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BMRB: 4352

5EW5

Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Inhibitor-Bound DNase Domain of Colicin E9.

Authors

Whittaker, S.B.-M., Czisch, M., Wechselberger, R., Kaptein, R., Hemmings, A.M., James, R., Kleanthous, C., Moore, G.R.

Assembly

Inhibitor (Im9)-bound DNase domain of colicin E9

Entity

1. DNase domain of colicin E9 (polymer), 134 monomers, 15087.75 Da Detail

MESKRNKPGK ATGKGKPVGD KWLDDAGKDS GAPIPDRIAD KLRDKEFKSF DDFRKAVWEE VSKDPELSKN LNPSNKSSVS KGYSPFTPKN QQVGGRKVYE LHHDKPISQG GEVYDMDNIR VTTPKRHIDI HRGK

2. Immunity protein of colicin E9 (polymer), 86 monomers, 9582.414 Da Detail

MELKHSISDY TEAEFLQLVT TICNADTSSE EELVKLVTHF EEMTEHPSGS DLIYYPKEGD DDSPSGIVNT VKQWRAANGK SGFKQG

Total weight

24670.164 Da

Max. entity weight

15087.75 Da

Source organism

Escherichia coli

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 61.4 %, Completeness: 35.5 %, Completeness (bb): 56.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	35.5 % (908 of 2556)	31.0 % (418 of 1348)	37.2 % (366 of 983)	55.1 % (124 of 225)
Backbone	56.6 % (733 of 1294)	57.5 % (256 of 445)	55.1 % (354 of 642)	59.4 % (123 of 207)
Sidechain	18.9 % (276 of 1464)	18.2 % (164 of 903)	20.4 % (111 of 543)	5.6 % (1 of 18)
Aromatic	1.6 % (3 of 182)	2.2 % (2 of 91)	1.1 % (1 of 88)	0.0 % (0 of 3)
Methyl	9.7 % (17 of 176)	11.4 % (10 of 88)	8.0 % (7 of 88)

1. DNase domain of colicin E9

MESKRNKPGK ATGKGKPVGD KWLDDAGKDS GAPIPDRIAD KLRDKEFKSF DDFRKAVWEE VSKDPELSKN LNPSNKSSVS KGYSPFTPKN QQVGGRKVYE LHHDKPISQG GEVYDMDNIR VTTPKRHIDI HRGK

2. Immunity protein of colicin E9

MELKHSISDY TEAEFLQLVT TICNADTSSE EELVKLVTHF EEMTEHPSGS DLIYYPKEGD DDSPSGIVNT VKQWRAANGK SGFKQG

Show sample condition

Sample

Temperature 298 (±1) K, pH 6.2 (±0.2)

#	Name	Isotope labeling	Concentration
1	DNase domain of colicin E9	[U-99% 13C; U-99% 15N]	2.0 mM
2	Immunity protein of colicin E9		2.5 mM
3	Potassium_phosphate		50.0 mM
4	H20		90 %
5	D20		10 %
6	Sodium_azide		0.01 %

Chem. Shift Complete2

Sequence coverage: 24.5 %, Completeness: 25.2 %, Completeness (bb): 38.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	25.2 % (1287 of 5112)	22.4 % (603 of 2696)	26.1 % (513 of 1966)	38.0 % (171 of 450)
Backbone	38.6 % (1000 of 2588)	39.4 % (351 of 890)	37.3 % (479 of 1284)	41.1 % (170 of 414)
Sidechain	14.5 % (424 of 2928)	14.1 % (254 of 1806)	15.6 % (169 of 1086)	2.8 % (1 of 36)
Aromatic	0.8 % (3 of 364)	1.1 % (2 of 182)	0.6 % (1 of 176)	0.0 % (0 of 6)
Methyl	7.4 % (26 of 352)	9.1 % (16 of 176)	5.7 % (10 of 176)

1. DNase domain of colicin E9

MESKRNKPGK ATGKGKPVGD KWLDDAGKDS GAPIPDRIAD KLRDKEFKSF DDFRKAVWEE VSKDPELSKN LNPSNKSSVS KGYSPFTPKN QQVGGRKVYE LHHDKPISQG GEVYDMDNIR VTTPKRHIDI HRGK

