BMRB Entry 16160

Name: 1H, 13C, and 15N Chemical Shift Assignments for Myosin Phosphatase Trageting Subunit 1 (residues 1-98)
Published: 2012-08-07

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16160

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

1H, 13C, and 15N Chemical Shift Assignments for Myosin Phosphatase Trageting Subunit 1 (residues 1-98)

Deposition date:

2009-02-04

Original release date:

2012-08-07

Authors:

Pinheiro, Anderson; Peti, Wolfgang

Citation:

Citation: Pinheiro, Anderson; Peti, Wolfgang. "Understanding the assembly of the myosin phosphatase holoenzyme" J. Am. Chem. Soc. ., .-..

Assembly members:

Assembly members:
MYPT1_1-98, polymer, 100 residues, 11073.5 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: RP1B

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MYPT1_1-98: GHMKMADAKQKRNEQLKRWI GSETDLEPPVVKRKKTKVKF DDGAVFLAACSSGDTEEVLR LLERGADINYANVDGLTALH QASIDDNVDMVKFLVENGAN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	380
15N chemical shifts	92
1H chemical shifts	351

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MYPT1 1-98 monomer	1

Entities:

Entity 1, MYPT1 1-98 monomer 100 residues - 11073.5 Da.

The first 2 residues (Gly1 and His2) are part of the TEV protease cleavage site used during production of the protein.

1	GLY	HIS	MET	LYS	MET	ALA	ASP	ALA	LYS	GLN
2	LYS	ARG	ASN	GLU	GLN	LEU	LYS	ARG	TRP	ILE
3	GLY	SER	GLU	THR	ASP	LEU	GLU	PRO	PRO	VAL
4	VAL	LYS	ARG	LYS	LYS	THR	LYS	VAL	LYS	PHE
5	ASP	ASP	GLY	ALA	VAL	PHE	LEU	ALA	ALA	CYS
6	SER	SER	GLY	ASP	THR	GLU	GLU	VAL	LEU	ARG
7	LEU	LEU	GLU	ARG	GLY	ALA	ASP	ILE	ASN	TYR
8	ALA	ASN	VAL	ASP	GLY	LEU	THR	ALA	LEU	HIS
9	GLN	ALA	SER	ILE	ASP	ASP	ASN	VAL	ASP	MET
10	VAL	LYS	PHE	LEU	VAL	GLU	ASN	GLY	ALA	ASN

Samples:

sample_1: MYPT1, [U-100% 15N], 1.2 ± 0.2 mM; NACL 50 mM; Sodium Phosphate 20 mM; PMSF 0.25 mM; TCEP 0.5 mM

sample_2: MYPT1, [U-100% 13C; U-100% 15N], 1.0 ± 0.2 mM; NACL 50 mM; Sodium Phosphate 20 mM; PMSF 0.25 mM; TCEP 0.5 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6.8; pressure: 1.0 atm; temperature: 283 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_2	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_1
3D HNCACO	sample_2	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_2	isotropic	sample_conditions_1
3D C(CO)NH	sample_2	isotropic	sample_conditions_1

Software:

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, peak picking

TOPSPIN v1.3, Bruker Biospin - collection, processing

CYANA v2.0, Guntert, Mumenthaler and Wuthrich - chemical shift calculation

NMR spectrometers:

Bruker Avance 500 MHz

PDB	1S70
DBJ	BAA07201 BAA07202
EMBL	CAG32302
GB	KQK73925 KQL94224
REF	NP_990454 XP_002194705 XP_005039540 XP_005039541 XP_005039542
SP	Q90623
AlphaFold	Q90623

1	GLY	HIS	MET	LYS	MET	ALA	ASP	ALA	LYS	GLN
2	LYS	ARG	ASN	GLU	GLN	LEU	LYS	ARG	TRP	ILE
3	GLY	SER	GLU	THR	ASP	LEU	GLU	PRO	PRO	VAL
4	VAL	LYS	ARG	LYS	LYS	THR	LYS	VAL	LYS	PHE
5	ASP	ASP	GLY	ALA	VAL	PHE	LEU	ALA	ALA	CYS
6	SER	SER	GLY	ASP	THR	GLU	GLU	VAL	LEU	ARG
7	LEU	LEU	GLU	ARG	GLY	ALA	ASP	ILE	ASN	TYR
8	ALA	ASN	VAL	ASP	GLY	LEU	THR	ALA	LEU	HIS
9	GLN	ALA	SER	ILE	ASP	ASP	ASN	VAL	ASP	MET
10	VAL	LYS	PHE	LEU	VAL	GLU	ASN	GLY	ALA	ASN

1	GLY	HIS	MET	LYS	MET	ALA	ASP	ALA	LYS	GLN
2	LYS	ARG	ASN	GLU	GLN	LEU	LYS	ARG	TRP	ILE
3	GLY	SER	GLU	THR	ASP	LEU	GLU	PRO	PRO	VAL
4	VAL	LYS	ARG	LYS	LYS	THR	LYS	VAL	LYS	PHE
5	ASP	ASP	GLY	ALA	VAL	PHE	LEU	ALA	ALA	CYS
6	SER	SER	GLY	ASP	THR	GLU	GLU	VAL	LEU	ARG
7	LEU	LEU	GLU	ARG	GLY	ALA	ASP	ILE	ASN	TYR
8	ALA	ASN	VAL	ASP	GLY	LEU	THR	ALA	LEU	HIS
9	GLN	ALA	SER	ILE	ASP	ASP	ASN	VAL	ASP	MET
10	VAL	LYS	PHE	LEU	VAL	GLU	ASN	GLY	ALA	ASN