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- PDB-4e7v: The structure of R6 bovine insulin -

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Basic information

Entry
Database: PDB / ID: 4e7v
TitleThe structure of R6 bovine insulin
Components
  • Insulin A chain
  • Insulin B chain
KeywordsHORMONE / Zinc binding
Function / homology
Function and homology information


estradiol secretion / negative regulation of lactation / positive regulation of blood circulation / glucose import in response to insulin stimulus / positive regulation of cell maturation / positive regulation of lactation / response to L-arginine / positive regulation of mammary gland epithelial cell proliferation / negative regulation of appetite / response to butyrate ...estradiol secretion / negative regulation of lactation / positive regulation of blood circulation / glucose import in response to insulin stimulus / positive regulation of cell maturation / positive regulation of lactation / response to L-arginine / positive regulation of mammary gland epithelial cell proliferation / negative regulation of appetite / response to butyrate / feeding behavior / response to growth hormone / response to food / positive regulation of Rho protein signal transduction / positive regulation of peptide hormone secretion / protein secretion / negative regulation of lipid catabolic process / response to glucose / response to nutrient levels / positive regulation of protein secretion / insulin receptor binding / positive regulation of insulin secretion / hormone activity / glucose metabolic process / glucose homeostasis / response to heat / positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / positive regulation of gene expression / negative regulation of apoptotic process / extracellular space / identical protein binding
Similarity search - Function
Insulin / Insulin family / Insulin/IGF/Relaxin family / Insulin, conserved site / Insulin family signature. / Insulin-like / Insulin / insulin-like growth factor / relaxin family. / Insulin-like superfamily
Similarity search - Domain/homology
Biological speciesBos taurus (cattle)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.8 Å
AuthorsHarris, P. / Frankaer, C.G. / Knudsen, M.V.
CitationJournal: Acta Crystallogr.,Sect.D / Year: 2012
Title: The structures of T(6), T(3)R(3) and R(6) bovine insulin: combining X-ray diffraction and absorption spectroscopy.
Authors: Frankar, C.G. / Knudsen, M.V. / Noren, K. / Nazarenko, E. / Stahl, K. / Harris, P.
History
DepositionMar 19, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 4, 2012Provider: repository / Type: Initial release
Revision 1.1Oct 3, 2012Group: Database references
Revision 1.2Mar 7, 2018Group: Data collection / Category: diffrn_source / Item: _diffrn_source.pdbx_synchrotron_site
Revision 1.3Sep 13, 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_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_label_asym_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_label_asym_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 / _struct_conn.ptnr2_label_seq_id / _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: Insulin A chain
B: Insulin B chain
C: Insulin A chain
D: Insulin B chain
E: Insulin A chain
F: Insulin B chain
G: Insulin A chain
H: Insulin B chain
I: Insulin A chain
J: Insulin B chain
K: Insulin A chain
L: Insulin B chain
M: Insulin A chain
N: Insulin B chain
O: Insulin A chain
P: Insulin B chain
Q: Insulin A chain
R: Insulin B chain
S: Insulin A chain
T: Insulin B chain
U: Insulin A chain
V: Insulin B chain
W: Insulin A chain
X: Insulin B chain
Y: Insulin A chain
Z: Insulin B chain
1: Insulin A chain
2: Insulin B chain
3: Insulin A chain
4: Insulin B chain
5: Insulin A chain