2. Immunity protein of colicin E9

MELKHSISDY TEAEFLQLVT TICNADTSSE EELVKLVTHF EEMTEHPSGS DLIYYPKEGD DDSPSGIVNT VKQWRAANGK SGFKQG

Show sample condition

Sample

Temperature 298 (±1) K, pH 6.2 (±0.2)

#	Name	Isotope labeling	Concentration
1	DNase domain of colicin E9	[U-99% 13C; U-99% 15N]	2.0 mM
2	Immunity protein of colicin E9		2.5 mM
3	Potassium_phosphate		50.0 mM
4	H20		90 %
5	D20		10 %
6	Sodium_azide		0.01 %

Release date

1999-10-06

Citation 1

Slow Conformational Dynamics of an Endonuclease Persist in its Complex with its Natural Protein Inhibitor
Whittaker, S.B.-M., Czisch, M., Wechselberger, R., Kaptein, R., Hemmings, A.M., James, R., Kleanthous, C., Moore, G.R.
Protein Sci. (2000), 9, 713-720, PubMed , DOI:

Show more 3 citaions

Citation 2

NMRPipe: a multidimensional spectral processing system based on UNIX pipes
Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., Bax, A.
J. Biomol. NMR (1995), 6, 277-293, PubMed 8520220 , Abstract

Citation 3

Complete nucleotide sequence of the colicin E9 (cei) gene
Eaton, T., James, R.
Nucleic Acids Res. (1989), 17, 1761-1761, PubMed 2646600 , DOI: , Abstract

Citation 4

Nucleotide sequence of the immunity and lysis region of the ColE9-J plasmid
James, R., Jarvis, M., Barker, D.F.
J. Gen. Microbiol. (1987), 133, 1553-1562, PubMed 3312476 , DOI 10.1099/00221287-133-6-1553 , Abstract

Hide non-primary 3 citaions

Related entities 1. DNase domain of colicin E9, : 1 : 10 : 10 : 29 entities Detail

Related entities 2. Immunity protein of colicin E9, : 1 entities Detail

Interaction partners 1. DNase domain of colicin E9, : 4 interactors Detail

More details for 4 interactors identified by 4 citations

Experiments performed 6 experiments Detail

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4352_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: bmr4352_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_for_major_conformer_of_E9_DNase	Warning	854	99.3 (chain: 1, length: 134)
2	Assigned chemical shifts	assigned_chemical_shifts_for_minor_conformer_of_E9_DNase	Warning	194	26.9 (chain: 1, length: 134)
1	Chemical shift references	chemical_shift_reference_set_one	Warning	3	No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_for_major_conformer_of_E9_DNase
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 134, Sequence coverage: 99.3%
- Total number of assignments
  - ¹H chemical shifts: 384
  - ¹³C chemical shifts: 347
  - ¹⁵N chemical shifts: 123
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: assigned_chemical_shifts_for_minor_conformer_of_E9_DNase
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 134, Sequence coverage: 26.9%
- Total number of assignments
  - ¹³C chemical shifts: 73
  - ¹H chemical shifts: 88
  - ¹⁵N chemical shifts: 33
- Completeness of assignments
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
6	ASN	CG	176.98

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	846	376	44.4
¹³C chemical shifts	603	346	57.4
¹⁵N chemical shifts	143	123	86.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	270	252	93.3
¹³C chemical shifts	268	251	93.7
¹⁵N chemical shifts	124	122	98.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	576	124	21.5
¹³C chemical shifts	335	95	28.4
¹⁵N chemical shifts	19	1	5.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	49	4	8.2
¹³C chemical shifts	49	3	6.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	52	0	0.0
¹³C chemical shifts	50	0	0.0
¹⁵N chemical shifts	2	0	0.0

Keywords chemical exchange, colicin, EXSY, immunity protein

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Found 1 Document (1.175 seconds)

BMRB: 4352

Sample

Sample

Related entities 1. DNase domain of colicin E9, : 1 : 10 : 10 : 29 entities Detail

Related entities 2. Immunity protein of colicin E9, : 1 entities Detail

Interaction partners 1. DNase domain of colicin E9, : 4 interactors Detail

Experiments performed 6 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 5 contents Detail