BMRB Entry 27273

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments of phosphorylated (T183 and Y185) p38 alpha
Published: 2018-05-22

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27273

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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 of phosphorylated (T183 and Y185) p38 alpha

Deposition date:

2017-10-04

Original release date:

2018-05-22

Authors:

Ganesan, Senthil Kumar; Page, Rebecca; Peti, Wolfgang

Citation:

Citation: Kumar, Ganesan Senthil; Clarkson, Michael; Kunze, Micha; Granata, Daniele; Wand, A Joshua; Lindorff-Larsen, Kresten; Page, Rebecca; Peti, Wolfgang. "Dynamic activation and regulation of the mitogen-activated protein kinase p38" Proc. Natl. Acad. Sci. U.S.A. 115, 4655-4660 (2018).
PubMed: 29666261

Assembly members:

Assembly members:
dp-p38_alpha, polymer, 352 residues, 40450 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):
dp-p38_alpha: GHMGSQERPTFYRQELNKTI WEVPERYQNLSPVGSGAYGS VCAAFDTKTGLRVAVKKLSR PFQSIIHAKRTYRELRLLKH MKHENVIGLLDVFTPARSLE EFNDVYLVTHLMGADLNNIV KCQKLTDDHVQFLIYQILRG LKYIHSADIIHRDLKPSNLA VNEDCELKILDFGLARHTDD EMXGXVATRWYRAPEIMLNW MHYNQTVDIWSVGCIMAELL TGRTLFPGTDHIDQLKLILR LVGTPGAELLKKISSESARN YIQSLTQMPKMNFANVFIGA NPLAVDLLEKMLVLDSDKRI TAAQALAHAYFAQYHDPDDE PVADPYDQSFESRDLLIDEW KSLTYDEVISFV

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	550
15N chemical shifts	268
1H chemical shifts	268

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	dp-p38 alpha	1

Entities:

Entity 1, dp-p38 alpha 352 residues - 40450 Da.

Residues 1-3 are products of a non-native cloning artifact; Native Residue 183 is phosphorylated threonine and native residue 185 is phosphorylated tyrosine.

1

GLY

HIS

MET

GLY

SER

GLN

GLU

ARG

PRO

THR

2

PHE

TYR

ARG

GLN

GLU

LEU

ASN

LYS

THR

ILE

3

TRP

GLU

VAL

PRO

GLU

ARG

TYR

GLN

ASN

LEU

4

SER

PRO

VAL

GLY

SER

GLY

ALA

TYR

GLY

SER

5

VAL

CYS

ALA

PHE

ASP

THR

LYS

THR

GLY

6

LEU

ARG

VAL

ALA

VAL

LYS

LEU

SER

ARG

7

PRO

PHE

GLN

SER

ILE

HIS

ALA

LYS

ARG

8

THR

TYR

ARG

GLU

LEU

ARG

LEU

LYS

HIS

9

MET

LYS

HIS

GLU

ASN

VAL

ILE

GLY

LEU

10

ASP

VAL

PHE

THR

PRO

ALA

ARG

SER

LEU

GLU

11

GLU

PHE

ASN

ASP

VAL

TYR

LEU

VAL

THR

HIS

12

LEU

MET

GLY

ALA

ASP

LEU

ASN

ILE

VAL

13

LYS

CYS

GLN

LYS

LEU

THR

ASP

HIS

VAL

14

GLN

PHE

LEU

ILE

TYR

GLN

ILE

LEU

ARG

GLY

15

LEU

LYS

TYR

ILE

HIS

SER

ALA

ASP

ILE

16

HIS

ARG

ASP

LEU

LYS

PRO

SER

ASN

LEU

ALA

17

VAL

ASN

GLU

ASP

CYS

GLU

LEU

LYS

ILE

LEU

18

ASP

PHE

GLY

LEU

ALA

ARG

HIS

THR

ASP

19

GLU

MET

TPO

GLY

PTR

VAL

ALA

THR

ARG

TRP

20

TYR

ARG

ALA

PRO

GLU

ILE

MET

LEU

ASN

TRP

21

MET

HIS

TYR

ASN

GLN

THR

VAL

ASP

ILE

TRP

22

SER

VAL

GLY

CYS

ILE

MET

ALA

GLU

LEU

23

THR

GLY

ARG

THR

LEU

PHE

PRO

GLY

THR

ASP

24

HIS

ILE

ASP

GLN

LEU

LYS

LEU

ILE

LEU

ARG

25

LEU

VAL

GLY

THR

PRO

GLY

ALA

GLU

LEU

26

LYS

ILE

SER

GLU

SER

ALA

ARG

ASN

27

TYR

ILE

GLN

SER

LEU

THR

GLN

MET

PRO

LYS

28

MET

ASN

PHE

ALA

ASN

VAL

PHE

ILE

GLY

ALA

29

ASN

PRO

LEU

ALA

VAL

ASP

LEU

GLU

LYS

30

MET

LEU

VAL

LEU

ASP

SER

ASP

LYS

ARG

ILE

31

THR

ALA

GLN

ALA

LEU

ALA

HIS

ALA

TYR

32

PHE

ALA

GLN

TYR

HIS

ASP

PRO

ASP

GLU

33

PRO

VAL

ALA

ASP

PRO

TYR

ASP

GLN

SER

PHE

34

GLU

SER

ARG

ASP

LEU

ILE

ASP

GLU

TRP

35

LYS

SER

LEU

THR

TYR

ASP

GLU

VAL

ILE

SER

36

PHE

VAL

Samples:

sample_1: dp-p38_alpha, [U-2H; U-13C; U-15N], 0.35 mM; HEPES 10 mM; sodium chloride 150 mM; DTT 5 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 7.4; pressure: 1 atm; temperature: 293 K

Experiments:

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

Software:

TOPSPIN v3.2, Bruker Biospin - collection, processing

Sparky vNMRFAM, Goddard - chemical shift assignment, data analysis

NMR spectrometers:

Bruker Avance 850 MHz

BMRB	17471
PDB	3PY3