6: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)94,43464
Polymers91,89732
Non-polymers2,53732
Water8,179454
1
1: Insulin A chain
2: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,9535
Polymers5,7442
Non-polymers2093
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1160 Å2
ΔGint-10 kcal/mol
Surface area4030 Å2
MethodPISA
2
A: Insulin A chain
B: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,9174
Polymers5,7442
Non-polymers1742
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1120 Å2
ΔGint-11 kcal/mol
Surface area4090 Å2
MethodPISA
3
C: Insulin A chain
D: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,9535
Polymers5,7442
Non-polymers2093
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1130 Å2
ΔGint-12 kcal/mol
Surface area4160 Å2
MethodPISA
4
E: Insulin A chain
F: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,8874
Polymers5,7442
Non-polymers1442
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1090 Å2
ΔGint-12 kcal/mol
Surface area4100 Å2
MethodPISA
5
G: Insulin A chain
H: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,8523
Polymers5,7442
Non-polymers1081
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1150 Å2
ΔGint-11 kcal/mol
Surface area4140 Å2
MethodPISA
6
I: Insulin A chain
J: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,8523
Polymers5,7442
Non-polymers1081
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1150 Å2
ΔGint-12 kcal/mol
Surface area4070 Å2
MethodPISA
7
K: Insulin A chain
L: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,8523
Polymers5,7442
Non-polymers1081
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1130 Å2
ΔGint-12 kcal/mol
Surface area4160 Å2
MethodPISA
8
Y: Insulin A chain
Z: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,9535
Polymers5,7442
Non-polymers2093
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1160 Å2
ΔGint-12 kcal/mol
Surface area3990 Å2
MethodPISA
9
M: Insulin A chain
N: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,9535
Polymers5,7442
Non-polymers2093
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1170 Å2
ΔGint-13 kcal/mol
Surface area4020 Å2
MethodPISA
10
O: Insulin A chain
P: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,9535
Polymers5,7442
Non-polymers2093
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1140 Å2
ΔGint-10 kcal/mol
Surface area4040 Å2
MethodPISA
11
Q: Insulin A chain
R: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,8523
Polymers5,7442
Non-polymers1081
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1130 Å2
ΔGint-12 kcal/mol
Surface area4040 Å2
MethodPISA
12
S: Insulin A chain
T: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,8523
Polymers5,7442
Non-polymers1081
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1090 Å2
ΔGint-10 kcal/mol
Surface area4100 Å2
MethodPISA
13
U: Insulin A chain
V: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,8523
Polymers5,7442
Non-polymers1081
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1150 Å2
ΔGint-12 kcal/mol
Surface area4020 Å2
MethodPISA
14
W: Insulin A chain
X: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,8523
Polymers5,7442
Non-polymers1081
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1200 Å2
ΔGint-10 kcal/mol
Surface area4040 Å2
MethodPISA
15
3: Insulin A chain
4: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,9535
Polymers5,7442
Non-polymers2093
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1110 Å2
ΔGint-11 kcal/mol
Surface area4040 Å2
MethodPISA
16
5: Insulin A chain
6: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)5,9535
Polymers5,7442
Non-polymers2093
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area1150 Å2
ΔGint-12 kcal/mol
Surface area4150 Å2
MethodPISA
17
Y: Insulin A chain
Z: Insulin B chain
1: Insulin A chain
2: Insulin B chain
hetero molecules

