BMRBj - BMREntryMaster

Found 1 Document (0.439 seconds)

BMRB: 27417

Putative methyltransferase WBSCR27 in complex with S-adenosyl-L-methionine

Authors

Mariasina, S.S., Polshakov, V.I., Chang, C.

Assembly

WBSCR27 in complex with SAM

Entity

1. WBSCR27 putative methyltransferase (polymer, Thiol state: all free), 240 monomers, 25963.23 Da Detail

GAMAQEEAGR LPQVLARVGT SHGITDLACK LRFYDDWAPE YDQDVAALKY RAPRLAVDCL SRAFRGSPHD ALILDVACGT GLVAVELQAR GFLQVQGVDG SPEMLKQARA RGLYHHLSLC TLGQEPLPDP EGTFDAVIIV GALSEGQVPC SAIPELLRVT KPGGLVCLTT RTNPSNLPYK ETLEATLDSL ERAGVWECLV TQPVDHWELA TSEQETGLGT CANDGFISGI IYLYRKQETV

2. WBSCR27 in complex with SAM, entity SAM (non-polymer), 398.437 Da

Total weight

26361.668 Da

Max. entity weight

25963.23 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.8 %, Completeness: 74.9 %, Completeness (bb): 91.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	74.9 % (1999 of 2668)	71.4 % (980 of 1372)	76.2 % (802 of 1052)	88.9 % (217 of 244)
Backbone	91.7 % (1295 of 1412)	88.9 % (434 of 488)	93.3 % (651 of 698)	92.9 % (210 of 226)
Sidechain	61.3 % (904 of 1474)	61.8 % (546 of 884)	61.4 % (351 of 572)	38.9 % (7 of 18)
Aromatic	25.3 % (41 of 162)	37.0 % (30 of 81)	14.1 % (11 of 78)	0.0 % (0 of 3)
Methyl	71.4 % (220 of 308)	75.3 % (116 of 154)	67.5 % (104 of 154)

1. WBSCR27 putative methyltransferase

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
1	WBSCR27 putative methyltransferase	[U-99% 15N]	0.8 mM
2	S-Adenosyl-L-methionine	natural abundance	5 mM
3	NaCl	natural abundance	50 mM
4	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
5	DL-Dithiothreitol (DTT)	natural abundance	10 mM
6	Sodium azide (NaN3)	natural abundance	0.02 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
7	WBSCR27 putative methyltransferase	[U-99% 13C; U-99% 15N]	0.4 mM
8	S-Adenosyl-L-methionine	natural abundance	2 mM
9	NaCl	natural abundance	50 mM
10	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
11	DL-Dithiothreitol (DTT)	natural abundance	10 mM
12	Sodium azide (NaN3)	natural abundance	0.02 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
13	WBSCR27 putative methyltransferase	[U-99% 13C; U-99% 15N]	0.6 mM
14	S-Adenosyl-L-methionine	natural abundance	5 mM
15	NaCl	natural abundance	50 mM
16	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
17	DL-Dithiothreitol (DTT)	natural abundance	10 mM
18	Sodium azide (NaN3)	natural abundance	0.02 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	water	protons	4.65 ppm	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	0.0 ppm	na	indirect	0.1013291

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	water	protons	4.65 ppm	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	0.0 ppm	na	indirect	0.1013291

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	water	protons	4.65 ppm	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	0.0 ppm	na	indirect	0.1013291

Referencing offset: -0.08 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
¹H	water	protons	4.65 ppm	internal	direct	1.0
¹⁵N	liquid anhydrous ammonia	nitrogen	0.0 ppm	na	indirect	0.1013291

Referencing offset: 0.27 ppm, Outliers: 2 Detail

Release date

2018-03-05

Citation

NMR assignments of the WBSCR27 protein related to Williams-Beuren syndrome
Mariasina, S.S., Petrova, O.A., Osterman, I.A., Sergeeva, O.V., Efimov, S.V., Klochkov, V.V., Sergiev, P.V., Dontsova, O.A., Huang, T.H., Chang, C.F., Polshakov, V.I.
Biomol. NMR Assign. (2018), 12, 303-308, PubMed 29868988 , DOI 10.1007/s12104-018-9827-2 , Abstract

