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- PDB-3oe7: Structure of four mutant forms of yeast f1 ATPase: gamma-I270T -

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Basic information

Entry
Database: PDB / ID: 3oe7
TitleStructure of four mutant forms of yeast f1 ATPase: gamma-I270T
Components(ATP synthase subunit ...) x 5
KeywordsHYDROLASE / ATP SYNTHASE / ATP PHOSPHATASE / F1F0 ATPASE / ATP SYNTHESIS / ADP / PO4 / mitochondria
Function / homology
Function and homology information


mitochondrial proton-transporting ATP synthase, central stalk / mitochondrial proton-transporting ATP synthase, catalytic core / mitochondrial proton-transporting ATP synthase complex / mitochondrial proton-transporting ATP synthase complex, catalytic sector F(1) / mitochondrial nucleoid / proton motive force-driven mitochondrial ATP synthesis / proton motive force-driven ATP synthesis / proton-transporting ATP synthase complex, catalytic core F(1) / H+-transporting two-sector ATPase / proton-transporting ATPase activity, rotational mechanism ...mitochondrial proton-transporting ATP synthase, central stalk / mitochondrial proton-transporting ATP synthase, catalytic core / mitochondrial proton-transporting ATP synthase complex / mitochondrial proton-transporting ATP synthase complex, catalytic sector F(1) / mitochondrial nucleoid / proton motive force-driven mitochondrial ATP synthesis / proton motive force-driven ATP synthesis / proton-transporting ATP synthase complex, catalytic core F(1) / H+-transporting two-sector ATPase / proton-transporting ATPase activity, rotational mechanism / proton-transporting ATP synthase activity, rotational mechanism / ADP binding / mitochondrial intermembrane space / mitochondrial inner membrane / ATP hydrolysis activity / mitochondrion / ATP binding / cytosol
Similarity search - Function
ATP synthase, F1 complex, epsilon subunit superfamily, mitochondrial / ATP Synthase; domain 1 / F0F1 ATP synthase delta/epsilon subunit, N-terminal / ATP synthase, F1 complex, gamma subunit / Atp Synthase Epsilon Chain; Chain: I; / : / Fungal epsilon subunit of F1F0-ATP synthase C-terminal domain / ATP synthase alpha/beta chain, C-terminal domain / Lysin / Thrombin, subunit H - #170 ...ATP synthase, F1 complex, epsilon subunit superfamily, mitochondrial / ATP Synthase; domain 1 / F0F1 ATP synthase delta/epsilon subunit, N-terminal / ATP synthase, F1 complex, gamma subunit / Atp Synthase Epsilon Chain; Chain: I; / : / Fungal epsilon subunit of F1F0-ATP synthase C-terminal domain / ATP synthase alpha/beta chain, C-terminal domain / Lysin / Thrombin, subunit H - #170 / Elongation Factor Tu (Ef-tu); domain 3 - #20 / Pyruvate Kinase; Chain: A, domain 1 / Bovine Mitochondrial F1-ATPase, ATP Synthase Beta Chain; Chain D, domain3 / Bovine Mitochondrial F1-atpase; Atp Synthase Beta Chain; Chain D, domain 3 / ATP synthase, gamma subunit, helix hairpin domain / ATP synthase, F1 complex, epsilon subunit, mitochondrial / ATP synthase, F1 complex, epsilon subunit superfamily, mitochondrial / Mitochondrial ATP synthase epsilon chain / ATP synthase, F1 complex, delta/epsilon subunit / ATP synthase, F1 complex, delta/epsilon subunit, N-terminal / F0F1 ATP synthase delta/epsilon subunit, N-terminal / ATP synthase, Delta/Epsilon chain, beta-sandwich domain / ATP synthase, F1 complex, gamma subunit conserved site / ATP synthase gamma subunit