Y: Insulin A chain
Z: Insulin B chain
1: Insulin A chain
2: Insulin B chain
hetero molecules

Y: Insulin A chain
Z: Insulin B chain
1: Insulin A chain
2: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)35,71530
Polymers34,46112
Non-polymers1,25418
Water21612
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_555-y,x-y,z1
crystal symmetry operation3_555-x+y,-x,z1
Buried area19610 Å2
ΔGint-319 kcal/mol
Surface area11870 Å2
MethodPISA
18
3: Insulin A chain
4: Insulin B chain
5: Insulin A chain
6: Insulin B chain
hetero molecules

3: Insulin A chain
4: Insulin B chain
5: Insulin A chain
6: Insulin B chain
hetero molecules

3: Insulin A chain
4: Insulin B chain
5: Insulin A chain
6: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)35,71530
Polymers34,46112
Non-polymers1,25418
Water21612
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_555-y,x-y,z1
crystal symmetry operation3_555-x+y,-x,z1
Buried area19670 Å2
ΔGint-327 kcal/mol
Surface area12130 Å2
MethodPISA
19
M: Insulin A chain
N: Insulin B chain
O: Insulin A chain
P: Insulin B chain
Q: Insulin A chain
R: Insulin B chain
S: Insulin A chain
T: Insulin B chain
U: Insulin A chain
V: Insulin B chain
W: Insulin A chain
X: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)35,31222
Polymers34,46112
Non-polymers85110
Water21612
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area19380 Å2
ΔGint-228 kcal/mol
Surface area12220 Å2
MethodPISA
20
A: Insulin A chain
B: Insulin B chain
C: Insulin A chain
D: Insulin B chain
E: Insulin A chain
F: Insulin B chain
G: Insulin A chain
H: Insulin B chain
I: Insulin A chain
J: Insulin B chain
K: Insulin A chain
L: Insulin B chain
hetero molecules


Theoretical massNumber of molelcules
Total (without water)35,31222
Polymers34,46112
Non-polymers85110
Water21612
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area19440 Å2
ΔGint-232 kcal/mol
Surface area12510 Å2
MethodPISA
Unit cell
Length a, b, c (Å)156.240, 156.240, 78.880
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number146
Space group name H-MH3
Components on special symmetry positions
IDModelComponents
11Z-101-

ZN

21Z-102-

CL

312-101-

ZN

412-102-

CL

514-101-

ZN

614-102-

CL

716-101-

ZN

816-102-

CL

91Z-205-

HOH

101Z-212-

HOH

1112-204-

HOH

1214-203-

HOH

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Components

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Protein/peptide , 2 types, 32 molecules ACEGIKMOQSUWY135BDFHJLNPRTVXZ246

#1: Protein/peptide
Insulin A chain


Mass: 2339.645 Da / Num. of mol.: 16 / Source method: isolated from a natural source / Source: (natural) Bos taurus (cattle) / References: UniProt: P01317
#2: Protein/peptide
Insulin B chain


Mass: 3403.927 Da / Num. of mol.: 16 / Source method: isolated from a natural source / Source: (natural) Bos taurus (cattle) / References: UniProt: P01317

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Non-polymers , 4 types, 486 molecules

#3: Chemical
ChemComp-CRS / M-CRESOL


Mass: 108.138 Da / Num. of mol.: 16 / Source method: obtained synthetically / Formula: C7H8O
#4: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Zn
#5: Chemical
ChemComp-CL / CHLORIDE ION


Mass: 35.453 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: Cl
#6: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 454 / 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: 2.02 Å3/Da / Density % sol: 38.99 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.4
Details: 2 ul 5 mg/ml bovine insulin + 2 ul reservoir equilibrated against 1 ml reservoir of: 0.12 M sodium citrate, 17 mM zinc acetate, 22% acetone, 0.5% m-cresol, 1.67 M NaCl, pH 8.4, VAPOR ...Details: 2 ul 5 mg/ml bovine insulin + 2 ul reservoir equilibrated against 1 ml reservoir of: 0.12 M sodium citrate, 17 mM zinc acetate, 22% acetone, 0.5% m-cresol, 1.67 M NaCl, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: MAX II / Beamline: I911-2 / Wavelength: 1.04 Å
DetectorType: MAR CCD 165 mm / Detector: CCD / Date: May 17, 2011
RadiationMonochromator: Bent Si (111) crystal, horizontally focusing / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.04 Å / Relative weight: 1
ReflectionResolution: 1.8→28.88 Å / Num. all: 64897 / Num. obs: 64897 / % possible obs: 97.5 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0