Related entities 1. WBSCR27 putative methyltransferase, : 1 : 11 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
1	WBSCR27 putative methyltransferase	[U-99% 15N]	0.8 mM
2	S-Adenosyl-L-methionine	natural abundance	5 mM
3	NaCl	natural abundance	50 mM
4	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
5	DL-Dithiothreitol (DTT)	natural abundance	10 mM
6	Sodium azide (NaN3)	natural abundance	0.02 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
13	WBSCR27 putative methyltransferase	[U-99% 13C; U-99% 15N]	0.6 mM
14	S-Adenosyl-L-methionine	natural abundance	5 mM
15	NaCl	natural abundance	50 mM
16	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
17	DL-Dithiothreitol (DTT)	natural abundance	10 mM
18	Sodium azide (NaN3)	natural abundance	0.02 %

3 3D HNCO

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
13	WBSCR27 putative methyltransferase	[U-99% 13C; U-99% 15N]	0.6 mM
14	S-Adenosyl-L-methionine	natural abundance	5 mM
15	NaCl	natural abundance	50 mM
16	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
17	DL-Dithiothreitol (DTT)	natural abundance	10 mM
18	Sodium azide (NaN3)	natural abundance	0.02 %

4 3D HCACO

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
13	WBSCR27 putative methyltransferase	[U-99% 13C; U-99% 15N]	0.6 mM
14	S-Adenosyl-L-methionine	natural abundance	5 mM
15	NaCl	natural abundance	50 mM
16	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
17	DL-Dithiothreitol (DTT)	natural abundance	10 mM
18	Sodium azide (NaN3)	natural abundance	0.02 %

5 3D HN(CO)CA

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
13	WBSCR27 putative methyltransferase	[U-99% 13C; U-99% 15N]	0.6 mM
14	S-Adenosyl-L-methionine	natural abundance	5 mM
15	NaCl	natural abundance	50 mM
16	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
17	DL-Dithiothreitol (DTT)	natural abundance	10 mM
18	Sodium azide (NaN3)	natural abundance	0.02 %

6 3D HNCA

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
13	WBSCR27 putative methyltransferase	[U-99% 13C; U-99% 15N]	0.6 mM
14	S-Adenosyl-L-methionine	natural abundance	5 mM
15	NaCl	natural abundance	50 mM
16	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
17	DL-Dithiothreitol (DTT)	natural abundance	10 mM
18	Sodium azide (NaN3)	natural abundance	0.02 %

7 3D CBCA(CO)NH

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
13	WBSCR27 putative methyltransferase	[U-99% 13C; U-99% 15N]	0.6 mM
14	S-Adenosyl-L-methionine	natural abundance	5 mM
15	NaCl	natural abundance	50 mM
16	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
17	DL-Dithiothreitol (DTT)	natural abundance	10 mM
18	Sodium azide (NaN3)	natural abundance	0.02 %

8 3D HNCACB

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
13	WBSCR27 putative methyltransferase	[U-99% 13C; U-99% 15N]	0.6 mM
14	S-Adenosyl-L-methionine	natural abundance	5 mM
15	NaCl	natural abundance	50 mM
16	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
17	DL-Dithiothreitol (DTT)	natural abundance	10 mM
18	Sodium azide (NaN3)	natural abundance	0.02 %

9 3D HBHA(CO)NH

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
1	WBSCR27 putative methyltransferase	[U-99% 15N]	0.8 mM
2	S-Adenosyl-L-methionine	natural abundance	5 mM
3	NaCl	natural abundance	50 mM
4	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
5	DL-Dithiothreitol (DTT)	natural abundance	10 mM
6	Sodium azide (NaN3)	natural abundance	0.02 %

