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Found 1 Document (1.625 seconds)

BMRB: 7248

2KGL

1H, 13C, 15N Chemical Shift Assignments for Mesd12-155

Authors

Chen, J., Wang, J.

Assembly

Mesd(12-155)

Entity

1. Mesd(12-155) (polymer, Thiol state: all free), 145 monomers, 16669.65 Da Detail

RKKKDIRDYN DADMARLLEQ WEKDDDIEEG DLPEHKRPSA PIDFSKLDPG KPESILKMTK KGKTLMMFVT VSGNPTEKET EEITSLWQGS LFNANYDVQR FIVGSDRAIF MLRDGSYAWE IKDFLVSQDR CAEVTLEGQM YPGKG

Formula weight

16669.65 Da

Source organism

Mus musculus

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.0 %, Completeness (bb): 96.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.0 % (1501 of 1725)	86.8 % (789 of 909)	86.5 % (576 of 666)	90.7 % (136 of 150)
Backbone	96.3 % (824 of 856)	93.9 % (275 of 293)	97.2 % (413 of 425)	98.6 % (136 of 138)
Sidechain	80.7 % (810 of 1004)	83.4 % (514 of 616)	78.7 % (296 of 376)	0.0 % (0 of 12)
Aromatic	28.0 % (37 of 132)	43.9 % (29 of 66)	12.7 % (8 of 63)	0.0 % (0 of 3)
Methyl	88.3 % (113 of 128)	85.9 % (55 of 64)	90.6 % (58 of 64)

1. mesd12-155

RKKKDIRDYN DADMARLLEQ WEKDDDIEEG DLPEHKRPSA PIDFSKLDPG KPESILKMTK KGKTLMMFVT VSGNPTEKET EEITSLWQGS LFNANYDVQR FIVGSDRAIF MLRDGSYAWE IKDFLVSQDR CAEVTLEGQM YPGKG

Show sample condition

Sample

Temperature 303 (±0) K, pH 7 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	mesd12-155	[U-13C; U-15N]	protein	1.5 (±0.1) 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: -0.14 ppm, Outliers: 3 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: -0.14 ppm, Outliers: 3 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: 0.04 ppm, Outliers: 4 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: 1.42 ppm, Outliers: 3 Detail

Release date

2006-10-19

Citation 1

A complete NMR spectral assignment of the conserved region of the MESD protein, MESD(12-155)
Chen, J., Bu, G., Wang, J.
Biomol. NMR Assign. (2007), 1, 3-5, PubMed 19636811 , DOI 10.1007/s12104-007-9003-6 , Abstract

Show more 1 citaion

Citation 2

Coaxing the LDL receptor family into the fold
Herz, J., Marschang, P.
Cell (2003), 112, 289-292, PubMed 12581519 , DOI: , Abstract

Hide non-primary 1 citaion

Related entities 1. Mesd(12-155), : 1 : 3 : 2 : 2 : 10 entities Detail

Interaction partners 1. Mesd(12-155), : 5 interactors Detail

More details for 5 interactors identified by 4 citations

Experiments performed 6 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr7248_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: bmr7248_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	1632		100.0 (chain: 1, length: 145)
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: 145, Sequence coverage: 100.0%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
RKKKDIRDYNDADMARLLEQWEKDDDIEEGDLPEHKRPSAPIDFSKLDPGKPESILKMTKKGKTLMMFVTVSGNPTEKETEEITSLWQGSLFNANYDVQR
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
RKKKDIRDYNDADMARLLEQWEKDDDIEEGDLPEHKRPSAPIDFSKLDPGKPESILKMTKKGKTLMMFVTVSGNPTEKETEEITSLWQGSLFNANYDVQR

-------110-------120-------130-------140-----
FIVGSDRAIFMLRDGSYAWEIKDFLVSQDRCAEVTLEGQMYPGKG
|||||||||||||||||||||||||||||||||||||||||||||
FIVGSDRAIFMLRDGSYAWEIKDFLVSQDRCAEVTLEGQMYPGKG

Total number of assignments
- ¹H chemical shifts: 932
- ¹³C chemical shifts: 564
- ¹⁵N chemical shifts: 136

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
59	THR	HG1	4.652
64	THR	HG1	5.351
72	SER	HG	5.548
84	THR	HG1	4.54
85	SER	HG	4.66
96	TYR	HH	9.139
100	ARG	HH11	6.734
100	ARG	HH12	6.734
100	ARG	HH21	6.734
100	ARG	HH22	6.734
105	SER	HG	5.36
113	ARG	HH11	6.243
113	ARG	HH12	6.564
116	SER	HG	5.637
117	TYR	HH	9.32
135	THR	HG1	5.492

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	909	792	87.1
¹³C chemical shifts	666	564	84.7
¹⁵N chemical shifts	158	136	86.1

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	293	281	95.9
¹³C chemical shifts	290	280	96.6
¹⁵N chemical shifts	138	136	98.6

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	616	511	83.0
¹³C chemical shifts	376	284	75.5
¹⁵N chemical shifts	20	0	0.0

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	70	62	88.6
¹³C chemical shifts	70	58	82.9

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	66	25	37.9
¹³C chemical shifts	63	0	0.0
¹⁵N chemical shifts	3	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

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Found 1 Document (1.625 seconds)

BMRB: 7248

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Mesd(12-155), : 1 : 3 : 2 : 2 : 10 entities Detail

Interaction partners 1. Mesd(12-155), : 5 interactors Detail

Experiments performed 6 experiments Detail

Instrument

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Chemical shift validation 3 contents Detail