BMRBj - BMREntryMaster

Found 1 Document (1.776 seconds)

BMRB: 4326

1DK3

Complete 1H, 13C, and 15N Chemical Shift Assignments for the N-terminal Domain of DNA Polymerase B (residues 2-87).

Authors

Liu, D., DeRose, E.F., Prasad, R., Wilson, S.H., Mullen, G.P.

Assembly

N-Terminal Domain of DNA Polymerase B

Entity

1. N-Terminal Domain of DNA Polymerase B (polymer), 87 monomers, 9612.135 Da Detail

MSKRKAPQET LNGGITDMLV ELANFEKNVS QAIHKYNAYR KAASVIAKYP HKIKSGAEAK KLPGVGTKIA EKIDEFLATG KLRKLEK

Formula weight

9612.135 Da

Source organism

Rattus norvegicus

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.4 %, Completeness (bb): 91.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.4 % (900 of 1042)	91.3 % (502 of 550)	78.1 % (314 of 402)	93.3 % (84 of 90)
Backbone	91.7 % (473 of 516)	95.5 % (169 of 177)	88.6 % (226 of 255)	92.9 % (78 of 84)
Sidechain	81.5 % (495 of 607)	89.3 % (333 of 373)	68.4 % (156 of 228)	100.0 % (6 of 6)
Aromatic	48.1 % (25 of 52)	96.2 % (25 of 26)	0.0 % (0 of 26)
Methyl	98.0 % (96 of 98)	100.0 % (49 of 49)	95.9 % (47 of 49)

1. DNA Polymerase B

MSKRKAPQET LNGGITDMLV ELANFEKNVS QAIHKYNAYR KAASVIAKYP HKIKSGAEAK KLPGVGTKIA EKIDEFLATG KLRKLEK

Show sample condition

Sample #1

Temperature 298 (±0.5) K, pH 6.7 (±0.15), Details After purification the sample was eluted from a Sephadex G15 column (18 x 1.0 cm) with 5 mM Tris-d11, pH 7.5, 400 mM NaCl. Prior to performing NMR expeiments the pH was adjusted to 6.7.

#	Name	Isotope labeling	Concentration
1	DNA Polymerase B	[U-100% 13C; U-100% 15N]	2.8 mM
2	Tris-d11		5 mM
3	NaCl		400 mM

Sample #2

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Isotope labeling	Concentration
4	DNA Polymerase B	[U-100% 15N]	4.7 mM
5	Tris-d11		5 mM
6	NaCl		400 mM

Sample #3

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Concentration
7	DNA Polymerase B	1.4 mM
8	Tris-d11	5 mM
9	NaCl	400 mM

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	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.32 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	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.32 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	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.07 ppm, Outliers: 2 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	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.37 ppm, Outliers: 1 Detail

Release date

1999-05-18

Citation

Assignments of 1H, 15N, and 13C Resonances for the Backbone and Side Chains of the N-Terminal Domain of DNA Polymerase B. Determination of the Secondary Structure and Tertiary Contacts
Liu, D., DeRose, E.F., Prasad, R., Wilson, S.H., Mullen, G.P.
Biochemistry (1994), 33, 9537-9545

Related entities 1. N-Terminal Domain of DNA Polymerase B, : 1 : 16 : 89 : 28 entities Detail

Interaction partners 1. N-Terminal Domain of DNA Polymerase B, : 2 interactors Detail

More details for 2 interactors identified by 2 citations

Experiments performed 12 experiments Detail

1 2D 1H-1H NOESY

Instrument

Model GE GN-500 (500 MHz)

Sample #1

#	Name	Isotope labeling	Concentration
1	DNA Polymerase B	[U-100% 13C; U-100% 15N]	2.8 mM
2	Tris-d11		5 mM
3	NaCl		400 mM

Sample #2

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Isotope labeling	Concentration
4	DNA Polymerase B	[U-100% 15N]	4.7 mM
5	Tris-d11		5 mM
6	NaCl		400 mM

Sample #3

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Concentration
7	DNA Polymerase B	1.4 mM
8	Tris-d11	5 mM
9	NaCl	400 mM

