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Found 1 Document (0.361 seconds)

BMRB: 15503

1Y9T

Backbone 1H, 13C, and 15N Chemical Shift Assignments for MxiM(28-142)

Authors

Okon, M.S., Lario, P.I., Creagh, L., Jung, Y.M. T., Maurelli, A.T., Strynadka, N.C.J., McIntosh, L.P.

Assembly

MxiM(28-142)

Entity

1. MxiM(28-142) (polymer, Thiol state: all disulfide bound), 115 monomers, 12886.74 Da Detail

SSSNSEKEWH IVPVSKDYFS IPNDLLWSFN TTNKSINVYS KCISGKAVYS FNAGKFMGNF NVKEVDGCFM DAQKIAIDKL FSMLKDGVVL KGNKINDTIL IEKDGEVKLK LIRGI

Formula weight

12886.74 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS42:SG	1:CYS68:SG

Source organism

Shigella flexneri

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.4 %, Completeness: 32.9 %, Completeness (bb): 64.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	32.9 % (455 of 1382)	17.5 % (126 of 719)	41.5 % (223 of 537)	84.1 % (106 of 126)
Backbone	64.1 % (440 of 686)	47.5 % (112 of 236)	65.9 % (222 of 337)	93.8 % (106 of 113)
Sidechain	2.4 % (19 of 803)	2.9 % (14 of 483)	1.6 % (5 of 307)	0.0 % (0 of 13)
Aromatic	0.0 % (0 of 122)	0.0 % (0 of 61)	0.0 % (0 of 59)	0.0 % (0 of 2)
Methyl	4.8 % (6 of 126)	4.8 % (3 of 63)	4.8 % (3 of 63)

1. MxiM(28-142)

SSSNSEKEWH IVPVSKDYFS IPNDLLWSFN TTNKSINVYS KCISGKAVYS FNAGKFMGNF NVKEVDGCFM DAQKIAIDKL FSMLKDGVVL KGNKINDTIL IEKDGEVKLK LIRGI

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288 (±0.5) K, pH 6.5 (±0.1), Details 20 mM HEPES and 0.5 mM of dodecylmaltoside were present in solution.

#	Name	Isotope labeling	Concentration
1	MxiM(28-142)	[U-95% 13C; U-95% 15N]	0.3 -0.5 mM
2	HEPES	natural abundance	20 mM
3	dodecylmaltosid	natural abundance	0.5 mM
4	H2O	natural abundance	95 %
5	D2O		5 %

Release date

2008-10-30

Citation

Structural characterization of the type-III pilot-secretin complex from Shigella flexneri
Okon, M., Moraea, T.F., Lario, P.I., Creagh, L., Haynes, C.A., Strynadka, N.C.J., McIntosh, L.P.
Structure (2008), 16, 1544-1554, PubMed 18940609 , DOI 10.1016/j.str.2008.08.006 , Abstract

Related entities 1. MxiM(28-142), : 1 : 3 entities Detail

Interaction partners 1. MxiM(28-142), : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 5 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian Unity - 500 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 288 (±0.5) K, pH 6.5 (±0.1), Details 20 mM HEPES and 0.5 mM of dodecylmaltoside were present in solution.

#	Name	Isotope labeling	Concentration
1	MxiM(28-142)	[U-95% 13C; U-95% 15N]	0.3 -0.5 mM
2	HEPES	natural abundance	20 mM
3	dodecylmaltosid	natural abundance	0.5 mM
4	H2O	natural abundance	95 %
5	D2O		5 %

2 3D HNCO

Instrument

Varian Unity - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	MxiM(28-142)	[U-95% 13C; U-95% 15N]	0.3 -0.5 mM
2	HEPES	natural abundance	20 mM
3	dodecylmaltosid	natural abundance	0.5 mM
4	H2O	natural abundance	95 %
5	D2O		5 %

3 3D HNCA

Instrument

Varian Unity - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	MxiM(28-142)	[U-95% 13C; U-95% 15N]	0.3 -0.5 mM
2	HEPES	natural abundance	20 mM
3	dodecylmaltosid	natural abundance	0.5 mM
4	H2O	natural abundance	95 %
5	D2O		5 %

4 3D HN(CO)CA

Instrument

Varian Unity - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	MxiM(28-142)	[U-95% 13C; U-95% 15N]	0.3 -0.5 mM
2	HEPES	natural abundance	20 mM
3	dodecylmaltosid	natural abundance	0.5 mM
4	H2O	natural abundance	95 %
5	D2O		5 %

5 3D 1H-15N NOESY

Instrument

Varian Unity - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	MxiM(28-142)	[U-95% 13C; U-95% 15N]	0.3 -0.5 mM
2	HEPES	natural abundance	20 mM
3	dodecylmaltosid	natural abundance	0.5 mM
4	H2O	natural abundance	95 %
5	D2O		5 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15503_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	OK

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:42:CYS:SG	1:68:CYS:SG	unknown, CA 52.01 ppm	unknown, CA 58.54 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr15503_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	OK	426		96.5 (chain: 1, length: 115)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 115, Sequence coverage: 96.5%
- Total number of assignments
  - ¹³C chemical shifts: 216
  - ¹H chemical shifts: 105
  - ¹⁵N chemical shifts: 105
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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	537	216	40.2
¹H chemical shifts	719	105	14.6
¹⁵N chemical shifts	127	105	82.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	230	216	93.9
¹H chemical shifts	236	105	44.5
¹⁵N chemical shifts	113	105	92.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	307	0	0.0
¹H chemical shifts	483	0	0.0
¹⁵N chemical shifts	14	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	66	0	0.0
¹H chemical shifts	66	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	59	0	0.0
¹H chemical shifts	61	0	0.0
¹⁵N chemical shifts	2	0	0.0

Keywords Membrane proteins, NMR, Pilot protein, Protein structure, Proten-protein interaction, protein-protein interaction

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Found 1 Document (0.361 seconds)

BMRB: 15503

Sample

Related entities 1. MxiM(28-142), : 1 : 3 entities Detail

Interaction partners 1. MxiM(28-142), : 1 interactors Detail

Experiments performed 5 experiments Detail

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Chemical shift validation 3 contents Detail