signature. / ATP synthase, F1 complex, beta subunit / ATP synthase, alpha subunit, C-terminal domain superfamily / ATP synthase, F1 complex, gamma subunit / ATP synthase, F1 complex, gamma subunit superfamily / ATP synthase / ATP synthase, alpha subunit, C-terminal / ATP synthase, F1 complex, alpha subunit / ATP synthase, F1 complex, alpha subunit nucleotide-binding domain / ATP synthase alpha/beta chain, C terminal domain / ATPase, F1/V1 complex, beta/alpha subunit, C-terminal / ATP synthase subunit alpha, N-terminal domain-like superfamily / ATPase, F1/V1/A1 complex, alpha/beta subunit, N-terminal domain superfamily / ATPase, F1/V1/A1 complex, alpha/beta subunit, N-terminal domain / ATP synthase alpha/beta family, beta-barrel domain / ATPase, alpha/beta subunit, nucleotide-binding domain, active site / ATP synthase alpha and beta subunits signature. / ATPase, F1/V1/A1 complex, alpha/beta subunit, nucleotide-binding domain / ATP synthase alpha/beta family, nucleotide-binding domain / Elongation Factor Tu (Ef-tu); domain 3 / Helix Hairpins / Thrombin, subunit H / P-loop containing nucleotide triphosphate hydrolases / ATPases associated with a variety of cellular activities / AAA+ ATPase domain / Up-down Bundle / Beta Barrel / Sandwich / P-loop containing nucleoside triphosphate hydrolase / Rossmann fold / Orthogonal Bundle / 3-Layer(aba) Sandwich / Mainly Beta / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER / PHOSPHATE ION / ATP synthase subunit beta, mitochondrial / ATP synthase subunit alpha, mitochondrial / ATP synthase subunit epsilon, mitochondrial / ATP synthase subunit gamma, mitochondrial / ATP synthase subunit delta, mitochondrial
Similarity search - Component
Biological speciesSaccharomyces cerevisiae (brewer's yeast)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.19 Å
AuthorsArsenieva, D. / Symersky, J. / Wang, Y. / Pagadala, V. / Mueller, D.M.
CitationJournal: J.Biol.Chem. / Year: 2010
Title: Crystal structures of mutant forms of the yeast f1 ATPase reveal two modes of uncoupling.
Authors: Arsenieva, D. / Symersky, J. / Wang, Y. / Pagadala, V. / Mueller, D.M.
History
DepositionAug 12, 2010Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 15, 2010Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Sep 6, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_ref_seq_dif / struct_site
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_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_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_label_asym_id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: ATP synthase subunit alpha
B: ATP synthase subunit alpha
C: ATP synthase subunit alpha
D: ATP synthase subunit beta
E: ATP synthase subunit beta
F: ATP synthase subunit beta
G: ATP synthase subunit gamma
H: ATP synthase subunit delta
I: ATP synthase subunit epsilon
J: ATP synthase subunit alpha
K: ATP synthase subunit alpha
L: ATP synthase subunit alpha
M: ATP synthase subunit beta
N: ATP synthase subunit beta
O: ATP synthase subunit beta
P: ATP synthase subunit gamma
Q: ATP synthase subunit delta
R: ATP synthase subunit epsilon
S: ATP synthase subunit alpha
T: ATP synthase subunit alpha
U: ATP synthase subunit alpha
V: ATP synthase subunit beta
W: ATP synthase subunit beta
X: ATP synthase subunit beta
Y: ATP synthase subunit gamma
Z: ATP synthase subunit delta
1: ATP synthase subunit epsilon
hetero molecules