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Processing

Software
NameVersionClassification
MAR345dtbdata collection
MOLREPphasing
PHENIX(phenix.refine: 2010_07_29_2140)refinement
XDSdata reduction
XSCALEdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 1EV3
Resolution: 1.8→28.88 Å / SU ML: 0.27 / σ(F): 1.99 / Phase error: 32.58 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2717 3243 5 %RANDOM
Rwork0.2088 ---
obs0.2119 64868 97.52 %-
all-64868 --
Solvent computationShrinkage radii: 0.49 Å / VDW probe radii: 0.8 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 73.483 Å2 / ksol: 0.423 e/Å3
Displacement parameters
Baniso -1Baniso -2Baniso -3
1-0.6886 Å2-0 Å2-0 Å2
2--0.6886 Å2-0 Å2
3----1.3771 Å2
Refinement stepCycle: LAST / Resolution: 1.8→28.88 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms6160 0 144 454 6758
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0076535
X-RAY DIFFRACTIONf_angle_d0.9828794
X-RAY DIFFRACTIONf_dihedral_angle_d13.2652189
X-RAY DIFFRACTIONf_chiral_restr0.072949
X-RAY DIFFRACTIONf_plane_restr0.0041137
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
1.8001-1.82690.36221380.31942629X-RAY DIFFRACTION97
1.8269-1.85550.31961410.29622678X-RAY DIFFRACTION98
1.8555-1.88590.30841430.28942721X-RAY DIFFRACTION98
1.8859-1.91840.35041440.27332738X-RAY DIFFRACTION98
1.9184-1.95330.31161420.26312690X-RAY DIFFRACTION98
1.9533-1.99080.29251410.25612671X-RAY DIFFRACTION98
1.9908-2.03150.31991410.24222696X-RAY DIFFRACTION98
2.0315-2.07560.32621430.24152710X-RAY DIFFRACTION99
2.0756-2.12390.2421430.22312711X-RAY DIFFRACTION99
2.1239-2.1770.27521430.21252730X-RAY DIFFRACTION98
2.177-2.23580.2711420.21652686X-RAY DIFFRACTION99
2.2358-2.30160.27681430.20762723X-RAY DIFFRACTION99
2.3016-2.37590.23611420.19532693X-RAY DIFFRACTION99
2.3759-2.46070.26151440.19232739X-RAY DIFFRACTION99
2.4607-2.55920.26731420.19442698X-RAY DIFFRACTION99
2.5592-2.67560.26291420.19912723X-RAY DIFFRACTION99
2.6756-2.81650.26471420.20392688X-RAY DIFFRACTION98
2.8165-2.99280.24641420.19952697X-RAY DIFFRACTION98
2.9928-3.22360.27381410.19482673X-RAY DIFFRACTION97
3.2236-3.54750.26311410.19112691X-RAY DIFFRACTION98
3.5475-4.05960.23371400.1782653X-RAY DIFFRACTION96
4.0596-5.11010.24151360.17372584X-RAY DIFFRACTION94
5.1101-28.88920.37731270.27732403X-RAY DIFFRACTION87
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)
11.9713-1.4183-3.7383.06321.79638.0263-0.53750.9567-0.12560.1264-0.31860.40740.2038-1.2150.59410.1849-0.0548-0.01070.5122-0.00880.26225.355218.983512.3066
22.5284-0.628-2.09023.69983.8624.90920.26521.3531-0.1127-0.4212-0.5653-0.0649-0.8163-1.58770.42930.31140.1253-0.08680.8342-0.17810.239519.070423.284720.9366
33.8177-1.1018-0.45920.6351.21233.2077-0.0558-0.10170.22140.04770.0141-0.08570.1856-0.3320.03670.1848-0.0113-0.01960.17150.01480.15730.749520.053421.9182
