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BMRB: 6743

2ADN

1H, 13C, 15N Chemical Shift Assignments for CcdA Conformer a, b, and c

Authors

Madl, T., VanMelderen, L., Oberer, M., Keller, W., Khatai, L., Zangger, K.

Assembly

CcdA conformer a, b, and c homodimers

Entity

1. CcdA conformer a, b, and c homodimers (polymer, Thiol state: not present), 72 monomers, 8400.344 × 6 Da Detail

MKQRITVTVD SDSYQLLKAY DVNISGLVST TMQNEARRLR AERWKVENQE GMVEVARFIE MNGSFADENK DW

Total weight

50402.062 Da

Max. entity weight

8400.344 Da

Source organism

Escherichia coli

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.4 %, Completeness: 83.6 %, Completeness (bb): 91.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.6 % (711 of 850)	83.1 % (369 of 444)	82.7 % (267 of 323)	90.4 % (75 of 83)
Backbone	91.4 % (395 of 432)	92.5 % (136 of 147)	90.1 % (192 of 213)	93.1 % (67 of 72)
Sidechain	77.6 % (378 of 487)	78.5 % (233 of 297)	76.0 % (136 of 179)	81.8 % (9 of 11)
Aromatic	80.0 % (48 of 60)	93.3 % (28 of 30)	64.3 % (18 of 28)	100.0 % (2 of 2)
Methyl	91.9 % (68 of 74)	94.6 % (35 of 37)	89.2 % (33 of 37)

1. CcdA conformer

MKQRITVTVD SDSYQLLKAY DVNISGLVST TMQNEARRLR AERWKVENQE GMVEVARFIE MNGSFADENK DW

Show sample condition

Sample

Temperature 298 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CcdA conformer a, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
2	CcdA conformer a, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
3	CcdA conformer b, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
4	CcdA conformer b, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
5	CcdA conformer C, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
6	CcdA conformer C, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
7	phosphate		buffer	20 mM

Protein Blocks Logo

Calculated from 1 models in PDB: 2ADN, Strand ID: A, B Detail

Release date

2006-10-18

Citation

Structural basis for nucleic acid and toxin recognition of the bacterial antitoxin CcdA
Madl, T., VanMelderen, L., Mine, N., Respondek, M., Oberer, M., Keller, W., Khatai, L., Zangger, K.
J. Mol. Biol. (2006), 364, 170-185, PubMed 17007877 , DOI 10.1016/j.jmb.2006.08.082 , Abstract

Related entities 1. CcdA conformer a, b, and c homodimers, : 1 : 3 : 6 entities Detail

Experiments performed 14 experiments Detail

1 2D NOESY

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Temperature 298 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CcdA conformer a, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
2	CcdA conformer a, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
3	CcdA conformer b, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
4	CcdA conformer b, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
5	CcdA conformer C, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
6	CcdA conformer C, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
7	phosphate		buffer	20 mM

2 3D HNCACB

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Temperature 298 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CcdA conformer a, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
2	CcdA conformer a, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
3	CcdA conformer b, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
4	CcdA conformer b, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
5	CcdA conformer C, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
6	CcdA conformer C, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
7	phosphate		buffer	20 mM

3 3D HNCA

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Temperature 298 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CcdA conformer a, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
2	CcdA conformer a, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
3	CcdA conformer b, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
4	CcdA conformer b, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
5	CcdA conformer C, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
6	CcdA conformer C, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
7	phosphate		buffer	20 mM

4 3D HN(CO)CA

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Temperature 298 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CcdA conformer a, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
2	CcdA conformer a, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
3	CcdA conformer b, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
4	CcdA conformer b, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
5	CcdA conformer C, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
6	CcdA conformer C, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
7	phosphate		buffer	20 mM

5 3D HN(CA)CO

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Temperature 298 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CcdA conformer a, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
2	CcdA conformer a, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
3	CcdA conformer b, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
4	CcdA conformer b, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
5	CcdA conformer C, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
6	CcdA conformer C, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
7	phosphate		buffer	20 mM

6 3D HNHA

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Temperature 298 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CcdA conformer a, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
2	CcdA conformer a, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
3	CcdA conformer b, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
4	CcdA conformer b, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
5	CcdA conformer C, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
6	CcdA conformer C, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
7	phosphate		buffer	20 mM

7 3D HNCO

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Temperature 298 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CcdA conformer a, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
2	CcdA conformer a, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
3	CcdA conformer b, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
4	CcdA conformer b, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
5	CcdA conformer C, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
6	CcdA conformer C, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
7	phosphate		buffer	20 mM

8 15N-edited TOCSY-HSQC

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Temperature 298 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CcdA conformer a, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
2	CcdA conformer a, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
3	CcdA conformer b, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
4	CcdA conformer b, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
5	CcdA conformer C, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
6	CcdA conformer C, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
7	phosphate		buffer	20 mM

9 3D HCCH-TOCSY

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Temperature 298 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CcdA conformer a, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
2	CcdA conformer a, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
3	CcdA conformer b, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
4	CcdA conformer b, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
5	CcdA conformer C, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
6	CcdA conformer C, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
7	phosphate		buffer	20 mM

10 3D HCCH-TOCSY-NNH

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Temperature 298 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CcdA conformer a, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
2	CcdA conformer a, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
3	CcdA conformer b, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
4	CcdA conformer b, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
5	CcdA conformer C, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
6	CcdA conformer C, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
7	phosphate		buffer	20 mM

11 3D CCH-TOCSY-NNH

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Temperature 298 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CcdA conformer a, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
2	CcdA conformer a, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
3	CcdA conformer b, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
4	CcdA conformer b, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
5	CcdA conformer C, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
6	CcdA conformer C, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
7	phosphate		buffer	20 mM

12 15N-edited 3D NOESY-HSQC

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Temperature 298 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CcdA conformer a, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
2	CcdA conformer a, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
3	CcdA conformer b, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
4	CcdA conformer b, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
5	CcdA conformer C, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
6	CcdA conformer C, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
7	phosphate		buffer	20 mM

13 13C-edited 3D NOESY-HSQC

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Temperature 298 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CcdA conformer a, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
2	CcdA conformer a, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
3	CcdA conformer b, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
4	CcdA conformer b, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
5	CcdA conformer C, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
6	CcdA conformer C, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
7	phosphate		buffer	20 mM

14 15N,13C-edited, 15N,13C-filtered NOESY-HSQC

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Temperature 298 (±0.1) K, pH 7.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	CcdA conformer a, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
2	CcdA conformer a, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
3	CcdA conformer b, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
4	CcdA conformer b, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
5	CcdA conformer C, chain 1	[U-95% 13C; U-90% 15N]	protein	0.5 mM
6	CcdA conformer C, chain 2	[U-95% 13C; U-90% 15N]	protein	0.5 mM
7	phosphate		buffer	20 mM

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