BMRB Entry 27417

Name: Putative methyltransferase WBSCR27 in complex with S-adenosyl-L-methionine
Published: 2018-06-20

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27417

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

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

Deposition date:

2018-03-06

Original release date:

2018-06-20

Authors:

Mariasina, Sofia; Polshakov, Vladimir; Chang, Chi-Fon

Citation:

Citation: Mariasina, Sofia; Petrova, Olga; Osterman, Ilya; Sergeeva, Olga; Efimov, Sergey; Klochkov, Vladimir; Sergiev, Petr; Dontsova, Olga; Huang, Tai-Huang; Chang, Chi-Fon; Polshakov, Vladimir. "NMR assignments of the WBSCR27 protein related to Williams-Beuren syndrome" Biomol. NMR Assignments 12, 303-308 (2018).
PubMed: 29868988

Assembly members:

Assembly members:
WBSCR27_putative_methyltransferase, polymer, 240 residues, 25963 Da.
entity_SAM, non-polymer, 398.437 Da.

Natural source:

Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET30aTEV

Entity Sequences (FASTA):

Entity Sequences (FASTA):
WBSCR27_putative_methyltransferase: GAMAQEEAGRLPQVLARVGT SHGITDLACKLRFYDDWAPE YDQDVAALKYRAPRLAVDCL SRAFRGSPHDALILDVACGT GLVAVELQARGFLQVQGVDG SPEMLKQARARGLYHHLSLC TLGQEPLPDPEGTFDAVIIV GALSEGQVPCSAIPELLRVT KPGGLVCLTTRTNPSNLPYK ETLEATLDSLERAGVWECLV TQPVDHWELATSEQETGLGT CANDGFISGIIYLYRKQETV

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	779
15N chemical shifts	214
1H chemical shifts	1173

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	WBSCR27	1
2	SAM	2

Entities:

Entity 1, WBSCR27 240 residues - 25963 Da.

Residues 1-2 represent a non-native affinity tag;

1	GLY	ALA	MET	ALA	GLN	GLU	GLU	ALA	GLY	ARG
2	LEU	PRO	GLN	VAL	LEU	ALA	ARG	VAL	GLY	THR
3	SER	HIS	GLY	ILE	THR	ASP	LEU	ALA	CYS	LYS
4	LEU	ARG	PHE	TYR	ASP	ASP	TRP	ALA	PRO	GLU
5	TYR	ASP	GLN	ASP	VAL	ALA	ALA	LEU	LYS	TYR
6	ARG	ALA	PRO	ARG	LEU	ALA	VAL	ASP	CYS	LEU
7	SER	ARG	ALA	PHE	ARG	GLY	SER	PRO	HIS	ASP
8	ALA	LEU	ILE	LEU	ASP	VAL	ALA	CYS	GLY	THR
9	GLY	LEU	VAL	ALA	VAL	GLU	LEU	GLN	ALA	ARG
10	GLY	PHE	LEU	GLN	VAL	GLN	GLY	VAL	ASP	GLY
11	SER	PRO	GLU	MET	LEU	LYS	GLN	ALA	ARG	ALA
12	ARG	GLY	LEU	TYR	HIS	HIS	LEU	SER	LEU	CYS
13	THR	LEU	GLY	GLN	GLU	PRO	LEU	PRO	ASP	PRO
14	GLU	GLY	THR	PHE	ASP	ALA	VAL	ILE	ILE	VAL
15	GLY	ALA	LEU	SER	GLU	GLY	GLN	VAL	PRO	CYS
16	SER	ALA	ILE	PRO	GLU	LEU	LEU	ARG	VAL	THR
17	LYS	PRO	GLY	GLY	LEU	VAL	CYS	LEU	THR	THR
18	ARG	THR	ASN	PRO	SER	ASN	LEU	PRO	TYR	LYS
19	GLU	THR	LEU	GLU	ALA	THR	LEU	ASP	SER	LEU
20	GLU	ARG	ALA	GLY	VAL	TRP	GLU	CYS	LEU	VAL
21	THR	GLN	PRO	VAL	ASP	HIS	TRP	GLU	LEU	ALA
22	THR	SER	GLU	GLN	GLU	THR	GLY	LEU	GLY	THR
23	CYS	ALA	ASN	ASP	GLY	PHE	ILE	SER	GLY	ILE
24	ILE	TYR	LEU	TYR	ARG	LYS	GLN	GLU	THR	VAL