45.08263.2455-2.73886.0614-0.47472.04680.26450.02570.04010.5641-0.11850.45420.1825-0.0209-0.03760.3104-0.1549-0.070.42670.00090.282725.147412.05626.0421
57.51942.1813-1.59875.8039-1.99760.8257-0.2023-1.1761-0.34550.6204-0.15030.19240.7897-0.65840.28530.4838-0.08760.00940.39740.02770.272931.977510.508940.157
67.02624.92333.17723.71822.29861.419-0.0977-0.30581.61670.6598-0.33780.83480.6763-0.24760.22360.4917-0.0437-0.02450.0310.04030.352535.83673.964731.521
70.3261-0.0526-0.25927.05367.99578.84930.2528-0.07010.11420.12090.0614-0.48120.2858-0.4364-0.29260.2175-0.0065-0.01190.14970.01850.166634.275615.58830.4282
84.61084.00111.69133.68722.04935.1187-0.7860.03260.3944-1.3278-0.2720.8947-0.32760.24230.7780.4556-0.0547-0.09930.22360.010.293341.829437.13812.6092
99.35971.261-3.09157.92240.04216.6524-0.7019-0.05120.4504-0.96480.5171-0.01090.11660.82520.11410.3368-0.013-0.03450.25040.02670.294348.984940.040120.8761
100.690.43481.13291.2016-0.03291.59160.075-0.10910.065-0.11190.004-0.0716-0.0267-0.1607-0.10470.2568-0.00870.01660.19890.01410.174639.706431.48821.4086
119.2638-1.0713-3.59591.31832.45625.3077-0.2054-0.11251.50090.05430.74620.5122-0.8958-0.07390.01880.41420.0439-0.00120.12170.04990.300936.222740.329826.3052
126.356-0.9727-1.24664.57325.68587.1566-0.517-1.10120.49491.0505-0.353-0.0586-1.20940.22250.70940.55930.0788-0.02810.2907-0.03130.248632.052134.963240.5792
137.677-7.043-3.42569.69121.21992.6941-0.4979-0.1834-0.28230.39340.55480.191-0.6807-1.36340.15490.25760.19380.01550.3361-0.01520.24324.020234.861632.1491
141.5117-1.45251.51461.6888-1.35092.46450.1206-0.0258-0.09890.22790.07520.0957-0.12510.2277-0.14790.186-0.00460.00450.19440.00860.198734.834730.613130.6727
158.0941-1.9293-4.47246.4343-0.60763.06290.25160.44460.3022-0.9975-0.223-0.4790.06740.6683-0.06310.3450.04030.00140.3312-0.00840.264549.240213.85411.967
162.2404-0.82621.19630.62670.60464.69770.17380.1238-0.3072-0.109-0.12070.47370.8318-0.2381-0.01790.34650.0460.02920.26440.03690.303148.01575.937720.1746
170.3909-0.2479-0.46350.7074-0.78261.45060.02030.0527-0.0715-0.11150.0791-0.0250.2978-0.0629-0.01980.25540.01290.0190.1756-0.02570.179445.386317.987521.5474
184.7333-2.65386.0567.8146-1.8058.0927-0.0098-0.79870.2364-0.11120.3538-1.27820.0359-0.5792-0.24450.25060.10430.06130.3811-0.05750.285255.108916.527925.7244
197.8251-5.50426.27723.848-4.38425.021-0.5039-0.33020.47140.6608-0.3366-1.2710.22280.91670.75030.28410.1215-0.05160.577-0.0350.349953.122422.77340.0941
205.11870.1329-7.2894.17470.50651.9887-0.4624-1.0322-1.19930.20370.2157-0.2036-0.01212.0188-0.00910.1717-0.1345-0.05430.4909-0.04480.448356.859329.727431.6789
213.14570.3276-3.02232.5775-0.47683.01890.0488-0.37580.1614-0.0110.2079-0.0040.2990.3189-0.16750.20960.009-0.0230.1999-0.04390.186447.560522.620130.3927