Theoretical massNumber of molelcules
Total (without water)1,126,48258
Polymers1,118,43027
Non-polymers8,05231
Water0
1
A: ATP synthase subunit alpha
B: ATP synthase subunit alpha
C: ATP synthase subunit alpha
D: ATP synthase subunit beta
E: ATP synthase subunit beta
F: ATP synthase subunit beta
G: ATP synthase subunit gamma
H: ATP synthase subunit delta
I: ATP synthase subunit epsilon
hetero molecules


Theoretical massNumber of molelcules
Total (without water)375,46219
Polymers372,8109
Non-polymers2,65310
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
J: ATP synthase subunit alpha
K: ATP synthase subunit alpha
L: ATP synthase subunit alpha
M: ATP synthase subunit beta
N: ATP synthase subunit beta
O: ATP synthase subunit beta
P: ATP synthase subunit gamma
Q: ATP synthase subunit delta
R: ATP synthase subunit epsilon
hetero molecules


Theoretical massNumber of molelcules
Total (without water)375,55720
Polymers372,8109
Non-polymers2,74711
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
S: ATP synthase subunit alpha
T: ATP synthase subunit alpha
U: ATP synthase subunit alpha
V: ATP synthase subunit beta
W: ATP synthase subunit beta
X: ATP synthase subunit beta
Y: ATP synthase subunit gamma
Z: ATP synthase subunit delta
1: ATP synthase subunit epsilon
hetero molecules


Theoretical massNumber of molelcules
Total (without water)375,46219
Polymers372,8109
Non-polymers2,65310
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)111.030, 292.214, 189.049
Angle α, β, γ (deg.)90.00, 101.82, 90.00
Int Tables number4
Space group name H-MP1211

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Components

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ATP synthase subunit ... , 5 types, 27 molecules ABCJKLSTUDEFMNOVWXGPYHQZIR1

#1: Protein
ATP synthase subunit alpha /


Mass: 55007.402 Da / Num. of mol.: 9 / Fragment: UNP RESIDUES 36-545
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: ATP1, YBL099W, YBL0827 / Production host: SACCHAROMYCES CEREVISIAE (brewer's yeast)
References: UniProt: P07251, H+-transporting two-sector ATPase
#2: Protein
ATP synthase subunit beta /


Mass: 52009.965 Da / Num. of mol.: 9 / Fragment: UNP RESIDUES 34-511
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: ATP2, YJR121W, J2041 / Production host: SACCHAROMYCES CEREVISIAE (brewer's yeast)
References: UniProt: P00830, H+-transporting two-sector ATPase
#3: Protein ATP synthase subunit gamma / / F-ATPase gamma subunit


Mass: 30645.105 Da / Num. of mol.: 3 / Fragment: UNP RESIDUES 34-311 / Mutation: I270T
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: ATP3, ATP3a, ATP3b, YBR039W, YBR0408 / Production host: SACCHAROMYCES CEREVISIAE (brewer's yeast)
References: UniProt: P38077, H+-transporting two-sector ATPase
#4: Protein ATP synthase subunit delta / / F-ATPase delta subunit


Mass: 14494.306 Da / Num. of mol.: 3 / Fragment: UNP RESIDUES 23-160
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: ATP16, YDL004W, YD8119.03, D2935 / Production host: SACCHAROMYCES CEREVISIAE (brewer's yeast)
References: UniProt: Q12165, H+-transporting two-sector ATPase
#5: Protein ATP synthase subunit epsilon / / ATPase subunit epsilon


Mass: 6618.359 Da / Num. of mol.: 3 / Fragment: UNP RESIDUES 2-62
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast)
Gene: ATP15, YPL271W, P0345 / Production host: SACCHAROMYCES CEREVISIAE (brewer's yeast)
References: UniProt: P21306, H+-transporting two-sector ATPase

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Non-polymers , 3 types, 31 molecules

#6: Chemical
ChemComp-ANP / PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER


Mass: 506.196 Da / Num. of mol.: 15 / Source method: obtained synthetically / Formula: C10H17N6O12P3 / Comment: AMP-PNP, energy-carrying molecule analogue*YM
#7: Chemical
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 15 / Source method: obtained synthetically / Formula: Mg
#8: Chemical ChemComp-PO4 / PHOSPHATE ION / Phosphate


Mass: 94.971 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: PO4

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Details

Compound detailsCHAIN A, J, S: ALPHA SUBUNIT (E) CHAIN B, K, T: ALPHA SUBUNIT (TP) CHAIN C, L, U: ALPHA SUBUNIT (DP) ...CHAIN A, J, S: ALPHA SUBUNIT (E) CHAIN B, K, T: ALPHA SUBUNIT (TP) CHAIN C, L, U: ALPHA SUBUNIT (DP) CHAIN D, M, V: BETA SUBUNIT (DP) CHAIN E, N, W: BETA SUBUNIT (E) CHAIN F, O, X: BETA SUBUNIT (TP) CHAIN G, P, Y: GAMMA SUBUNIT CHAIN H, Q, Z: DELTA SUBUNIT CHAIN I, R, 1: EPSILON SUBUNIT

