BMRB Entry 19312

Name: Solution NMR Structure of Transcription Factor GATA-4 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR4783B
Published: 2013-07-08

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PDB ID: 2m9w
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19312
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution NMR Structure of Transcription Factor GATA-4 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR4783B

Deposition date:

2013-06-20

Original release date:

2013-07-08

Authors:

Xu, Xianzhong; Eletsky, Alexander; Lee, Dan; Kohn, Eitan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Szyperski, Thomas

Citation:

Citation: Xu, Xianzhong; Eletsky, Alexander; Lee, Dan; Kohn, Eitan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Szyperski, Thomas. "Solution NMR Structure of a Transcription Factor GATA-4 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR4783B" To be published ., .-..

Assembly members:

Assembly members:
HR4783B, polymer, 63 residues, 7120.694 Da.
ZINC ION, non-polymer, 65.409 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: pET15Nano6HT_NESG

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HR4783B: SHMSASRRVGLSCANCQTTT TTLWRRNAEGEPVCNACGLY MKLHGVPRPLAMRKEGIQTR KRK

Data sets:

assigned_chemical_shifts
- hr4783b.str
spectral_peak_list

Data type	Count
13C chemical shifts	253
15N chemical shifts	62
1H chemical shifts	395

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HR4783B	1
2	ZINC ION	2

Entities:

Entity 1, HR4783B 63 residues - 7120.694 Da.

Residues 1-3 represent the remained purification His tag after cleavage.

1

SER

HIS

MET

SER

ALA

SER

ARG

VAL

GLY

2

LEU

SER

CYS

ALA

ASN

CYS

GLN

THR

3

THR

LEU

TRP

ARG

ASN

ALA

GLU

GLY

4

GLU

PRO

VAL

CYS

ASN

ALA

CYS

GLY

LEU

TYR

5

MET

LYS

LEU

HIS

GLY

VAL

PRO

ARG

PRO

LEU

6

ALA

MET

ARG

LYS

GLU

GLY

ILE

GLN

THR

ARG

7

LYS

ARG

LYS

Entity 2, ZINC ION - Zn - 65.409 Da.

1

ZN

Samples:

hr4783b.009: HR4783B.009, [U-100% 13C; U-100% 15N], 0.378 mM; sodium chloride 100 mM; DTT 5 mM; Tris-HCl 10 mM; DSS 50 uM; sodium azide 0..02%; ZINC ION 50 uM; H2O 90%; D2O 10%

hr4783b.005: HR4783B.009, [U-5% 13C; U-100% 15N], 0.156 mM; sodium chloride 100 mM; DTT 5 mM; Tris-HCl 10 mM; DSS 50 uM; sodium azide 0..02%; ZINC ION 50 uM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	hr4783b.009	isotropic	sample_conditions_1
2D CT 1H-13C HSQC ali	hr4783b.009	isotropic	sample_conditions_1
3D HNCO	hr4783b.009	isotropic	sample_conditions_1
3D CBCA(CO)NH	hr4783b.009	isotropic	sample_conditions_1
3D HNCACB	hr4783b.009	isotropic	sample_conditions_1
2D CT 1H-13C HSQC aro	hr4783b.009	isotropic	sample_conditions_1
3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY	hr4783b.009	isotropic	sample_conditions_1
3D CCH-TOCSY	hr4783b.009	isotropic	sample_conditions_1
3D HBHA(CO)NH	hr4783b.009	isotropic	sample_conditions_1
2D 1H-15N HSQC_His	hr4783b.009	isotropic	sample_conditions_1
2D 1H-15N HSQC_wide	hr4783b.009	isotropic	sample_conditions_1
3D (H)CCH-COSY ali	hr4783b.009	isotropic	sample_conditions_1
2D 1H-13C HSQC_methyl	hr4783b.005	isotropic	sample_conditions_1

Software:

CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - refinemen,structure solution,geometry optimization

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement,geometry optimization,structure solution

AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis,refinement

AutoAssign v2.3.1, Zimmerman, Moseley, Kulikowski and Montelione - data analysis,chemical shift assignment

XEASY, Bartels et al. - data analysis,peak picking,chemical shift assignment

VNMRJ v2.3.1, Varian - collection

TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization

PSVS v1.4, Bhattacharya, Montelione - structure validation

PROSA, Guntert - data analysis

CSI, (CSI)-Wishart and Sykes - data analysis

CARA v1.8.4, (CARA)-Keller and Wuthrich - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

Varian INOVA 750 MHz

PDB	2M9W
GB	ABG02399 ABM67327 AGC95106 EHH28277 EHH63983
REF	XP_005337311 XP_012962956