970.28622330.23344708494191
1.8097-1.83560.26542160.22784365458188
1.8356-1.8630.28872100.2234486469688
1.863-1.89210.27452490.22154368461788
1.8921-1.92310.24422230.21114382460587
1.9231-1.95630.24612190.20884514473390
1.9563-1.99190.25652330.20844703493693
1.9919-2.03020.26371870.21924649483693
2.0302-2.07160.26772470.21164676492392
2.0716-2.11670.24552440.19874644488893
2.1167-2.16590.24062420.18824727496994
2.1659-2.22010.2192650.18944714497995
2.2201-2.28010.22722300.18474640487092
2.2801-2.34720.2212320.18924667489992
2.3472-2.4230.24772340.19344577481191
2.423-2.50960.21212340.19334549478392
2.5096-2.610.23062160.18754914513096
2.61-2.72880.24892530.19144831508497
2.7288-2.87270.23922390.19164863510297
2.8727-3.05270.26232290.20314723495294
3.0527-3.28840.23162740.19554625489992
3.2884-3.61930.21762600.19394699495994
3.6193-4.14290.19772410.17054892513397
4.1429-5.21930.1712330.15874710494393
5.2193-66.1840.1962080.18954930513897
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)
10.39890.90390.67782.85890.87491.8660.0818-0.2705-0.19910.1779-0.11250.10970.1472-0.08460.03560.1144-0.04450.01930.19410.04520.1641-9.9902-16.5762.2677
21.30920.42280.47652.15630.18233.21140.045-0.044-0.1880.0144-0.06070.21840.097-0.34260.00290.0786-0.04720.00250.14490.02310.1236-14.0265-12.4842-5.5162
35.74662.3192.44482.41321.19012.66520.0903-0.1639-0.3251-0.02710.0005-0.13490.17830.0012-0.14320.06550.00620.02270.07380.02610.07180.1603-13.1233-5.8372
42.23350.2873-0.05561.1499-0.09111.17170.01820.04950.0037-0.09650.00920.046-0.05740.032-0.02620.0742-0.01780.0070.0817-0.01310.0452-1.5458-2.8543-8.9154
54.36661.01232.33573.74781.61155.1645-0.12270.43830.2087-0.54020.06130.28-0.2634-0.06570.02910.12830.00810.00890.16370.0420.0894-6.43460.9936-17.3285
64.9363-2.3976-0.46434.51030.26872.8987-0.0711-0.00471.03490.04480.0001-0.2348-0.63780.20150.04660.2311-0.0481-0.03070.1106-0.04220.2706-2.969816.6611-4.7309
73.3774-1.63992.26864.5003-2.7476.4550.0335-0.04990.2313-0.0952-0.00840.2764-0.26090.0141-0.02980.0719-0.01820.02260.0758-0.03680.1294-9.30388.475-4.0293
86.151-0.0608-1.35821.31330.49011.5539-0.1073-0.2315-0.09770.51330.09530.04940.10030.51120.02480.0001-0.0448-0.10750.396-0.03070.04112.1385-1.39868.7494
91.8323-0.33150.75761.4283-0.11941.16490.0473-0.07010.45270.1183-0.0697-0.1662-0.27640.34410.03510.171-0.0621-0.00060.2794-0.04570.14297.70859.25117.2791
108.5611-1.5276.47530.6822-0.87284.8043-0.1677-0.47340.06730.19920.1369-0.0483-0.208-0.19570.03430.2538-0.02650.03650.3621-0.0810.16626.83475.247921.2514
111.0192-1.27210.91592.0078-0.71691.57320.04980.0778-0.2917-0.2561-0.0151-0.01160.4515-0.0826-0.03590.26820.0430.02210.1189-0.05490.21324.0964-19.7798-42.4155
123.08950.1545-1.76653.2185-0.43632.74650.0345-0.5426-0.24170.1002-0.1045-0.35730.20780.63360.01780.20720.0917-0.02170.1663-0.00440.208928.7676-15.7012-34.8963
134.8017-3.03912.56973.865-2.80883.4810.139-0.0639-0.42130.08110.06780.07170.4007-0.0633-0.2150.17870.0006-0.02630.047-0.00440.147314.8512-14.4373-32.5164
142.42730.0915-0.25741.77350.31292.0736-0.0045-0.0808-0.042-0.02370.0628-0.10080.03270.0398-0.05690.11250.0186-0.00470.0280.0060.05318.7525-3.5487-35.5327
154.09980.58770.55061.8544-0.36033.3714-0.0973-0.3130.22440.56220.03130.3661-0.1957-0.06760.01260.17680.02170.03760.07370.00330.061811.5816-0.6268-25.5511
