BMRBj - BMREntryMaster

Found 1 Document (1.209 seconds)

BMRB: 4116

1IMP

1H, 13C and 15N Chemical Shift Assignments of the Colicin E9 Immunity Protein from Escherichia coli

Authors

Boetzel, R., Czisch, M., MacDonald, C.J., Kaptein, R., Hemmings, A.M., James, R., Kleanthous, C., Moore, G.R.

Assembly

Im9 immunity protein

Entity

1. Im9 immunity protein (polymer), 86 monomers, 9582.414 Da Detail

MELKHSISDY TEAEFLQLVT TICNADTSSE EELVKLVTHF EEMTEHPSGS DLIYYPKEGD DDSPSGIVNT VKQWRAANGK SGFKQG

Formula weight

9582.414 Da

Source organism

Escherichia coli

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.7 %, Completeness: 79.6 %, Completeness (bb): 81.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.6 % (774 of 972)	87.8 % (441 of 502)	65.0 % (247 of 380)	95.6 % (86 of 90)
Backbone	81.4 % (415 of 510)	96.6 % (169 of 175)	65.5 % (165 of 252)	97.6 % (81 of 83)
Sidechain	80.3 % (435 of 542)	83.2 % (272 of 327)	76.0 % (158 of 208)	71.4 % (5 of 7)
Aromatic	30.8 % (24 of 78)	61.5 % (24 of 39)	0.0 % (0 of 38)	0.0 % (0 of 1)
Methyl	100.0 % (82 of 82)	100.0 % (41 of 41)	100.0 % (41 of 41)

1. Im9 immunity protein

MELKHSISDY TEAEFLQLVT TICNADTSSE EELVKLVTHF EEMTEHPSGS DLIYYPKEGD DDSPSGIVNT VKQWRAANGK SGFKQG

Show sample condition

Sample

Temperature 298 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	Im9 immunity protein	[U-100%15N; U-100%13C]	4.0 mM
2	H2O		90 %
3	D2O		10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	na	na	0.0 ppm	null	null	0.0
¹H	dioxane	methylene protons	3.77 ppm	internal	direct	0.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: 1.81 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	na	na	0.0 ppm	null	null	0.0
¹H	dioxane	methylene protons	3.77 ppm	internal	direct	0.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: 1.81 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	na	na	0.0 ppm	null	null	0.0
¹H	dioxane	methylene protons	3.77 ppm	internal	direct	0.0
¹⁵N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 1 Detail

Release date

1999-02-23

Citation

Assignment of 1H, 13C and 15N signals of the inhibitor protein Im9 bound to the DNase domain of colicin E9
Boetzel, R., Czisch, M., MacDonald, C.J., Kaptein, R., Hemmings, A.M., James, R., Kleanthous, C., Moore, G.R.
J. Biomol. NMR (1998), 12, 567-568, PubMed 9917143 , DOI: , Abstract

Related entities 1. Im9 immunity protein, : 1 : 11 : 2 : 5 : 32 entities Detail

Interaction partners 1. Im9 immunity protein, : 2 interactors Detail

More details for 2 interactors identified by 2 citations

Experiments performed 1 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4116_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: bmr4116_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chemical_shift_assignment_one	Warning	847		97.7 (chain: 1, length: 86)
1	Chemical shift references	chemical_shift_reference_one	OK	2		No information

Assigned chemical shifts

Saveframe: chemical_shift_assignment_one
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 86, Sequence coverage: 97.7%
- Total number of assignments
  - ¹H chemical shifts: 522
  - ¹⁵N chemical shifts: 86
  - ¹³C chemical shifts: 239
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
75	ARG	HH21	6.85
75	ARG	HH22	6.85

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	502	436	86.9
¹⁵N chemical shifts	91	86	94.5
¹³C chemical shifts	380	239	62.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	175	169	96.6
¹⁵N chemical shifts	83	81	97.6
¹³C chemical shifts	172	82	47.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	327	267	81.7
¹⁵N chemical shifts	8	5	62.5
¹³C chemical shifts	208	157	75.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	43	42	97.7
¹³C chemical shifts	43	42	97.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	39	24	61.5
¹⁵N chemical shifts	1	0	0.0
¹³C chemical shifts	38	0	0.0

Keywords colicin, immunity protein, NMR, nuclear magnetic resonance, protein, protein-protein interaction, resonance assignments, secondary structure

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Found 1 Document (1.209 seconds)

BMRB: 4116

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Im9 immunity protein, : 1 : 11 : 2 : 5 : 32 entities Detail

Interaction partners 1. Im9 immunity protein, : 2 interactors Detail

Experiments performed 1 experiments Detail

Instrument

Sample

Chemical shift validation 3 contents Detail