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 2

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Sample preparation

CrystalDensity Matthews: 2.68 Å3/Da / Density % sol: 54.17 %
Crystal growTemperature: 277 K / pH: 7.3
Details: 5.5% PEG 6000, 10% GLYCEROL, 4% METHANOL, 0.05M SODIUM ACETATE, 0.5MM NICKEL SULPHATE, 0.5MM AMP/PNP, 0.025 MM ADP, 2MM MAGNESIUM CHLORIDE, PH 7.3, VAPOR DIFFUSION SITTING DROP, TEMPERATURE 277K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1.033
DetectorType: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Aug 15, 2007
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.033 Å / Relative weight: 1
ReflectionResolution: 3.19→50 Å / Num. obs: 175796 / % possible obs: 99 % / Observed criterion σ(I): -3 / Redundancy: 2.6 % / Biso Wilson estimate: 88.2 Å2 / Rsym value: 0.072 / Net I/σ(I): 10.2
Reflection shellResolution: 3.19→3.31 Å / Rsym value: 0.39 / % possible all: 98

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Processing

Software
NameVersionClassification
Blu-Icedata collection
MOLREPphasing
REFMAC5.5.0102refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 2HLD
Resolution: 3.19→20 Å / Cor.coef. Fo:Fc: 0.946 / Cor.coef. Fo:Fc free: 0.915 / SU ML: 0.409 / Isotropic thermal model: Isotropic / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R Free: 0.519 / Stereochemistry target values: ENGH & HUBER
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES WITH TLS ADDED.
RfactorNum. reflection% reflectionSelection details
Rfree0.245 9360 5.1 %RANDOM
Rwork0.189 ---
obs0.192 175706 95.4 %-
all-175706 --
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK
Displacement parametersBiso mean: 102.6 Å2
Refine analyzeLuzzati coordinate error free: 0.519 Å
Refinement stepCycle: LAST / Resolution: 3.19→20 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms72048 0 485 0 72533
Refine LS restraints
Refine-IDTypeDev ideal
X-RAY DIFFRACTIONr_bond_refined_d0.007
X-RAY DIFFRACTIONr_bond_other_d
X-RAY DIFFRACTIONr_angle_refined_deg1.11
X-RAY DIFFRACTIONr_angle_other_deg
X-RAY DIFFRACTIONr_dihedral_angle_1_deg
X-RAY DIFFRACTIONr_dihedral_angle_2_deg
X-RAY DIFFRACTIONr_dihedral_angle_3_deg
X-RAY DIFFRACTIONr_dihedral_angle_4_deg
X-RAY DIFFRACTIONr_chiral_restr
X-RAY DIFFRACTIONr_gen_planes_refined
X-RAY DIFFRACTIONr_gen_planes_other
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it
X-RAY DIFFRACTIONr_scbond_it
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_rigid_bond_restr
X-RAY DIFFRACTIONr_sphericity_free
X-RAY DIFFRACTIONr_sphericity_bonded
LS refinement shellResolution: 3.19→3.27 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.326 593 -
Rwork0.253 11259 -
obs--84.46 %
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)
14.10131.887-0.017910.5356-0.75183.1337-0.0401-0.78760.04550.67550.0576-0.2057-0.10350.2743-0.01750.29830.08-0.09890.6872-0.02760.254922.49360.776383.0862