162.48250.16710.64511.81650.30552.32650.0713-0.3838-0.14570.16180.0343-0.15890.14280.1483-0.09120.11890.0130.0070.14540.00640.08424.993-4.4417-22.9726
172.3150.91690.57772.37390.46781.3889-0.04130.05630.3089-0.05390.137-0.1786-0.32730.119-0.09670.18840.0040.04040.0658-0.0020.169724.16488.5758-39.302
189.2013-1.1802-4.03982.1569-0.26882.64590.01660.4036-0.1569-0.1758-0.11310.21560.1538-0.43850.08910.1361-0.0121-0.06270.2105-0.01850.10811.4858-3.5074-46.3494
194.30211.21190.03571.01620.28851.33180.07960.41190.578-0.2204-0.02760.1336-0.2829-0.2772-0.02770.22860.04050.00430.18070.07290.16578.21196.4879-48.3971
208.65971.30844.92360.71810.99092.9748-0.08530.47410.0342-0.31540.0610.0455-0.0846-0.0442-0.00420.34050.02230.00520.33540.05830.13796.3433-0.3842-60.9976
210.58160.49430.04921.5626-0.7562.35920.20030.1837-0.61770.0901-0.3318-0.68590.4641.53440.04470.14270.31230.01410.3202-0.22870.366252.5526-46.1064-37.9537
224.44781.54750.48714.38170.19671.7660.01830.12830.0826-0.02750.036-0.604-0.2051.0283-0.03470.1372-0.0516-0.01290.5473-0.09030.26455.8935-34.2092-32.6217
234.2688-0.8547-1.25871.0569-0.74821.89120.0353-0.0086-0.14160.07550.05640.0520.0726-0.0471-0.09770.1061-0.004-0.03470.0646-0.03890.115329.5421-38.4376-28.2992
242.87740.13560.76341.0764-0.19161.99120.161-0.1694-0.4490.0706-0.0103-0.22570.18080.3454-0.09980.13380.0331-0.04910.1632-0.03730.189245.7736-43.1546-22.2907
257.223-1.18667.28262.6288-1.68728.4924-0.0899-0.60950.36290.15580.1908-0.3928-0.34210.41490.05670.1111-0.0285-0.00790.3596-0.17120.256349.6304-33.9094-22.6451
268.01515.25980.96288.1533-0.38961.95060.09990.17060.8066-0.12470.24350.1289-0.97660.3086-0.24530.4005-0.04410.10310.2068-0.08880.272642.5897-20.6242-36.5145
272.81541.26372.04564.41141.28222.93710.1538-0.02830.36450.2854-0.009-0.3008-0.40770.6706-0.12590.212-0.11680.06220.3585-0.11580.256950.1046-27.6259-36.7325
286.83331.4428-1.68572.3792-1.25152.828-0.03580.412-0.2768-0.1750.01780.03440.3714-0.49390.05240.1609-0.0145-0.06170.2244-0.08920.153330.0667-41.8899-46.9445
293.4591.4608-0.39842.7782-0.40792.06450.27780.00930.2926-0.0698-0.15430.1569-0.2717-0.374-0.10980.20930.03230.02270.246-0.04280.109632.7402-30.5792-47.033
306.62213.15656.08572.09763.06675.83880.01520.4367-0.1919-0.14910.1684-0.1531-0.06380.3734-0.18610.24340.00510.03090.2831-0.0170.145633.8385-36.3248-60.6469
310.9511-0.20140.12271.19680.44451.28560.1557-0.3345-0.52970.1517-0.14920.40630.4359-0.4780.01850.2145-0.1725-0.01850.33860.14180.339816.7896-43.87452.5353
323.4451-1.99311.02687.60460.84422.70080.1068-0.1622-0.269-0.1285-0.16760.7297-0.1167-0.53610.07590.1006-0.0277-0.01880.28530.0110.188313.7967-31.1576-4.4158
335.36271.3471-0.7811.670.90142.36410.0191-0.1824-0.3503-0.05280.0305-0.15190.0660.1099-0.05980.0809-0.0023-0.03450.08980.01540.10740.1469-36.6457-8.4184
343.44690.79030.85480.54630.68981.53120.19120.1176-0.515-0.1641-0.02380.09230.2729-0.2383-0.1360.1523-0.0287-0.08630.14850.03270.23523.8281-42.3686-13.3651
352.06693.93399.21494.61783.77062.0738-0.0710.43640.0973-0.33430.15330.3068-0.2347-0.1592-0.0030.1112-0.02330.01260.36030.01040.193820.0882-33.2625-14.6846
367.9601-8.4397-0.60182.08890.64560.04610.08850.3020.4575-0.0691-0.0705-0.30250.01260.0798-0.02280.1393-0.01380.00520.27840.01210.263827.3888-17.5755-3.8271
372.8291-2.55312.01755.5454-4.00565.00740.1881-0.0483-0.0501-0.17-0.10230.16810.07050.0315-0.08360.0723-0.00210.01340.1652-0.00060.10119.6777-24.2078-2.0607
