BMRBj - BMREntryMaster

Found 1 Document (1.345 seconds)

BMRB: 6571

1DU2

Chemical Shift Assignments for the theta subunit of DNA polymerase III from E. coli

Authors

Mueller, G.A., Kirby, T.W., DeRose, E.F., Li, D., Schaaper, R.M., London, R.E.

Assembly

theta

Entity

1. theta (polymer, Thiol state: not present), 76 monomers, 8846.181 Da Detail

MLKNLAKLDQ TEMDKVNVDL AAAGVAFKER YNMPVIAEAV EREQPEHLRS WFRERLIAHR LASVNLSRLP YEPKLK

Formula weight

8846.181 Da

Source organism

Escherichia coli

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 90.8 %, Completeness: 72.5 %, Completeness (bb): 86.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	72.5 % (671 of 926)	67.4 % (329 of 488)	75.8 % (272 of 359)	88.6 % (70 of 79)
Backbone	86.6 % (388 of 448)	86.6 % (129 of 149)	85.9 % (195 of 227)	88.9 % (64 of 72)
Sidechain	63.5 % (351 of 553)	59.0 % (200 of 339)	70.0 % (145 of 207)	85.7 % (6 of 7)
Aromatic	57.1 % (32 of 56)	57.1 % (16 of 28)	55.6 % (15 of 27)	100.0 % (1 of 1)
Methyl	70.7 % (65 of 92)	73.9 % (34 of 46)	67.4 % (31 of 46)

1. theta

MLKNLAKLDQ TEMDKVNVDL AAAGVAFKER YNMPVIAEAV EREQPEHLRS WFRERLIAHR LASVNLSRLP YEPKLK

Show sample condition

Sample

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
1	theta	600 uM
2	d3-methanol	40 v/v
3	H20	100 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	indirect	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.09 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	indirect	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.09 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	indirect	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.08 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	indirect	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.25 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2AE9, Strand ID: A Detail

Release date

2005-10-16

Citation

Nuclear magnetic resonance solution structure of the Escherichia coli DNA polymerase III theta subunit
Mueller, G.A., Kirby, T.W., DeRose, E.F., Li, D., Schaaper, R.M., London, R.E.
J. Bacteriol. (2005), 187, 7081-7089, PubMed 16199579 , DOI 10.1128/JB.187.20.7081-7089.2005 , Abstract

Related entities 1. theta, : 1 : 5 : 3 entities Detail

Experiments performed 13 experiments Detail

1 1H15N_HSQC (example)

Instrument

#1 Model Varian INOVA (500 MHz) Details Crogenically cooled probe

#2 Model Varian INOVA (800 MHz) Details Room Temperature Probe

Sample #1

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
1	theta	600 uM
2	d3-methanol	40 v/v
3	H20	100 %

Sample #2

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
4	theta	600 uM
5	d3-methanol	40 v/v
6	D20	100 %

2 HNCA

Instrument

#1 Model Varian INOVA (500 MHz) Details Crogenically cooled probe

#2 Model Varian INOVA (800 MHz) Details Room Temperature Probe

Sample #1

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
1	theta	600 uM
2	d3-methanol	40 v/v
3	H20	100 %

Sample #2

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
4	theta	600 uM
5	d3-methanol	40 v/v
6	D20	100 %

3 HNCACB

Instrument

#1 Model Varian INOVA (500 MHz) Details Crogenically cooled probe

#2 Model Varian INOVA (800 MHz) Details Room Temperature Probe

Sample #1

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
1	theta	600 uM
2	d3-methanol	40 v/v
3	H20	100 %

Sample #2

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
4	theta	600 uM
5	d3-methanol	40 v/v
6	D20	100 %

4 CBCACONH

Instrument

#1 Model Varian INOVA (500 MHz) Details Crogenically cooled probe

#2 Model Varian INOVA (800 MHz) Details Room Temperature Probe

Sample #1

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
1	theta	600 uM
2	d3-methanol	40 v/v
3	H20	100 %

Sample #2

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
4	theta	600 uM
5	d3-methanol	40 v/v
6	D20	100 %

5 HNCO

Instrument

#1 Model Varian INOVA (500 MHz) Details Crogenically cooled probe

#2 Model Varian INOVA (800 MHz) Details Room Temperature Probe

Sample #1

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
1	theta	600 uM
2	d3-methanol	40 v/v
3	H20	100 %

Sample #2

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
4	theta	600 uM
5	d3-methanol	40 v/v
6	D20	100 %