2 2D 1H-1H TOCSY

Instrument

Model GE GN-500 (500 MHz)

Sample #1

#	Name	Isotope labeling	Concentration
1	DNA Polymerase B	[U-100% 13C; U-100% 15N]	2.8 mM
2	Tris-d11		5 mM
3	NaCl		400 mM

Sample #2

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Isotope labeling	Concentration
4	DNA Polymerase B	[U-100% 15N]	4.7 mM
5	Tris-d11		5 mM
6	NaCl		400 mM

Sample #3

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Concentration
7	DNA Polymerase B	1.4 mM
8	Tris-d11	5 mM
9	NaCl	400 mM

3 2D 1H-1H DQF-COSY

Instrument

Model GE GN-500 (500 MHz)

Sample #1

#	Name	Isotope labeling	Concentration
1	DNA Polymerase B	[U-100% 13C; U-100% 15N]	2.8 mM
2	Tris-d11		5 mM
3	NaCl		400 mM

Sample #2

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Isotope labeling	Concentration
4	DNA Polymerase B	[U-100% 15N]	4.7 mM
5	Tris-d11		5 mM
6	NaCl		400 mM

Sample #3

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Concentration
7	DNA Polymerase B	1.4 mM
8	Tris-d11	5 mM
9	NaCl	400 mM

4 2D 1H-15N HMQC

Instrument

Model GE GN-500 (500 MHz)

Sample #1

#	Name	Isotope labeling	Concentration
1	DNA Polymerase B	[U-100% 13C; U-100% 15N]	2.8 mM
2	Tris-d11		5 mM
3	NaCl		400 mM

Sample #2

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Isotope labeling	Concentration
4	DNA Polymerase B	[U-100% 15N]	4.7 mM
5	Tris-d11		5 mM
6	NaCl		400 mM

Sample #3

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Concentration
7	DNA Polymerase B	1.4 mM
8	Tris-d11	5 mM
9	NaCl	400 mM

5 2D 1H-15N HMQC-J

Instrument

Model GE GN-500 (500 MHz)

Sample #1

#	Name	Isotope labeling	Concentration
1	DNA Polymerase B	[U-100% 13C; U-100% 15N]	2.8 mM
2	Tris-d11		5 mM
3	NaCl		400 mM

Sample #2

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Isotope labeling	Concentration
4	DNA Polymerase B	[U-100% 15N]	4.7 mM
5	Tris-d11		5 mM
6	NaCl		400 mM

Sample #3

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Concentration
7	DNA Polymerase B	1.4 mM
8	Tris-d11	5 mM
9	NaCl	400 mM

6 3D 1H-15N-1H NOESY-HMQC

Instrument

Model GE GN-500 (500 MHz)

Sample #1

#	Name	Isotope labeling	Concentration
1	DNA Polymerase B	[U-100% 13C; U-100% 15N]	2.8 mM
2	Tris-d11		5 mM
3	NaCl		400 mM

Sample #2

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Isotope labeling	Concentration
4	DNA Polymerase B	[U-100% 15N]	4.7 mM
5	Tris-d11		5 mM
6	NaCl		400 mM

Sample #3

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Concentration
7	DNA Polymerase B	1.4 mM
8	Tris-d11	5 mM
9	NaCl	400 mM

7 3D 1H-15N-1H TOCSY-HMQC

Instrument

Model GE GN-500 (500 MHz)

Sample #1

#	Name	Isotope labeling	Concentration
1	DNA Polymerase B	[U-100% 13C; U-100% 15N]	2.8 mM
2	Tris-d11		5 mM
3	NaCl		400 mM

Sample #2

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Isotope labeling	Concentration
4	DNA Polymerase B	[U-100% 15N]	4.7 mM
5	Tris-d11		5 mM
6	NaCl		400 mM

Sample #3

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Concentration
7	DNA Polymerase B	1.4 mM
8	Tris-d11	5 mM
9	NaCl	400 mM

8 3D 1H-13C-1H TOCSY-HMQC

Instrument

Model GE GN-500 (500 MHz)