23.3943-0.0374-0.59670.8348-0.01132.0414-0.1773-0.0331-0.28470.07910.09420.12090.0749-0.10490.08310.07870.0708-0.01860.3189-0.08870.3507-4.93633.240268.9973
34.5753-0.1129-0.08964.3610.00573.6789-0.02070.71990.0819-0.59490.12330.59670.1649-0.6271-0.10260.13510.0065-0.14920.8397-0.01590.5891-30.19648.605952.2437
46.0284-0.5573-3.30833.86240.75674.6409-0.3219-0.5418-0.96560.04570.0661-0.52240.24460.28540.25580.49740.30750.10320.42340.16620.778236.3525-30.463959.1591
51.6343-0.1021-0.6412.73080.25122.6087-0.33220.2953-0.5619-0.8130.0625-0.08190.6822-0.1060.26960.6968-0.030.20050.2735-0.15730.637222.3912-30.916331.5751
63.16810.31231.60422.9231-0.42692.44230.25260.7917-0.0487-1.7593-0.08290.19390.4258-0.4617-0.16971.9339-0.2268-0.14131.1228-0.3160.82745.3284-30.70056.2962
75.27050.9336-1.41639.0082.58384.8159-0.2803-0.3098-0.0723-0.0463-0.0788-0.4595-0.21570.97390.35910.0445-0.0074-0.03860.7282-0.01340.670653.30957.324555.3516
81.9417-0.185-0.32092.1190.09731.82960.0060.16170.3053-0.41930.1222-0.2309-0.34790.1667-0.12820.2672-0.0840.09370.3611-0.02890.494135.545223.849636.2777
94.0725-0.71890.2554.0352-0.46843.7192-0.0380.3370.5944-1.1152-0.05490.839-0.6402-0.80450.09291.09210.0567-0.16830.81550.13740.780616.320136.553415.6408
1010.192-1.3488-4.42711.1036-1.99710.238-0.1257-0.6643-0.08910.8774-0.0446-0.5855-1.30880.93570.17030.2793-0.0524-0.15910.6827-0.19490.405138.986917.351872.3469
112.44920.45070.12332.1187-0.3141.6228-0.005-0.12840.54630.0120.11640.0479-0.49980.0395-0.11140.2121-0.0025-0.00950.364-0.14470.484615.059729.343559.9513
124.99981.46480.06713.6576-1.0993.6585-0.0960.88050.478-1.06210.29930.3901-0.3728-0.5136-0.20330.58390.1632-0.16010.63190.14940.6592-7.79632.26839.1974
133.17882.95250.8317.40363.27554.47950.0049-0.959-0.95180.71530.2328-0.34360.66620.2463-0.23770.42610.26280.0110.64420.33940.499419.4214-22.145576.3244
142.54530.8431-0.56371.91570.30641.9471-0.21140.0109-0.49430.0192-0.04820.41130.5175-0.41170.25960.3768-0.02240.07330.3283-0.04440.6696-1.9979-26.905256.1337
155.1960.0151-0.43323.0026-0.75693.7016-0.08731.03460.0412-0.6490.02951.01530.0423-1.00330.05770.6705-0.2307-0.22511.22-0.27971.102-23.0369-27.358934.0165
164.7872.8915-0.67867.0883-1.47368.1288-0.1079-0.0451-0.7208-0.1172-0.0235-1.04650.6081.26360.13130.21450.31660.17650.64120.0460.855353.3723-17.409447.7328
171.88470.1077-0.33591.11980.13692.0749-0.10930.4003-0.2173-0.67730.0403-0.46290.24490.43940.0690.52750.01920.23250.4809-0.12670.580140.9749-6.966522.9714
182.6089-0.75590.02942.21930.03722.08530.0210.856-0.0973-0.8390.11030.22960.0179-0.3065-0.13130.8367-0.1497-0.06910.8736-0.02850.396417.33222.95625.5539
192.7761.2392-1.14924.4518-2.44273.74710.0583-0.1125-0.42910.11950.0143-0.8668-0.21111.0369-0.07260.3359-0.24480.03750.91460.05080.740433.6604-101.968671.8796