385.2507-1.1695-3.24622.25040.99114.1784-0.0356-0.5186-0.2610.23940.0437-0.04620.29080.0882-0.00140.1524-0.0096-0.05610.27010.0920.125839.7607-36.4610.5356
391.4535-1.01590.66721.74920.30771.6486-0.0125-0.2710.10190.0650.0903-0.1687-0.07310.1146-0.06840.1394-0.0379-0.02110.29650.05120.122636.9142-25.43788.4954
409.2962-3.20056.51721.7291-2.08354.7976-0.1454-0.5204-0.0480.26760.19560.06870.0187-0.3701-0.0410.2330.00550.02830.3843-0.00760.141436.0145-28.402522.5318
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain 'A' and (resid 576 through 611 )A576 - 611
2X-RAY DIFFRACTION2chain 'A' and (resid 612 through 635 )A612 - 635
3X-RAY DIFFRACTION3chain 'A' and (resid 636 through 657 )A636 - 657
4X-RAY DIFFRACTION4chain 'A' and (resid 658 through 750 )A658 - 750
5X-RAY DIFFRACTION5chain 'A' and (resid 751 through 768 )A751 - 768
6X-RAY DIFFRACTION6chain 'A' and (resid 769 through 786 )A769 - 786
7X-RAY DIFFRACTION7chain 'A' and (resid 787 through 815 )A787 - 815
8X-RAY DIFFRACTION8chain 'A' and (resid 816 through 839 )A816 - 839
9X-RAY DIFFRACTION9chain 'A' and (resid 840 through 878 )A840 - 878
10X-RAY DIFFRACTION10chain 'A' and (resid 879 through 916 )A879 - 916
11X-RAY DIFFRACTION11chain 'B' and (resid 579 through 611 )B579 - 611
12X-RAY DIFFRACTION12chain 'B' and (resid 612 through 635 )B612 - 635
13X-RAY DIFFRACTION13chain 'B' and (resid 636 through 657 )B636 - 657
14X-RAY DIFFRACTION14chain 'B' and (resid 658 through 718 )B658 - 718
15X-RAY DIFFRACTION15chain 'B' and (resid 719 through 738 )B719 - 738
16X-RAY DIFFRACTION16chain 'B' and (resid 739 through 768 )B739 - 768
17X-RAY DIFFRACTION17chain 'B' and (resid 769 through 815 )B769 - 815
18X-RAY DIFFRACTION18chain 'B' and (resid 816 through 840 )B816 - 840
19X-RAY DIFFRACTION19chain 'B' and (resid 841 through 878 )B841 - 878
20X-RAY DIFFRACTION20chain 'B' and (resid 879 through 916 )B879 - 916
21X-RAY DIFFRACTION21chain 'C' and (resid 591 through 675 )C591 - 675
22X-RAY DIFFRACTION22chain 'C' and (resid 676 through 695 )C676 - 695
23X-RAY DIFFRACTION23chain 'C' and (resid 696 through 724 )C696 - 724
24X-RAY DIFFRACTION24chain 'C' and (resid 725 through 750 )C725 - 750
25X-RAY DIFFRACTION25chain 'C' and (resid 751 through 768 )C751 - 768
26X-RAY DIFFRACTION26chain 'C' and (resid 769 through 786 )C769 - 786
27X-RAY DIFFRACTION27chain 'C' and (resid 787 through 815 )C787 - 815
28X-RAY DIFFRACTION28chain 'C' and (resid 816 through 839 )C816 - 839
29X-RAY DIFFRACTION29chain 'C' and (resid 840 through 878 )C840 - 878
30X-RAY DIFFRACTION30chain 'C' and (resid 879 through 916 )C879 - 916
31X-RAY DIFFRACTION31chain 'D' and (resid 582 through 674 )D582 - 674
32X-RAY DIFFRACTION32chain 'D' and (resid 675 through 695 )D675 - 695
33X-RAY DIFFRACTION33chain 'D' and (resid 696 through 724 )D696 - 724
34X-RAY DIFFRACTION34chain 'D' and (resid 725 through 750 )D725 - 750
35X-RAY DIFFRACTION35chain 'D' and (resid 751 through 768 )D751 - 768
36X-RAY DIFFRACTION36chain 'D' and (resid 769 through 786 )D769 - 786
37X-RAY DIFFRACTION37chain 'D' and (resid 787 through 815 )D787 - 815
38X-RAY DIFFRACTION38chain 'D' and (resid 816 through 839 )D816 - 839
39X-RAY DIFFRACTION39chain 'D' and (resid 840 through 878 )D840 - 878
40X-RAY DIFFRACTION40chain 'D' and (resid 879 through 916 )D879 - 916

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