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BMRB: 30079

5JTK

NMR structure of Uncharacterized protein from Pseudomonas aeruginosa PAO1

Authors

Barnwal, R.P., Varani, G., Seattle Structural Genomics Center for Infectious Disease (SSGCID), S.

Assembly

Uncharacterized protein

Entity

1. Uncharacterized protein (polymer, Thiol state: not present), 94 monomers, 10678.20 Da Detail

MTPIEYIDRA LALVVDRLAR YPGYEVLLSA EKQLQYIRSV LLDRSLDRSA LHRLTLGSIA VKEFDETDPE LSRALKDAYY VGIRTGRGLK VDLP

Formula weight

10678.2 Da

Source organism

Pseudomonas aeruginosa PAO1

Exptl. method

Refine. method

TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 90.9 %, Completeness (bb): 98.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.9 % (1004 of 1104)	87.3 % (500 of 573)	94.1 % (413 of 439)	98.9 % (91 of 92)
Backbone	98.6 % (548 of 556)	97.9 % (185 of 189)	98.6 % (273 of 277)	100.0 % (90 of 90)
Sidechain	85.4 % (544 of 637)	82.0 % (315 of 384)	90.8 % (228 of 251)	50.0 % (1 of 2)
Aromatic	74.2 % (46 of 62)	96.8 % (30 of 31)	51.6 % (16 of 31)
Methyl	93.4 % (127 of 136)	92.6 % (63 of 68)	94.1 % (64 of 68)

1. Uncharacterized protein

MTPIEYIDRA LALVVDRLAR YPGYEVLLSA EKQLQYIRSV LLDRSLDRSA LHRLTLGSIA VKEFDETDPE LSRALKDAYY VGIRTGRGLK VDLP

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.1 mM [U-98% 13C; U-98% 15N] Uncharacterized protein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Uncharacterized protein	[U-98% 13C; U-98% 15N]		1.1 mM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %
4	NaCl	natural abundance		100 mM
5	MES	natural abundance		20 mM

LACS Plot; CA

Referencing offset: 1.73 ppm, Outliers: 5 Detail

LACS Plot; CB

Referencing offset: 1.73 ppm, Outliers: 5 Detail

LACS Plot; HA

Referencing offset: 0.04 ppm, Outliers: 4 Detail

LACS Plot; CO

Referencing offset: -0.24 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 5JTK, Strand ID: A Detail

Release date

2016-06-08

Citation

NMR structure of Uncharacterized protein from Pseudomonas aeruginosa PAO1
Barnwal, R.P., Varani, G.

Related entities 1. Uncharacterized protein, : 1 : 2 : 3 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AvanceII - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.1 mM [U-98% 13C; U-98% 15N] Uncharacterized protein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Uncharacterized protein	[U-98% 13C; U-98% 15N]		1.1 mM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %
4	NaCl	natural abundance		100 mM
5	MES	natural abundance		20 mM

2 2D 1H-13C HSQC

Instrument

Bruker AvanceII - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.1 mM [U-98% 13C; U-98% 15N] Uncharacterized protein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Uncharacterized protein	[U-98% 13C; U-98% 15N]		1.1 mM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %
4	NaCl	natural abundance		100 mM
5	MES	natural abundance		20 mM

3 3D HNCO

Instrument

Bruker AvanceII - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.1 mM [U-98% 13C; U-98% 15N] Uncharacterized protein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Uncharacterized protein	[U-98% 13C; U-98% 15N]		1.1 mM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %
4	NaCl	natural abundance		100 mM
5	MES	natural abundance		20 mM

4 3D HNCACB

Instrument

Bruker AvanceII - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.1 mM [U-98% 13C; U-98% 15N] Uncharacterized protein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Uncharacterized protein	[U-98% 13C; U-98% 15N]		1.1 mM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %
4	NaCl	natural abundance		100 mM
5	MES	natural abundance		20 mM

5 3D CBCA(CO)NH

Instrument

Bruker AvanceII - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.1 mM [U-98% 13C; U-98% 15N] Uncharacterized protein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Uncharacterized protein	[U-98% 13C; U-98% 15N]		1.1 mM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %
4	NaCl	natural abundance		100 mM
5	MES	natural abundance		20 mM

6 3D H(CCO)NH

Instrument

Bruker AvanceII - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.1 mM [U-98% 13C; U-98% 15N] Uncharacterized protein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Uncharacterized protein	[U-98% 13C; U-98% 15N]		1.1 mM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %
4	NaCl	natural abundance		100 mM
5	MES	natural abundance		20 mM

7 3D HCCH-TOCSY

Instrument

Bruker AvanceII - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.1 mM [U-98% 13C; U-98% 15N] Uncharacterized protein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Uncharacterized protein	[U-98% 13C; U-98% 15N]		1.1 mM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %
4	NaCl	natural abundance		100 mM
5	MES	natural abundance		20 mM

8 3D 1H-13C NOESY

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.1 mM [U-98% 13C; U-98% 15N] Uncharacterized protein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Uncharacterized protein	[U-98% 13C; U-98% 15N]		1.1 mM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %
4	NaCl	natural abundance		100 mM
5	MES	natural abundance		20 mM

9 3D 1H-15N NOESY

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.1 mM [U-98% 13C; U-98% 15N] Uncharacterized protein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Uncharacterized protein	[U-98% 13C; U-98% 15N]		1.1 mM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %
4	NaCl	natural abundance		100 mM
5	MES	natural abundance		20 mM

10 3D HBHA(CO)NH

Instrument

Bruker AvanceII - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.1 mM [U-98% 13C; U-98% 15N] Uncharacterized protein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Uncharacterized protein	[U-98% 13C; U-98% 15N]		1.1 mM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %
4	NaCl	natural abundance		100 mM
5	MES	natural abundance		20 mM

11 2D 1H-1H NOESY

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.1 mM [U-98% 13C; U-98% 15N] Uncharacterized protein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Uncharacterized protein	[U-98% 13C; U-98% 15N]		1.1 mM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %
4	NaCl	natural abundance		100 mM
5	MES	natural abundance		20 mM

nullKeywords SSGCID, Seattle Structural Genomics Center for Infectious Disease, Structural Genomics