Entity 2, SAM - C15 H22 N6 O5 S - 398.437 Da.

1

SAM

Samples:

sample_N: WBSCR27 putative methyltransferase, [U-99% 15N], 0.8 mM; S-Adenosyl-L-methionine 5 mM; NaCl 50 mM; Sodium phosphate buffer (pH 7) 50 mM; DL-Dithiothreitol (DTT) 10 mM; Sodium azide (NaN3) 0.02%

sample_CN_D2O: WBSCR27 putative methyltransferase, [U-99% 13C; U-99% 15N], 0.4 mM; S-Adenosyl-L-methionine 2 mM; NaCl 50 mM; Sodium phosphate buffer (pH 7) 50 mM; DL-Dithiothreitol (DTT) 10 mM; Sodium azide (NaN3) 0.02%

sample_CN: WBSCR27 putative methyltransferase, [U-99% 13C; U-99% 15N], 0.6 mM; S-Adenosyl-L-methionine 5 mM; NaCl 50 mM; Sodium phosphate buffer (pH 7) 50 mM; DL-Dithiothreitol (DTT) 10 mM; Sodium azide (NaN3) 0.02%

sample_conditions_1: ionic strength: 100 mM; pH: 7; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_N	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_CN	isotropic	sample_conditions_1
3D HNCO	sample_CN	isotropic	sample_conditions_1
3D HCACO	sample_CN	isotropic	sample_conditions_1
3D HN(CO)CA	sample_CN	isotropic	sample_conditions_1
3D HNCA	sample_CN	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_CN	isotropic	sample_conditions_1
3D HNCACB	sample_CN	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_N	isotropic	sample_conditions_1
3D HNHAHB	sample_N	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_N	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_CN	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_CN_D2O	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_CN	isotropic	sample_conditions_1
2D 15{1H}NOE	sample_CN	isotropic	sample_conditions_1

Software:

SPARKY vNMRFAM, (NMRFAM Sparky) W. Lee, Goddard - chemical shift assignment, data analysis, peak picking

TOPSPIN vv3.1, Bruker Biospin - collection

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

TALOS vTALOS+, Cornilescu, Delaglio and Bax - data analysis

NMRest, Polshakov - data analysis

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 700 MHz
Bruker Avance 850 MHz