10 3D HNHAHB

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
1	WBSCR27 putative methyltransferase	[U-99% 15N]	0.8 mM
2	S-Adenosyl-L-methionine	natural abundance	5 mM
3	NaCl	natural abundance	50 mM
4	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
5	DL-Dithiothreitol (DTT)	natural abundance	10 mM
6	Sodium azide (NaN3)	natural abundance	0.02 %

11 3D 1H-15N NOESY

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
1	WBSCR27 putative methyltransferase	[U-99% 15N]	0.8 mM
2	S-Adenosyl-L-methionine	natural abundance	5 mM
3	NaCl	natural abundance	50 mM
4	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
5	DL-Dithiothreitol (DTT)	natural abundance	10 mM
6	Sodium azide (NaN3)	natural abundance	0.02 %

12 3D 1H-13C NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
13	WBSCR27 putative methyltransferase	[U-99% 13C; U-99% 15N]	0.6 mM
14	S-Adenosyl-L-methionine	natural abundance	5 mM
15	NaCl	natural abundance	50 mM
16	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
17	DL-Dithiothreitol (DTT)	natural abundance	10 mM
18	Sodium azide (NaN3)	natural abundance	0.02 %

13 3D 1H-13C NOESY

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
7	WBSCR27 putative methyltransferase	[U-99% 13C; U-99% 15N]	0.4 mM
8	S-Adenosyl-L-methionine	natural abundance	2 mM
9	NaCl	natural abundance	50 mM
10	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
11	DL-Dithiothreitol (DTT)	natural abundance	10 mM
12	Sodium azide (NaN3)	natural abundance	0.02 %

14 3D HCCH-TOCSY

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
13	WBSCR27 putative methyltransferase	[U-99% 13C; U-99% 15N]	0.6 mM
14	S-Adenosyl-L-methionine	natural abundance	5 mM
15	NaCl	natural abundance	50 mM
16	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
17	DL-Dithiothreitol (DTT)	natural abundance	10 mM
18	Sodium azide (NaN3)	natural abundance	0.02 %

15 2D 15{1H}NOE

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
13	WBSCR27 putative methyltransferase	[U-99% 13C; U-99% 15N]	0.6 mM
14	S-Adenosyl-L-methionine	natural abundance	5 mM
15	NaCl	natural abundance	50 mM
16	Sodium phosphate buffer (pH 7)	natural abundance	50 mM
17	DL-Dithiothreitol (DTT)	natural abundance	10 mM
18	Sodium azide (NaN3)	natural abundance	0.02 %

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr27417_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: bmr27417_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	2166		95.0 (chain: 1, length: 240)
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: 240, Sequence coverage: 95.0%
- Total number of assignments
  - ¹H chemical shifts: 1173
  - ¹³C chemical shifts: 779
  - ¹⁵N chemical shifts: 214
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
5	GLN	CD	180.339
43	GLN	CD	180.522
94	GLN	CD	180.641
96	GLN	CD	177.803
202	GLN	CD	179.727
223	ASN	CG	177.377
237	GLN	CD	179.533

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1372	949	69.2
¹³C chemical shifts	1052	772	73.4
¹⁵N chemical shifts	258	214	82.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	488	435	89.1
¹³C chemical shifts	480	444	92.5
¹⁵N chemical shifts	226	207	91.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	884	514	58.1
¹³C chemical shifts	572	328	57.3
¹⁵N chemical shifts	32	7	21.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	156	112	71.8
¹³C chemical shifts	156	98	62.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	81	25	30.9
¹³C chemical shifts	78	9	11.5
¹⁵N chemical shifts	3	0	0.0

Keywords NMR assignments, S-Adenosyl-L-methionine, Williams-Beuren syndrome, methyltransferase, protein secondary structure

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Found 1 Document (0.439 seconds)

BMRB: 27417

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. WBSCR27 putative methyltransferase, : 1 : 11 entities Detail

Experiments performed 15 experiments Detail

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Chemical shift validation 4 contents Detail