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Found 1 Document (1.494 seconds)

BMRB: 4040

1JR5

Main-Chain NMR Assignments for AsiA

Authors

Urbauer, J.L., Adelman, K., Brody, E.N.

Assembly

Anti-sigma-A

Entity

1. Anti-sigma-A (polymer), 90 monomers, 10589.89 Da Detail

MNKNIDTVRE IITVASILIK FSREDIVENR ANFIAFLNEI GVTHEGRKLN QNSFRKIVSE LTQEDKKTLI DEFNEGFEGV YRYLEMYTNK

Formula weight

10589.89 Da

Source organism

Escherichia virus T4

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.7 %, Completeness: 48.7 %, Completeness (bb): 93.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	48.7 % (538 of 1104)	33.8 % (195 of 577)	60.6 % (258 of 426)	84.2 % (85 of 101)
Backbone	93.7 % (506 of 540)	92.4 % (170 of 184)	94.4 % (251 of 266)	94.4 % (85 of 90)
Sidechain	17.2 % (112 of 650)	6.6 % (26 of 393)	35.0 % (86 of 246)	0.0 % (0 of 11)
Aromatic	0.0 % (0 of 88)	0.0 % (0 of 44)	0.0 % (0 of 44)
Methyl	10.4 % (11 of 106)	9.4 % (5 of 53)	11.3 % (6 of 53)

1. Anti-sigma-A

MNKNIDTVRE IITVASILIK FSREDIVENR ANFIAFLNEI GVTHEGRKLN QNSFRKIVSE LTQEDKKTLI DEFNEGFEGV YRYLEMYTNK

Show sample condition

Sample #1

Temperature 298 (±0.1) K, pH 6.0 (±0.02), Details 600 uL NMR sample, 13C, 15N uniform labeling, 1.5 mM AsiA, pH 6.0

#	Name	Isotope labeling	Concentration
1	Anti-sigma-A	[U-99% 13C; U-99% 15N]	1.5 mM
2	potassium phosphate		50 mM
3	sodium azide		0.02 %
4	D2O		10.0 %
5	H2O		90.0 %

Sample #2

Temperature 298 (±0.1) K, pH 6.0 (±0.02), Details 600 uL NMR sample, 15N uniform labeling, 2.0 mM AsiA, pH 6.0

#	Name	Isotope labeling	Concentration
6	Anti-sigma-A	[U-99% 15N]	2.0 mM
7	potassium phosphate		50 mM
8	sodium azide		0.02 %
9	D2O		10.0 %
10	H2O		90.0 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	0.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: 2.4 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	0.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: 2.4 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	0.0
¹⁵N	DSS	methyl protons	external	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	external	indirect	0.2514495
¹H	DSS	methyl protons	external	direct	0.0
¹⁵N	DSS	methyl protons	external	indirect	0.1013291

Referencing offset: -0.27 ppm, Outliers: 2 Detail

Release date

1999-10-09

Citation 1

Main-chain NMR assignments for AsiA
Urbauer, J.L., Adelman, K., Brody, E.N.
J. Biomol. NMR (1997), 10, 205-206, PubMed 9369017 , DOI: , Abstract

Show more 1 citaion

Citation 2

1H, 13C and 15N chemical shift referencing in biomolecular NMR
Wishart, D.S., Bigam, C.G., Yao, J., Abildgaard, F., Dyson, H.J., Oldfield, E., Markley, J.L., Sykes, B.D.
J. Biomol. NMR (1995), 6, 135-140, PubMed 8589602 , DOI: , Abstract

Hide non-primary 1 citaion

Related entities 1. Anti-sigma-A, : 1 : 4 : 3 entities Detail

Interaction partners 1. Anti-sigma-A, : 3 interactors Detail

More details for 3 interactors identified by 1 citations

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4040_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: bmr4040_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_one	Warning	506		96.7 (chain: 1, length: 90)
1	Chemical shift references	chemical_shift_reference_one	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_one
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 90, Sequence coverage: 96.7%
- Total number of assignments
  - ¹³C chemical shifts: 251
  - ¹H chemical shifts: 170
  - ¹⁵N chemical shifts: 85
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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	426	251	58.9
¹H chemical shifts	577	170	29.5
¹⁵N chemical shifts	107	85	79.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	180	172	95.6
¹H chemical shifts	184	170	92.4
¹⁵N chemical shifts	90	85	94.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	246	79	32.1
¹H chemical shifts	393	0	0.0
¹⁵N chemical shifts	17	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	55	3	5.5
¹H chemical shifts	55	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	44	0	0.0
¹H chemical shifts	44	0	0.0

Keywords anti-sigma-A, AsiA, assignments, NMR

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Found 1 Document (1.494 seconds)

BMRB: 4040

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Anti-sigma-A, : 1 : 4 : 3 entities Detail

Interaction partners 1. Anti-sigma-A, : 3 interactors Detail

Chemical shift validation 3 contents Detail