1	GLY	ALA	MET	ALA	GLN	GLU	GLU	ALA	GLY	ARG
2	LEU	PRO	GLN	VAL	LEU	ALA	ARG	VAL	GLY	THR
3	SER	HIS	GLY	ILE	THR	ASP	LEU	ALA	CYS	LYS
4	LEU	ARG	PHE	TYR	ASP	ASP	TRP	ALA	PRO	GLU
5	TYR	ASP	GLN	ASP	VAL	ALA	ALA	LEU	LYS	TYR
6	ARG	ALA	PRO	ARG	LEU	ALA	VAL	ASP	CYS	LEU
7	SER	ARG	ALA	PHE	ARG	GLY	SER	PRO	HIS	ASP
8	ALA	LEU	ILE	LEU	ASP	VAL	ALA	CYS	GLY	THR
9	GLY	LEU	VAL	ALA	VAL	GLU	LEU	GLN	ALA	ARG
10	GLY	PHE	LEU	GLN	VAL	GLN	GLY	VAL	ASP	GLY
11	SER	PRO	GLU	MET	LEU	LYS	GLN	ALA	ARG	ALA
12	ARG	GLY	LEU	TYR	HIS	HIS	LEU	SER	LEU	CYS
13	THR	LEU	GLY	GLN	GLU	PRO	LEU	PRO	ASP	PRO
14	GLU	GLY	THR	PHE	ASP	ALA	VAL	ILE	ILE	VAL
15	GLY	ALA	LEU	SER	GLU	GLY	GLN	VAL	PRO	CYS
16	SER	ALA	ILE	PRO	GLU	LEU	LEU	ARG	VAL	THR
17	LYS	PRO	GLY	GLY	LEU	VAL	CYS	LEU	THR	THR
18	ARG	THR	ASN	PRO	SER	ASN	LEU	PRO	TYR	LYS
19	GLU	THR	LEU	GLU	ALA	THR	LEU	ASP	SER	LEU
20	GLU	ARG	ALA	GLY	VAL	TRP	GLU	CYS	LEU	VAL
21	THR	GLN	PRO	VAL	ASP	HIS	TRP	GLU	LEU	ALA
22	THR	SER	GLU	GLN	GLU	THR	GLY	LEU	GLY	THR
23	CYS	ALA	ASN	ASP	GLY	PHE	ILE	SER	GLY	ILE
24	ILE	TYR	LEU	TYR	ARG	LYS	GLN	GLU	THR	VAL

1	GLY	ALA	MET	ALA	GLN	GLU	GLU	ALA	GLY	ARG
2	LEU	PRO	GLN	VAL	LEU	ALA	ARG	VAL	GLY	THR
3	SER	HIS	GLY	ILE	THR	ASP	LEU	ALA	CYS	LYS
4	LEU	ARG	PHE	TYR	ASP	ASP	TRP	ALA	PRO	GLU
5	TYR	ASP	GLN	ASP	VAL	ALA	ALA	LEU	LYS	TYR
6	ARG	ALA	PRO	ARG	LEU	ALA	VAL	ASP	CYS	LEU
7	SER	ARG	ALA	PHE	ARG	GLY	SER	PRO	HIS	ASP
8	ALA	LEU	ILE	LEU	ASP	VAL	ALA	CYS	GLY	THR
9	GLY	LEU	VAL	ALA	VAL	GLU	LEU	GLN	ALA	ARG
10	GLY	PHE	LEU	GLN	VAL	GLN	GLY	VAL	ASP	GLY
11	SER	PRO	GLU	MET	LEU	LYS	GLN	ALA	ARG	ALA
12	ARG	GLY	LEU	TYR	HIS	HIS	LEU	SER	LEU	CYS
13	THR	LEU	GLY	GLN	GLU	PRO	LEU	PRO	ASP	PRO
14	GLU	GLY	THR	PHE	ASP	ALA	VAL	ILE	ILE	VAL
15	GLY	ALA	LEU	SER	GLU	GLY	GLN	VAL	PRO	CYS
16	SER	ALA	ILE	PRO	GLU	LEU	LEU	ARG	VAL	THR
17	LYS	PRO	GLY	GLY	LEU	VAL	CYS	LEU	THR	THR
18	ARG	THR	ASN	PRO	SER	ASN	LEU	PRO	TYR	LYS
19	GLU	THR	LEU	GLU	ALA	THR	LEU	ASP	SER	LEU
20	GLU	ARG	ALA	GLY	VAL	TRP	GLU	CYS	LEU	VAL
21	THR	GLN	PRO	VAL	ASP	HIS	TRP	GLU	LEU	ALA
22	THR	SER	GLU	GLN	GLU	THR	GLY	LEU	GLY	THR
23	CYS	ALA	ASN	ASP	GLY	PHE	ILE	SER	GLY	ILE
24	ILE	TYR	LEU	TYR	ARG	LYS	GLN	GLU	THR	VAL