201.7385-0.15080.18062.0797-0.95363.29450.06020.3552-0.0396-0.643-0.1193-0.2856-0.27020.40910.05910.5952-0.18520.17130.5883-0.01950.411117.8887-100.485845.0109
211.5779-0.74080.26772.6309-0.65993.76270.01850.60340.3311-0.78480.07280.49170.0307-0.6268-0.09131.3115-0.1368-0.10111.10130.010.6819-0.76-100.965820.2891
221.1552-0.51450.26993.80690.63376.00480.2113-0.14390.27710.2245-0.2403-0.2544-0.60890.05350.0290.9674-0.37740.04950.4243-0.17180.67613.0718-70.661190.37
231.5296-0.0705-0.54012.79160.02191.04680.15230.08020.5935-0.0306-0.03960.5414-0.6384-0.3131-0.11271.06380.09250.11450.4153-0.02690.8173-15.7992-66.942277.4492
243.07081.74560.22911.2936-0.14231.23160.09010.28970.4924-0.117-0.02410.7147-0.2395-0.7073-0.0661.33180.4816-0.1591.27010.03621.6445-41.9367-63.868862.3593
255.7676-0.1131-1.41729.669-0.88974.39520.1297-0.9092-0.21360.6812-0.13-0.4137-0.10670.2440.00030.4213-0.2375-0.09870.65360.03270.21126.8109-109.3533103.3922
261.73020.9345-0.63882.2808-0.20863.3364-0.1136-0.0197-0.1824-0.1094-0.0269-0.02770.0227-0.23970.14050.1334-0.10020.0160.3324-0.03570.3007-14.0958-122.776485.1124
272.44930.5145-1.35614.2153-0.64945.1689-0.03290.6301-0.2436-1.00880.12590.78290.6737-1.1012-0.09290.5642-0.3297-0.22750.9591-0.11150.7093-35.4012-133.050765.6407
284.9178-1.38-4.3235.92242.15078.48030.0482-0.6718-1.00320.2118-0.1886-0.96090.40641.27120.14040.2465-0.0593-0.15180.78130.18070.631122.5919-119.193787.3084
291.7990.5434-0.30322.2755-0.53922.9584-0.05310.1926-0.4084-0.3615-0.0004-0.01340.46030.3430.05350.3531-0.00990.10760.3797-0.00760.5937.5119-127.391963.0961
303.94690.9585-0.02382.3108-1.4394.4342-0.21871.02680.0008-0.53460.23560.67650.158-1.0152-0.01690.7816-0.1768-0.20180.825-0.04520.7968-15.7102-125.114542.659
316.1994-3.0379-0.52728.5099-0.59491.57480.024-0.19970.73250.3693-0.0417-0.7177-0.7090.80470.01780.8075-0.49960.00260.67880.01190.600128.6181-78.027171.6082
321.30090.3167-0.481.7292-0.72961.40310.09430.49670.525-0.34780.0150.0179-0.6693-0.0864-0.10941.1847-0.15190.07830.55020.12850.647.6076-70.145751.6683
334.29540.45970.65951.61361.23842.7056-0.1050.72940.0931-0.6865-0.16770.606-0.3364-0.91160.27281.52350.1855-0.10131.38450.40871.0427-14.9637-66.32631.4848
347.79110.9425-1.12538.84710.41913.80060.06-0.82730.33190.92750.0837-0.1487-0.88130.1788-0.14370.9323-0.30420.01090.5563-0.20070.33520.9122-84.3387106.1441
351.7426-0.1695-0.18421.2719-0.01222.01140.2181-0.25720.31590.4333-0.07570.5761-0.6674-0.5943-0.14240.71820.06050.16150.527-0.12850.5767-25.1197-91.882694.1151
362.7926-0.2755-0.27353.1503-0.53152.59660.19440.51990.3463-0.41680.1980.8449-0.2948-0.9008-0.39230.49830.2109-0.10821.09510.03250.9392-43.9414-98.408370.4611
376.1128-1.096-0.59312.11040.77366.2079-0.0713-0.6764-0.10450.2661-0.1458-0.13860.54590.09450.21711.7228-0.17750.13050.92650.05080.627630.8809-35.1483184.6066
