BMRB Entry 15865

Name: Detailed Structural Characterization of Unbound Protein Phosphatase 1 Inhibitors
Published: 2008-11-17

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15865

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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:

Detailed Structural Characterization of Unbound Protein Phosphatase 1 Inhibitors

Deposition date:

2008-07-07

Original release date:

2008-11-17

Authors:

Dancheck, Barbara; Nairn, Angus; Peti, Wolfgang

Citation:

Citation: Dancheck, Barbara; Nairn, Angus; Peti, Wolfgang. "Detailed Structural Characterization of Unbound Protein Phosphatase 1 Inhibitors" Biochemistry 47, 12346-12356 (2008).
PubMed: 18954090

Assembly members:

Assembly members:
DARPP-32, polymer, 120 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DARPP-32: GHMDPKGRKKIQFSVPAPPS QLDPRQVEMIRRRRPTPALL FRVSEHSSPEEESSPHQRTS GEGHHPKSKRPNPSAYTPPS LKAVQRIAESHLQTISNLSE NQASEEEDELGELRELGYPQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	346
15N chemical shifts	102
1H chemical shifts	102

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DARPP-32	1

Entities:

Entity 1, DARPP-32 120 residues - Formula weight is not available

First two residues, G H, are cloning artifcats, followed by residues 1 - 118 of DARPP-32, phosphorylated at threonine-34.

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

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

BMRB	15176
GB	AAH78954 AAT11858 EDM05918 EDM05919
REF	NP_612530
SP	Q6J4I0
AlphaFold	Q6J4I0

BMRB Entry 15865

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

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

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

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