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BMRB: 15687

2K22

Automated NMR Structure of the TA0895 by FAPSY

Authors

Lee, W., Jung, J., Lee, W.

Assembly

TA0895

Entity

1. TA0895 (polymer, Thiol state: not present), 90 monomers, 10218.64 Da Detail

MVTVRYYATL RPITKKKEET FNGISKISEL LERLKVEYGS EFTKQMYDGN NLFKNVIILV NGNNITSMKG LDTEIKDDDK IDLFPPVAGG

Formula weight

10218.64 Da

Source organism

Thermoplasma acidophilum

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.8 %, Completeness: 74.1 %, Completeness (bb): 81.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	74.1 % (803 of 1083)	77.6 % (439 of 566)	66.4 % (280 of 422)	88.4 % (84 of 95)
Backbone	81.3 % (434 of 534)	95.7 % (176 of 184)	66.2 % (174 of 263)	96.6 % (84 of 87)
Sidechain	71.2 % (450 of 632)	68.8 % (263 of 382)	77.3 % (187 of 242)	0.0 % (0 of 8)
Aromatic	8.3 % (6 of 72)	16.7 % (6 of 36)	0.0 % (0 of 36)
Methyl	91.5 % (97 of 106)	88.7 % (47 of 53)	94.3 % (50 of 53)

1. TA0895

MVTVRYYATL RPITKKKEET FNGISKISEL LERLKVEYGS EFTKQMYDGN NLFKNVIILV NGNNITSMKG LDTEIKDDDK IDLFPPVAGG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	TA0895	[U-95% 13C; U-95% 15N]		1.5 mM

LACS Plot; CA

Referencing offset: -0.71 ppm, Outliers: 5 Detail

LACS Plot; CB

Referencing offset: -0.71 ppm, Outliers: 5 Detail

LACS Plot; HA

Referencing offset: 0.08 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K22, Strand ID: A Detail

Release date

2012-08-13

Citation

The Automated Suite for Protein Structure Determination by NMR Spectroscopy
Lee, W., Jung, J., Lee, W.

Related entities 1. TA0895, : 1 : 1 : 22 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	TA0895	[U-95% 13C; U-95% 15N]		1.5 mM

2 3D CBCA(CO)NH

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	TA0895	[U-95% 13C; U-95% 15N]		1.5 mM

3 3D HNCA

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	TA0895	[U-95% 13C; U-95% 15N]		1.5 mM

4 3D HNCACB

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	TA0895	[U-95% 13C; U-95% 15N]		1.5 mM

5 3D HBHA(CO)NH

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	TA0895	[U-95% 13C; U-95% 15N]		1.5 mM

6 3D 1H-13C NOESY

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	TA0895	[U-95% 13C; U-95% 15N]		1.5 mM

7 3D HCCH-TOCSY

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	TA0895	[U-95% 13C; U-95% 15N]		1.5 mM

8 3D 1H-15N NOESY

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	TA0895	[U-95% 13C; U-95% 15N]		1.5 mM

9 3D HNHA

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	TA0895	[U-95% 13C; U-95% 15N]		1.5 mM

10 3D H(CCO)NH

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	TA0895	[U-95% 13C; U-95% 15N]		1.5 mM

11 3D C(CO)NH

Instrument

Bruker DRX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	TA0895	[U-95% 13C; U-95% 15N]		1.5 mM

nullKeywords AUTOMATION, FAPSY, MOAD, MOLYBDOPTERIN