382.52810.3775-0.10385.03470.20472.032-0.0311-0.2750.00530.61570.1761-0.01130.32970.018-0.14490.9750.0338-0.2230.481-0.03460.417248.4845-21.3132163.2686
392.980.9715-0.71564.04360.32291.62150.02830.70890.0256-0.89510.1884-1.0823-0.03230.2165-0.21671.1817-0.02630.09030.7887-0.08791.005467.0152-11.8729140.6327
404.96511.023-0.83261.03081.45315.34420.1169-0.28220.16070.054-0.05980.4320.4395-0.734-0.0571.2084-0.2560.431.3761-0.28231.1172-4.6586-33.7704162.5943
412.4441-0.25090.74262.57930.16022.2579-0.09940.4373-0.0022-0.0113-0.12780.85620.1878-0.60580.22730.6774-0.2028-0.00681.1639-0.31640.92861.0004-32.363132.4098
421.8303-0.0057-0.28642.9524-0.32041.8029-0.11540.3460.0147-0.41180.03810.01610.0291-0.20190.07731.31710.0255-0.28751.5448-0.20980.8649.2037-28.5647103.3678
435.486-1.7430.40740.71390.68664.7679-0.3065-0.5229-0.76280.29690.2060.17980.8176-0.42860.10052.1334-0.42580.41181.03530.19841.189214.0387-70.6567169.3973
442.0699-0.08730.14311.88240.70062.3839-0.1208-0.2598-0.5870.6540.1251-0.21550.7862-0.0037-0.00431.7188-0.1193-0.01520.4570.04140.868236.1795-73.6409147.8163
454.20280.0028-0.97544.47871.37011.1008-0.02790.17170.4072-0.08810.1531-0.7555-0.29720.6003-0.12521.5354-0.1618-0.02030.85740.05621.272755.7346-73.3526123.9156
468.9457-0.3528-0.25850.2627-0.16990.3589-0.0354-0.5391-0.19260.4244-0.1153-0.3366-0.2425-0.30070.15072.3171-0.05530.11190.99830.35530.873132.3204-60.6499182.123
472.1579-0.3076-0.41082.5947-0.24892.3164-0.1259-0.4173-0.47630.57370.1705-0.42820.59720.451-0.04461.68260.1564-0.36720.62290.07570.859555.5024-54.5477164.4012
482.7886-0.4027-1.15995.53631.82862.8255-0.08480.5336-0.093-0.63880.4704-1.05970.25320.6344-0.38561.47050.1195-0.04360.962-0.26721.35970.1312-46.5514137.9422
494.8537-1.35460.12994.2659-2.5655.4976-0.0937-0.64020.31350.4509-0.01510.70660.2469-0.53560.10881.3619-0.12420.29271.0608-0.23850.669814.1603-21.0295174.686
501.22460.2821-0.0433.168-0.26812.0452-0.0564-0.05180.30830.3571-0.1550.2274-0.0591-0.3980.21140.69860.0275-0.10070.7672-0.15760.572721.4375-9.1711148.3111
512.50731.1184-0.60873.5673-0.52856.4223-0.2750.69370.3926-0.48320.2024-0.51570.24210.21030.07260.82180.0588-0.10820.8730.06280.765831.2912-0.9816120.7161
524.49780.3115-2.70742.22821.10833.2477-0.1025-0.0772-0.33050.7439-0.07390.99020.4301-0.49430.17651.3701-0.53390.53161.331-0.11941.4199-6.1255-57.8754158.9754
530.83260.68470.17082.10320.31851.264-0.1373-0.1065-0.39660.0364-0.14910.77220.4862-0.75560.28641.1118-0.43840.18941.0282-0.29841.08347.4191-63.3044133.1897
543.14820.69890.11223.3262-0.70454.8998-0.23840.3930.1583-0.3804-0.1127-0.18470.07750.01520.35111.0092-0.31750.01060.5058-0.2130.685727.9759-57.5577110.7341
554.9733-2.28875.74621.096-2.62576.72020.104-0.1714-0.1567-0.06790.0399-0.04260.1584-0.3451-0.14390.5458-0.0572-0.06920.86340.00540.4833-15.569110.85619.0197
