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Found 1 Document (0.548 seconds)

BMRB: 15473

2K1F

Backbone 1H, 13C, and 15N Chemical Shift Assignments for 8M Urea Denatured State of dSUMO-3(dSMT3)

Authors

Kumar, D., Misra, J.RANJAN., Chugh, J., Sharma, S.

Assembly

dSUMO

Entity

1. dSUMO (polymer, Thiol state: all free), 90 monomers, 10100.22 Da Detail

GSMSDEKKGG ETEHINLKVL GQDNAVVQFK IKKHTPLRKL MNAYCDRAGL SMQVVRFRFD GQPINENDTP TSLEMEEGDT IEVYQQQTGG

Formula weight

10100.22 Da

Source organism

Drosophila melanogaster

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 68.2 %, Completeness (bb): 97.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	68.2 % (710 of 1041)	65.0 % (356 of 548)	67.5 % (266 of 394)	88.9 % (88 of 99)
Backbone	97.6 % (521 of 534)	93.5 % (174 of 186)	99.6 % (260 of 261)	100.0 % (87 of 87)
Sidechain	45.9 % (270 of 588)	50.3 % (182 of 362)	40.7 % (87 of 214)	8.3 % (1 of 12)
Aromatic	0.0 % (0 of 54)	0.0 % (0 of 27)	0.0 % (0 of 27)
Methyl	40.2 % (33 of 82)	68.3 % (28 of 41)	12.2 % (5 of 41)

1. dSUMO

GSMSDEKKGG ETEHINLKVL GQDNAVVQFK IKKHTPLRKL MNAYCDRAGL SMQVVRFRFD GQPINENDTP TSLEMEEGDT IEVYQQQTGG

Show sample condition

Sample

Pressure 1 atm, Temperature 300 K, pH 5.7

#	Name	Isotope labeling	Type	Concentration
1	dSUMO	[U-99% 13C; U-99% 15N]		1 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.17 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.17 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.24 ppm, Outliers: 2 Detail

Release date

2007-09-18

Citation

1H, 15N, 13C resonance assignment of folded and 8 M urea-denatured state of SUMO from Drosophila melanogaster
Kumar, D., Kumar, A., Misra, J., Chugh, J., Sharma, S., Hosur, R.V.
Biomol. NMR Assign. (2008), 2, 13-15, PubMed 19636913 , DOI 10.1007/s12104-007-9072-6 , Abstract

Related entities 1. dSUMO, : 1 : 1 : 215 entities Detail

Experiments performed 8 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15473_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: bmr15473_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	761		100.0 (chain: 1, length: 90)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 90, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 410
  - ¹³C chemical shifts: 261
  - ¹⁵N chemical shifts: 90
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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)
36	PRO	N	120.3
63	PRO	N	123.3
70	PRO	N	120.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	548	354	64.6
¹³C chemical shifts	394	261	66.2
¹⁵N chemical shifts	103	87	84.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	186	177	95.2
¹³C chemical shifts	180	180	100.0
¹⁵N chemical shifts	87	87	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	362	177	48.9
¹³C chemical shifts	214	81	37.9
¹⁵N chemical shifts	16	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	45	28	62.2
¹³C chemical shifts	45	3	6.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	27	0	0.0
¹³C chemical shifts	27	0	0.0

Keywords Denatured State, NMR

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Found 1 Document (0.548 seconds)

BMRB: 15473

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. dSUMO, : 1 : 1 : 215 entities Detail

Experiments performed 8 experiments Detail

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Chemical shift validation 3 contents Detail