228.60431.4006-5.81647.9967-2.91037.282-0.5550.0430.1181-1.5970.0191-0.8780.4605-0.1760.52030.4310.14710.0740.243-0.01150.233951.061714.764351.2652
234.8533-2.2157-0.18084.26520.79280.21810.58840.9936-0.2622-0.3182-0.21110.0510.39110.0889-0.25710.34960.1414-0.02750.3146-0.03170.249851.36986.958459.484
240.5167-0.4735-0.3120.8065-0.95982.8786-0.01690.0635-0.1428-0.14280.1746-0.02220.2282-0.0295-0.08510.18810.01250.01010.174-0.01240.22646.462718.092961.3187
250.42380.66460.03891.85451.17332.44730.1711-0.48410.0072-0.05350.2254-0.90980.19740.9662-0.04410.10550.07810.02030.4289-0.05250.36356.3318.322864.9465
266.64414.7476.56018.72162.96867.519-0.3888-0.4295-0.85480.69820.2853-0.937-0.01450.9948-0.00120.2626-0.0699-0.06040.529-0.05380.303853.392724.665879.0598
275.29116.1408-0.72357.74020.0621.66140.4063-0.3222-0.90330.7509-1.0197-0.7991-0.2484-0.10820.45030.2941-0.1196-0.10960.3759-0.00820.469156.478531.896470.8426
280.18180.3537-0.46980.947-0.73821.0281-0.03880.11860.1648-0.17570.1494-0.05440.07310.0384-0.0820.1415-0.0051-0.02620.2009-0.04640.188947.810823.114769.8731
293.95242.15893.25149.13485.76914.66171.04410.5262-0.4876-0.945-0.76480.6232-0.2155-1.2451-0.12270.3004-0.0691-0.12190.55780.03190.300226.340616.20851.6318
300.7317-0.9226-2.0156.62860.56546.8712-0.0450.9542-0.08810.01960.04650.9586-0.0789-1.6363-0.05270.1782-0.1161-0.010.61380.05380.372119.590119.779660.0297
312.45070.9662-2.52730.5388-0.32143.84770.15860.07050.3293-0.10130.21730.13920.0511-0.1606-0.3170.14730.0061-0.01080.17160.01680.203732.075718.061861.2876
321.71150.29661.26070.4264-0.60152.88790.35290.0771-0.63640.05760.18110.13820.2015-0.3651-0.39290.2986-0.1282-0.0050.21590.01530.344827.24959.551865.2302
334.3736-0.6403-0.49620.1210.02462.41-0.5916-0.0386-0.4318-0.21810.22660.52530.331-0.22960.33390.5835-0.01910.01040.1590.03830.278135.14938.941179.0791
341.1533-1.0382-0.26510.90280.15420.5837-0.18850.0547-0.52210.35240.05340.84070.3593-0.05340.09460.46150.01170.05020.10670.02930.322139.26322.51770.7852
350.8606-0.9950.27242.02842.65026.5630.24280.04410.0045-0.07910.0706-0.28850.1719-0.3066-0.27450.1773-0.00630.01510.17150.00960.196235.791714.558369.9235
368.3992-1.26665.63367.2736-5.44666.8333-0.80981.59840.75750.17730.45130.3254-0.70280.42090.3970.4812-0.08810.03410.25950.05510.216140.073336.667351.8858
377.78356.34481.09045.40420.67341.0368-0.77660.2011.045-0.6790.57020.6005-0.60940.26240.2080.3975-0.0634-0.02370.17390.00320.293346.651740.799860.107
380.32430.05760.86873.55790.12341.78160.0740.0291-0.16370.02460.0482-0.2771-0.1738-0.055-0.11830.16390.01030.02430.15640.00250.227439.116530.699261.4002
390.73440.34930.14170.2013-0.162.2367-0.248-0.00690.32030.52090.39790.2205-0.7175-0.0537-0.1250.46730.14460.0670.1913-0.00260.304534.283539.078865.5956