564.95471.11110.97052.58010.85733.13990.2569-1.11630.32310.5193-0.31830.4818-0.3477-0.88940.06140.72310.04660.03671.3099-0.08030.5852-41.854818.71256.5852
579.88333.39397.4821.26692.636.0832-0.1117-0.11380.1989-0.1686-0.11350.3817-0.2709-0.8210.22510.98990.067-0.27161.3644-0.05881.0185-41.1396-100.993537.7329
584.20332.2683-0.14771.75881.35834.5916-0.34420.89620.3428-0.37790.622-0.15220.00080.3608-0.27781.4001-0.1904-0.23381.71360.09261.1993-48.7144-105.72548.9055
596.3919-1.0005-6.38690.56321.06626.576-0.1920.2831-0.3713-0.347-0.1082-0.20190.28470.09990.30021.4647-0.2069-0.02531.2524-0.04180.942749.0064-35.9667111.1663
600.2969-1.2999-0.969310.7480.65295.8749-0.1564-0.0036-0.0758-0.1913-0.8392-1.0589-0.01450.26470.99561.4103-0.09450.27582.124-0.06622.227679.0851-29.69295.9175
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A26 - 97
2X-RAY DIFFRACTION2A98 - 382
3X-RAY DIFFRACTION3A383 - 509
4X-RAY DIFFRACTION4B25 - 97
5X-RAY DIFFRACTION5B98 - 382
6X-RAY DIFFRACTION6B383 - 509
7X-RAY DIFFRACTION7C26 - 97
8X-RAY DIFFRACTION8C98 - 382
9X-RAY DIFFRACTION9C383 - 509
10X-RAY DIFFRACTION10D6 - 82
11X-RAY DIFFRACTION11D83 - 357
12X-RAY DIFFRACTION12D358 - 475
13X-RAY DIFFRACTION13E8 - 82
14X-RAY DIFFRACTION14E83 - 357
15X-RAY DIFFRACTION15E358 - 475
16X-RAY DIFFRACTION16F7 - 82
17X-RAY DIFFRACTION17F83 - 357
18X-RAY DIFFRACTION18F358 - 475
19X-RAY DIFFRACTION19J26 - 97
20X-RAY DIFFRACTION20J98 - 382
21X-RAY DIFFRACTION21J383 - 509
22X-RAY DIFFRACTION22K21 - 97
23X-RAY DIFFRACTION23K98 - 382
24X-RAY DIFFRACTION24K383 - 509
25X-RAY DIFFRACTION25L26 - 97
26X-RAY DIFFRACTION26L98 - 382
27X-RAY DIFFRACTION27L383 - 509
28X-RAY DIFFRACTION28M6 - 82
29X-RAY DIFFRACTION29M83 - 357
30X-RAY DIFFRACTION30M358 - 475
31X-RAY DIFFRACTION31N6 - 82
32X-RAY DIFFRACTION32N83 - 357
33X-RAY DIFFRACTION33N358 - 475
34X-RAY DIFFRACTION34O7 - 82
35X-RAY DIFFRACTION35O83 - 357
36X-RAY DIFFRACTION36O358 - 474
37X-RAY DIFFRACTION37S27 - 97
38X-RAY DIFFRACTION38S98 - 382
39X-RAY DIFFRACTION39S383 - 509
40X-RAY DIFFRACTION40T26 - 97
41X-RAY DIFFRACTION41T98 - 382
42X-RAY DIFFRACTION42T383 - 509
43X-RAY DIFFRACTION43U26 - 97
44X-RAY DIFFRACTION44U98 - 382
45X-RAY DIFFRACTION45U383 - 509
46X-RAY DIFFRACTION46V6 - 82
47X-RAY DIFFRACTION47V83 - 357
48X-RAY DIFFRACTION48V358 - 475
49X-RAY DIFFRACTION49W8 - 82
50X-RAY DIFFRACTION50W83 - 357
51X-RAY DIFFRACTION51W358 - 474
52X-RAY DIFFRACTION52X7 - 82
53X-RAY DIFFRACTION53X83 - 357
54X-RAY DIFFRACTION54X358 - 475
55X-RAY DIFFRACTION55G1 - 276
56X-RAY DIFFRACTION56H11 - 136
57X-RAY DIFFRACTION56I8 - 61
58X-RAY DIFFRACTION57P1 - 276
59X-RAY DIFFRACTION58Q12 - 137
60X-RAY DIFFRACTION58R10 - 47
61X-RAY DIFFRACTION59Y1 - 275
62X-RAY DIFFRACTION60Z121 - 135
63X-RAY DIFFRACTION6019 - 45

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