6 HCCH-tocsy

Instrument

#1 Model Varian INOVA (500 MHz) Details Crogenically cooled probe

#2 Model Varian INOVA (800 MHz) Details Room Temperature Probe

Sample #1

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
1	theta	600 uM
2	d3-methanol	40 v/v
3	H20	100 %

Sample #2

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
4	theta	600 uM
5	d3-methanol	40 v/v
6	D20	100 %

7 3D 15N-edited NOESY

Instrument

#1 Model Varian INOVA (500 MHz) Details Crogenically cooled probe

#2 Model Varian INOVA (800 MHz) Details Room Temperature Probe

Sample #1

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
1	theta	600 uM
2	d3-methanol	40 v/v
3	H20	100 %

Sample #2

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
4	theta	600 uM
5	d3-methanol	40 v/v
6	D20	100 %

8 3d 13C-edited NOESY

Instrument

#1 Model Varian INOVA (500 MHz) Details Crogenically cooled probe

#2 Model Varian INOVA (800 MHz) Details Room Temperature Probe

Sample #1

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
1	theta	600 uM
2	d3-methanol	40 v/v
3	H20	100 %

Sample #2

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
4	theta	600 uM
5	d3-methanol	40 v/v
6	D20	100 %

9 (HB)CB(CGCD)HD

Instrument

#1 Model Varian INOVA (500 MHz) Details Crogenically cooled probe

#2 Model Varian INOVA (800 MHz) Details Room Temperature Probe

Sample #1

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
1	theta	600 uM
2	d3-methanol	40 v/v
3	H20	100 %

Sample #2

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
4	theta	600 uM
5	d3-methanol	40 v/v
6	D20	100 %

10 (HB)CB(CGCDCE)HE

Instrument

#1 Model Varian INOVA (500 MHz) Details Crogenically cooled probe

#2 Model Varian INOVA (800 MHz) Details Room Temperature Probe

Sample #1

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
1	theta	600 uM
2	d3-methanol	40 v/v
3	H20	100 %

Sample #2

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
4	theta	600 uM
5	d3-methanol	40 v/v
6	D20	100 %

11 1H-13C HSQC

Instrument

#1 Model Varian INOVA (500 MHz) Details Crogenically cooled probe

#2 Model Varian INOVA (800 MHz) Details Room Temperature Probe

Sample #1

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
1	theta	600 uM
2	d3-methanol	40 v/v
3	H20	100 %

Sample #2

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
4	theta	600 uM
5	d3-methanol	40 v/v
6	D20	100 %

12 H(CCO)NH-TOCSY

Instrument

#1 Model Varian INOVA (500 MHz) Details Crogenically cooled probe

#2 Model Varian INOVA (800 MHz) Details Room Temperature Probe

Sample #1

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
1	theta	600 uM
2	d3-methanol	40 v/v
3	H20	100 %

Sample #2

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
4	theta	600 uM
5	d3-methanol	40 v/v
6	D20	100 %

13 (H)C(CO)NH-TOCSY

Instrument

#1 Model Varian INOVA (500 MHz) Details Crogenically cooled probe

#2 Model Varian INOVA (800 MHz) Details Room Temperature Probe

Sample #1

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
1	theta	600 uM
2	d3-methanol	40 v/v
3	H20	100 %

Sample #2

Temperature 298 (±0.1) K, pH 7 (±0.1)

#	Name	Concentration
4	theta	600 uM
5	d3-methanol	40 v/v
6	D20	100 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr6571_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr6571_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	736		89.5 (chain: 1, length: 76)
1	Chemical shift references	chemical_shift_referencing	OK	3		No information

Assigned chemical shifts

Saveframe: chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 76, Sequence coverage: 89.5%
- Total number of assignments
  - ¹H chemical shifts: 397
  - ¹³C chemical shifts: 270
  - ¹⁵N chemical shifts: 69
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	149	131	87.9
¹³C chemical shifts	152	126	82.9
¹⁵N chemical shifts	72	63	87.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	488	329	67.4
¹³C chemical shifts	359	270	75.2
¹⁵N chemical shifts	86	69	80.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	339	198	58.4
¹³C chemical shifts	207	144	69.6
¹⁵N chemical shifts	14	6	42.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	28	16	57.1
¹³C chemical shifts	27	15	55.6
¹⁵N chemical shifts	1	1	100.0

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Found 1 Document (1.345 seconds)

BMRB: 6571

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. theta, : 1 : 5 : 3 entities Detail

Experiments performed 13 experiments Detail

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Chemical shift validation 3 contents Detail