404.4825-1.5117-1.50564.9563-0.48762.0255-0.373-0.0754-0.02320.0516-0.6064-0.02120.2850.30.65420.33250.09450.00280.41380.02680.28730.581133.049779.5393
416.5138-0.9073-3.15662.16851.90713.1202-0.49290.3150.37290.0810.30320.5407-0.1015-0.38170.14750.24880.10740.10620.2892-0.00820.338622.775332.156271.5687
423.2522-1.18294.0380.4497-1.5374.97750.01020.0434-0.40340.06950.31620.2057-0.5266-0.0803-0.27910.1940.01940.06060.1717-0.01360.198134.218229.187570.0974
438.07631.79081.41368.6584-6.74026.2808-0.1191.18560.6744-0.27180.22270.3558-0.59470.36580.0420.4695-0.06420.04480.30980.02510.30930.968814.1093-0.7609
447.30614.73382.36743.56482.42312.8612-0.64580.04140.7971-0.96280.30850.1885-0.91530.29190.19840.4263-0.07370.00350.21710.01640.28627.602518.24287.3445
450.91491.07120.47571.384-0.06111.49540.24410.00490.10630.152-0.0238-0.0684-0.14090.0582-0.16730.2525-0.01950.01160.2274-0.01420.2675-0.13298.36368.7643
463.55981.4215-0.25690.5889-0.48645.39820.02250.12241.0791-0.04720.33390.2876-0.77170.3001-0.22120.63270.12610.02650.2225-0.06750.4032-4.960116.780212.7307
476.6008-5.0492-1.10977.4547-0.03920.7134-0.5292-0.0030.28411.3467-0.57170.24910.58890.17630.7770.59580.32960.06380.7899-0.06930.2572-9.125410.603726.7709
485.5309-1.7233-3.7940.54961.13612.5728-0.7198-1.65020.41720.34860.40780.35580.23270.50470.16090.34820.23090.10080.6486-0.13160.4415-16.97559.822818.5248
493.4111-1.75343.69061.6776-3.20226.1156-0.07490.188-0.26870.35220.27070.1824-1.11470.1702-0.21640.32810.02620.06760.251-0.04250.2265-4.93646.900817.5137
503.18873.30520.83848.4651-5.14527.4737-0.61460.28490.42790.3077-0.47470.3254-1.29921.10730.77010.69060.01790.09910.3180.14290.35833.000513.74138.49
511.85462.1806-0.00562.99740.08720.0079-0.82550.05160.2379-0.98840.7169-0.1456-0.09270.2480.10990.6498-0.13640.0780.47150.12930.418510.018516.911146.8846
521.11240.937-0.07371.9121-0.70870.52550.03220.33530.0918-0.45060.0985-0.0618-0.4880.4027-0.10390.4761-0.02690.05720.30390.07340.19171.21288.282448.0718
536.66950.80650.59310.63021.23682.806-0.73410.04471.11730.4060.99520.9504-1.32150.3485-0.13390.8420.03770.08880.17620.08910.3765-2.559717.325352.3158
542.629-3.5595-0.39178.44735.25696.2659-0.3931-0.62820.88841.2948-0.37030.0234-1.2381-0.23660.50570.69850.15290.0420.3470.03010.3766-6.992712.201366.4954
557.7672-4.2516-1.92086.0145-2.89317.1937-0.29170.20120.20650.6865-0.118-0.3581-2.1805-2.17740.19230.61830.42350.0160.6276-0.00290.318-14.764912.212458.1288
561.9352-0.59942.43680.9181-1.33287.2688-0.0314-0.0364-0.13580.21790.37640.0535-1.0874-0.3781-0.24820.3060.05940.0230.23310.02360.1736-4.19617.59256.6121
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1chain A and resid 1:8A1 - 8
2X-RAY DIFFRACTION2chain A and resid 13:19A13 - 19
3X-RAY DIFFRACTION3chain B and resid 4:18B4 - 18
4X-RAY DIFFRACTION4chain B and resid 23:27 or chain D and resid 23:27B0
5X-RAY DIFFRACTION5chain C and resid 1:8C1 - 8
