BMRB Entry 27647

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for phosphorylated KID domain (C90A, V118D) of CREB
Published: 2019-01-08

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27647

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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:

Backbone 1H, 13C, and 15N Chemical Shift Assignments for phosphorylated KID domain (C90A, V118D) of CREB

Deposition date:

2018-10-12

Original release date:

2019-01-08

Authors:

Shnitkind, Sergey; Dyson, H. Jane; Wright, Peter

Citation:

Citation: Shnitkind, Sergey; Martinez-Yamout, Maria; Dyson, H. Jane; Wright, Peter. "Structural basis for graded inhibition of CREB:DNA interactions by multi-site phosphorylation" Biochemistry 57, 6964-6972 (2018).
PubMed: 30507144

Assembly members:

Assembly members:
phosphorylated-KID, polymer, 77 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: pET21a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
phosphorylated-KID: GTVQSSAKDLKRLFSGTQIS TIAEXEDXQEXVDXDTDSQK RREILSRRPSYRKILNDLSS DAPGVPRIEEEKXEEET

Data sets:

assigned_chemical_shifts

Data type	Count
13C chemical shifts	276
15N chemical shifts	91
1H chemical shifts	91

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	phosphorylated-KID	1

Entities:

Entity 1, phosphorylated-KID 77 residues - Formula weight is not available

1

GLY

THR

VAL

GLN

SER

ALA

LYS

ASP

LEU

2

LYS

ARG

LEU

PHE

SER

GLY

THR

GLN

ILE

SER

3

THR

ILE

ALA

GLU

SEP

GLU

ASP

SEP

GLN

GLU

4

SEP

VAL

ASP

SEP

ASP

THR

ASP

SER

GLN

LYS

5

ARG

GLU

ILE

LEU

SER

ARG

PRO

SER

6

TYR

ARG

LYS

ILE

LEU

ASN

ASP

LEU

SER

7

ASP

ALA

PRO

GLY

VAL

PRO

ARG

ILE

GLU

8

GLU

LYS

SEP

GLU

THR

Samples:

sample_1: KID, [U-99% 13C; U-99% 15N], 35 uM; MES 20 mM; sodium chloride 100 mM; H2O 95%; D2O, [U-99% 2H], 5%; phosphorylated-pT119-KID, [U-99% 13C; U-99% 15N], 25 uM; phosphorylated-pS143-KID, [U-99% 13C; U-99% 15N], 25 uM

sample_conditions_1: pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

TOPSPIN, Bruker Biospin - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment, data analysis

NMR spectrometers:

Bruker DMX 800 MHz

SP	P16220
AlphaFold	Q9UMA7