Sample #1

#	Name	Isotope labeling	Concentration
1	DNA Polymerase B	[U-100% 13C; U-100% 15N]	2.8 mM
2	Tris-d11		5 mM
3	NaCl		400 mM

Sample #2

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Isotope labeling	Concentration
4	DNA Polymerase B	[U-100% 15N]	4.7 mM
5	Tris-d11		5 mM
6	NaCl		400 mM

Sample #3

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Concentration
7	DNA Polymerase B	1.4 mM
8	Tris-d11	5 mM
9	NaCl	400 mM

9 3D HNCA

Instrument

Model GE GN-500 (500 MHz)

Sample #1

#	Name	Isotope labeling	Concentration
1	DNA Polymerase B	[U-100% 13C; U-100% 15N]	2.8 mM
2	Tris-d11		5 mM
3	NaCl		400 mM

Sample #2

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Isotope labeling	Concentration
4	DNA Polymerase B	[U-100% 15N]	4.7 mM
5	Tris-d11		5 mM
6	NaCl		400 mM

Sample #3

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Concentration
7	DNA Polymerase B	1.4 mM
8	Tris-d11	5 mM
9	NaCl	400 mM

10 3D HN(CO)CA

Instrument

Model GE GN-500 (500 MHz)

Sample #1

#	Name	Isotope labeling	Concentration
1	DNA Polymerase B	[U-100% 13C; U-100% 15N]	2.8 mM
2	Tris-d11		5 mM
3	NaCl		400 mM

Sample #2

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Isotope labeling	Concentration
4	DNA Polymerase B	[U-100% 15N]	4.7 mM
5	Tris-d11		5 mM
6	NaCl		400 mM

Sample #3

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Concentration
7	DNA Polymerase B	1.4 mM
8	Tris-d11	5 mM
9	NaCl	400 mM

11 3D HNCO

Instrument

Model GE GN-500 (500 MHz)

Sample #1

#	Name	Isotope labeling	Concentration
1	DNA Polymerase B	[U-100% 13C; U-100% 15N]	2.8 mM
2	Tris-d11		5 mM
3	NaCl		400 mM

Sample #2

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Isotope labeling	Concentration
4	DNA Polymerase B	[U-100% 15N]	4.7 mM
5	Tris-d11		5 mM
6	NaCl		400 mM

Sample #3

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Concentration
7	DNA Polymerase B	1.4 mM
8	Tris-d11	5 mM
9	NaCl	400 mM

12 3D 1H-13C-1H NOESY-HMQC

Instrument

Model GE GN-500 (500 MHz)

Sample #1

#	Name	Isotope labeling	Concentration
1	DNA Polymerase B	[U-100% 13C; U-100% 15N]	2.8 mM
2	Tris-d11		5 mM
3	NaCl		400 mM

Sample #2

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Isotope labeling	Concentration
4	DNA Polymerase B	[U-100% 15N]	4.7 mM
5	Tris-d11		5 mM
6	NaCl		400 mM

Sample #3

Temperature 298 (±0.5) K, pH 6.7 (±0.15)

#	Name	Concentration
7	DNA Polymerase B	1.4 mM
8	Tris-d11	5 mM
9	NaCl	400 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4326_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	OK

Disulfide bonds

None

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

None

Non-standard residues

None

Content subtype: bmr4326_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts	OK	993		98.9 (chain: 1, length: 87)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 87, Sequence coverage: 98.9%
- Total number of assignments
  - ¹³C chemical shifts: 312
  - ¹H chemical shifts: 598
  - ¹⁵N chemical shifts: 83
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- 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 (%)
¹³C chemical shifts	228	154	67.5
¹H chemical shifts	373	330	88.5
¹⁵N chemical shifts	9	6	66.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	402	312	77.6
¹H chemical shifts	550	498	90.5
¹⁵N chemical shifts	93	83	89.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	174	158	90.8
¹H chemical shifts	177	168	94.9
¹⁵N chemical shifts	84	77	91.7

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Found 1 Document (1.776 seconds)

BMRB: 4326

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. N-Terminal Domain of DNA Polymerase B, : 1 : 16 : 89 : 28 entities Detail

Interaction partners 1. N-Terminal Domain of DNA Polymerase B, : 2 interactors Detail

Experiments performed 12 experiments Detail

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