6X-RAY DIFFRACTION6chain C and resid 13:19C13 - 19
7X-RAY DIFFRACTION7chain D and resid 4:18D4 - 18
8X-RAY DIFFRACTION8chain E and resid 1:8E1 - 8
9X-RAY DIFFRACTION9chain E and resid 13:19E13 - 19
10X-RAY DIFFRACTION10chain F and resid 4:18F4 - 18
11X-RAY DIFFRACTION11chain F and resid 23:27 or chain H and resid 23:27F0
12X-RAY DIFFRACTION12chain G and resid 1:8G1 - 8
13X-RAY DIFFRACTION13chain G and resid 13:19G13 - 19
14X-RAY DIFFRACTION14chain H and resid 4:18H4 - 18
15X-RAY DIFFRACTION15chain I and resid 1:8I1 - 8
16X-RAY DIFFRACTION16chain I and resid 13:19I13 - 19
17X-RAY DIFFRACTION17chain J and resid 4:18J4 - 18
18X-RAY DIFFRACTION18chain J and resid 23:27 or chain L and resid 23:27J0
19X-RAY DIFFRACTION19chain K and resid 1:8K1 - 8
20X-RAY DIFFRACTION20chain K and resid 13:19K13 - 19
21X-RAY DIFFRACTION21chain L and resid 4:18L4 - 18
22X-RAY DIFFRACTION22chain M and resid 1:8M1 - 8
23X-RAY DIFFRACTION23chain M and resid 13:19M13 - 19
24X-RAY DIFFRACTION24chain N and resid 4:18N4 - 18
25X-RAY DIFFRACTION25chain N and resid 23:27 or chain P and resid 23:27N0
26X-RAY DIFFRACTION26chain O and resid 1:8O1 - 8
27X-RAY DIFFRACTION27chain O and resid 13:19O13 - 19
28X-RAY DIFFRACTION28chain P and resid 4:18P4 - 18
29X-RAY DIFFRACTION29chain Q and resid 1:8Q1 - 8
30X-RAY DIFFRACTION30chain Q and resid 13:19Q13 - 19
31X-RAY DIFFRACTION31chain R and resid 4:18R4 - 18
32X-RAY DIFFRACTION32chain R and resid 23:27 or chain T and resid 23:27R0
33X-RAY DIFFRACTION33chain S and resid 1:8S1 - 8
34X-RAY DIFFRACTION34chain S and resid 13:19S13 - 19
35X-RAY DIFFRACTION35chain T and resid 4:18T4 - 18
36X-RAY DIFFRACTION36chain U and resid 1:8U1 - 8
37X-RAY DIFFRACTION37chain U and resid 13:19U13 - 19
38X-RAY DIFFRACTION38chain V and resid 4:18V4 - 18
39X-RAY DIFFRACTION39chain V and resid 23:27 or chain X and resid 23:27V0
40X-RAY DIFFRACTION40chain W and resid 1:8W1 - 8
41X-RAY DIFFRACTION41chain W and resid 13:19W13 - 19
42X-RAY DIFFRACTION42chain X and resid 4:18X4 - 18
43X-RAY DIFFRACTION43chain Y and resid 1:8Y1 - 8
44X-RAY DIFFRACTION44chain Y and resid 13:19Y13 - 19
45X-RAY DIFFRACTION45chain Z and resid 4:18Z4 - 18
46X-RAY DIFFRACTION46chain Z and resid 23:27 or chain 2 and resid 23:27Z0
47X-RAY DIFFRACTION47chain 1 and resid 1:811 - 8
48X-RAY DIFFRACTION48chain 1 and resid 13:19113 - 19
49X-RAY DIFFRACTION49chain 2 and resid 4:1824 - 18
50X-RAY DIFFRACTION50chain 3 and resid 1:831 - 8
51X-RAY DIFFRACTION51chain 3 and resid 13:19313 - 19
52X-RAY DIFFRACTION52chain 4 and resid 4:1844 - 18
53X-RAY DIFFRACTION53chain 4 and resid 23:27 or chain 6 and resid 23:2740
54X-RAY DIFFRACTION54chain 5 and resid 1:851 - 8
55X-RAY DIFFRACTION55chain 5 and resid 13:19513 - 19
56X-RAY DIFFRACTION56chain 6 and resid 4:1864 - 18

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