BMRB Entry 15855

Name: NMR assignment of human Growth Arrest and DNA Damage alpha protein (Gadd45a)
Published: 2008-07-07

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PDB ID: 2kg4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15855
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR assignment of human Growth Arrest and DNA Damage alpha protein (Gadd45a)

Deposition date:

2008-07-03

Original release date:

2008-07-07

Authors:

Sanchez, Ricardo; Pantoja-Uceda, David; Torres, Daniel; Prieto, Jesus; Campos-Olivas, Ramon; Blanco, Francisco J.

Citation:

Citation: Sanchez, Ricardo; Pantoja-Uceda, David; Torres, Daniel; Prieto, Jesus; Campos-Olivas, Ramon; Blanco, Francisco. "NMR assignment and secondary structure of human growth arrest and DNA damage alpha protein (Gadd45 alpha)" Biomol. NMR Assignments 2, 139-142 (2008).
PubMed: 19636889

Assembly members:

Assembly members:
Gadd45a, polymer, 168 residues, 18627 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: modified pET28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Gadd45a: GPHMTLEEFSAGEQKTERMD KVGDALEEVLSKALSQRTIT VGVYEAAKLLNVDPDNVVLC LLAADEDDDRDVALQIHFTL IQAFCCENDINILRVSNPGR LAELLLLETDAGPAASEGAE QPPDLHCVLVTNPHSSQWKD PALSQLICFCRESRYMDQWV PVINLPER

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	627
15N chemical shifts	153
1H chemical shifts	990

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Gadd45a	1

Entities:

Entity 1, Gadd45a 168 residues - 18627 Da.

Residues from -2 to 0 (GPH) represent a non-native tag in N-terminus

1

GLY

PRO

HIS

MET

THR

LEU

GLU

PHE

SER

2

ALA

GLY

GLU

GLN

LYS

THR

GLU

ARG

MET

ASP

3

LYS

VAL

GLY

ASP

ALA

LEU

GLU

VAL

LEU

4

SER

LYS

ALA

LEU

SER

GLN

ARG

THR

ILE

THR

5

VAL

GLY

VAL

TYR

GLU

ALA

LYS

LEU

6

ASN

VAL

ASP

PRO

ASP

ASN

VAL

LEU

CYS

7

LEU

ALA

ASP

GLU

ASP

ARG

8

ASP

VAL

ALA

LEU

GLN

ILE

HIS

PHE

THR

LEU

9

ILE

GLN

ALA

PHE

CYS

GLU

ASN

ASP

ILE

10

ASN

ILE

LEU

ARG

VAL

SER

ASN

PRO

GLY

ARG

11

LEU

ALA

GLU

LEU

GLU

THR

ASP

12

ALA

GLY

PRO

ALA

SER

GLU

GLY

ALA

GLU

13

GLN

PRO

ASP

LEU

HIS

CYS

VAL

LEU

VAL

14

THR

ASN

PRO

HIS

SER

GLN

TRP

LYS

ASP

15

PRO

ALA

LEU

SER

GLN

LEU

ILE

CYS

PHE

CYS

16

ARG

GLU

SER

ARG

TYR

MET

ASP

GLN

TRP

VAL

17

PRO

VAL

ILE

ASN

LEU

PRO

GLU

ARG

Samples:

HGa_CN: Gadd45a, [U-99% 13C; U-99% 15N], 450 uM; sodium phosphate 20 mM; potassium chloride 100 mM; DTT 2 mM; EDTA 2 mM; sodium azide 0.03%

HGa_N: Gadd45a, [U-99% 15N], 450 uM; sodium phosphate 20 mM; potassium chloride 100 mM; DTT 2 mM; EDTA 2 mM; sodium azide 0.03%

HGa_D2O: Gadd45a 195 uM; sodium phosphate 20 mM; potassium chloride 100 mM; DTT-d10 2 mM; EDTA-d12 2 mM; sodium azide 0.03%

HGa_15NLeu: Gadd45a, [U-15N]-Leu, 450 uM; sodium phosphate 20 mM; potassium chloride 100 mM; DTT 2 mM; EDTA 2 mM; sodium azide 0.03%

HGa_15NVal: Gadd45a, [U-15N]-Val, 450 uM; sodium phosphate 20 mM; potassium chloride 100 mM; DTT 2 mM; EDTA 2 mM; sodium azide 0.03%

HGa_15NIle: Gadd45a, [U-15N]-Ile, 450 uM; sodium phosphate 20 mM; potassium chloride 100 mM; DTT 2 mM; EDTA 2 mM; sodium azide 0.03%

HGa_15NPhe_Tyr: Gadd45a, [U-15N]-Phe/Tyr, 450 uM; sodium phosphate 20 mM; potassium chloride 100 mM; DTT 2 mM; EDTA 2 mM; sodium azide 0.03%

sample_conditions_1: ionic strength: 0.27 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	HGa_N	isotropic	sample_conditions_1
2D 1H-13C HMQC Aliphatic	HGa_CN	isotropic	sample_conditions_1
3D HNCO	HGa_CN	isotropic	sample_conditions_1
3D HNCA	HGa_CN	isotropic	sample_conditions_1
3D HNCACB	HGa_CN	isotropic	sample_conditions_1
3D CBCA(CO)NH	HGa_CN	isotropic	sample_conditions_1
3D HN(CO)CA	HGa_CN	isotropic	sample_conditions_1
3D HNHA	HGa_N	isotropic	sample_conditions_1
3D 1H-15N NOESY	HGa_N	isotropic	sample_conditions_1
2D 1H-1H NOESY	HGa_D2O	isotropic	sample_conditions_1
2D 1H-15N HSQC	HGa_15NLeu	isotropic	sample_conditions_1
2D 1H-15N HSQC	HGa_15NVal	isotropic	sample_conditions_1
2D 1H-15N HSQC	HGa_15NIle	isotropic	sample_conditions_1
2D 1H-15N HSQC	HGa_15NPhe_Tyr	isotropic	sample_conditions_1
4D 1H-15N 1H13C NOESY	HGa_CN	isotropic	sample_conditions_1
2D 1H-13C HMQC Aromatic	HGa_CN	isotropic	sample_conditions_1

Software:

xwinnmr v3.5, Bruker Biospin - collection

NMRPipe v1.02, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRDraw v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView v5, Johnson, One Moon Scientific - data analysis

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance II 800 MHz
Bruker Avance II 900 MHz

PDB	2KG4
DBJ	BAD60923 BAG37487 BAG73211
EMBL	CAL38317
GB	AAA35863 AAA72045 AAH11757 AAI03199 AAM88884
REF	NP_001029419 NP_001038064 NP_001248234 NP_001915 XP_002715979
SP	P24522 Q3ZBN6 Q60GI5
TPG	DAA31278
AlphaFold	P24522 Q3ZBN6 Q60GI5