BMRBj - BMREntryMaster

Found 1 Document (1.584 seconds)

BMRB: 7202

2K1F

Backbone 1H, 13C, and 15N Chemical Shift Assignments for dSUMO

Authors

Kumar, A., Misra, J.R., Mittal, R., Hosur, R.V.

Assembly

dSUMO

Entity

1. dSUMO (polymer, Thiol state: not available), 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

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.2 %, Completeness (bb): 97.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.2 % (908 of 1041)	84.9 % (465 of 548)	90.4 % (356 of 394)	87.9 % (87 of 99)
Backbone	97.9 % (523 of 534)	96.2 % (179 of 186)	98.5 % (257 of 261)	100.0 % (87 of 87)
Sidechain	79.3 % (466 of 588)	79.0 % (286 of 362)	84.1 % (180 of 214)	0.0 % (0 of 12)
Aromatic	29.6 % (16 of 54)	59.3 % (16 of 27)	0.0 % (0 of 27)
Methyl	97.6 % (80 of 82)	100.0 % (41 of 41)	95.1 % (39 of 41)

1. dSUMO

GSMSDEKKGG ETEHINLKVL GQDNAVVQFK IKKHTPLRKL MNAYCDRAGL SMQVVRFRFD GQPINENDTP TSLEMEEGDT IEVYQQQTGG

Show sample condition

Sample

Temperature 300 K, pH 5.6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	dSUMO	[U-13C; U-15N]	protein	1 (±0.1) mM
2	Sodium Phosphate		buffer	100 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: 1.1 ppm, Outliers: 2 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: 1.1 ppm, Outliers: 2 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: -0.06 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: 0.26 ppm, Outliers: 1 Detail

Release date

2007-07-01

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.R., Chugh, J., Sharma, S., Hosur, R.V.
Biomol. NMR Assign. (2008), 2, 13-15, PubMed 19636913 , DOI 10.1007/s12104-007-9072-6 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 15473 released on 2007-09-18
Title Backbone 1H, 13C, and 15N Chemical Shift Assignments for 8M Urea Denatured State of dSUMO-3(dSMT3)

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

Experiments performed 7 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr7202_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: bmr7202_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	1010		100.0 (chain: 1, length: 90)
1	Chemical shift references	chemical_shift_referencing	OK	3		No information

Assigned chemical shifts

Saveframe: chem_shift_list_1

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: 1, Chain length: 90, Sequence coverage: 100.0%

--------10--------20--------30--------40--------50--------60--------70--------80--------90
GSMSDEKKGGETEHINLKVLGQDNAVVQFKIKKHTPLRKLMNAYCDRAGLSMQVVRFRFDGQPINENDTPTSLEMEEGDTIEVYQQQTGG
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GSMSDEKKGGETEHINLKVLGQDNAVVQFKIKKHTPLRKLMNAYCDRAGLSMQVVRFRFDGQPINENDTPTSLEMEEGDTIEVYQQQTGG

Total number of assignments
- ¹H chemical shifts: 564
- ¹³C chemical shifts: 356
- ¹⁵N chemical shifts: 90

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
2	SER	HG	5.77
35	THR	HG1	4.97
36	PRO	N	122.9
45	CYS	HG	2.76
58	ARG	HH11	6.98
58	ARG	HH12	6.85
58	ARG	HH21	6.74
58	ARG	HH22	6.46
63	PRO	N	131.0
69	THR	HG1	4.98
70	PRO	N	114.5
71	THR	HG1	4.74
80	THR	HG1	5.32
88	THR	HG1	4.6

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	548	465	84.9
¹³C chemical shifts	394	356	90.4
¹⁵N chemical shifts	103	87	84.5

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	186	180	96.8
¹³C chemical shifts	180	176	97.8
¹⁵N chemical shifts	87	87	100.0

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	362	285	78.7
¹³C chemical shifts	214	180	84.1
¹⁵N chemical shifts	16	0	0.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	45	44	97.8
¹³C chemical shifts	45	41	91.1

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	27	16	59.3
¹³C chemical shifts	27	0	0.0

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

Keywords NMR, NMR Structure in solution state

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Found 1 Document (1.584 seconds)

BMRB: 7202

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1 entries Detail

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

Experiments performed 7 experiments Detail

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Chemical shift validation 3 contents Detail