BMRB Entry 16998

Name: Solution NMR Structure of Transcription factor NF-E2 subunit&#039;s DNA binding domain from Homo sapiens, Northeast Structural Genomics Consortium
Published: 2010-07-09

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PDB ID: 2kz5
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16998
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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 NF-E2 subunit's DNA binding domain from Homo sapiens, Northeast Structural Genomics Consortium

Deposition date:

2010-06-11

Original release date:

2010-07-09

Authors:

Liu, Gaohua; Janjua, Haleema; Xiao, Rong; Ciccosanti, Colleen; Shastry, Ritu; Acton, Thomas; Everett, John; Montelione, Gaetano

Citation:

Citation: Tong, Sai; Janjua, Haleema; Xiao, Rong; Ciccosanti, Colleen; Shastry, Ritu; Acton, T.; Everett, J.; Montelione, G.. "Solution NMR Structure of Transcription factor NF-E2 subunit's DNA binding domain from Homo sapiens, Northeast Structural Genomics Consortium" To be published ., .-..

Assembly members:

Assembly members:
HR4653B, polymer, 91 residues, 10567.291 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: pET 14-15C

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HR4653B: MGHHHHHHSHMAKPTARGEA GSRDERRALAMKIPFPTDKI VNLPVDDFNELLARYPLTES QLALVRDIRRRGKNKVAAQN YRKRKLETIVQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	286
15N chemical shifts	82
1H chemical shifts	588

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HR4653B	1

Entities:

Entity 1, HR4653B 91 residues - 10567.291 Da.

1

MET

GLY

HIS

SER

HIS

2

MET

ALA

LYS

PRO

THR

ALA

ARG

GLY

GLU

ALA

3

GLY

SER

ARG

ASP

GLU

ARG

ALA

LEU

ALA

4

MET

LYS

ILE

PRO

PHE

PRO

THR

ASP

LYS

ILE

5

VAL

ASN

LEU

PRO

VAL

ASP

PHE

ASN

GLU

6

LEU

ALA

ARG

TYR

PRO

LEU

THR

GLU

SER

7

GLN

LEU

ALA

LEU

VAL

ARG

ASP

ILE

ARG

8

ARG

GLY

LYS

ASN

LYS

VAL

ALA

GLN

ASN

9

TYR

ARG

LYS

ARG

LYS

LEU

GLU

THR

ILE

VAL

10

GLN

Samples:

sample_NC: HR4653B, [U-100% 13C; U-100% 15N], 1.0 mM; H2O 95%; D2O 5%

sample_nc5: HR4653B, [U-10% 13C; U-100% 15N], 1.1 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_NC	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_nc5	isotropic	sample_conditions_1
3D HNCO	sample_NC	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_NC	isotropic	sample_conditions_1
3D HNCACB	sample_NC	isotropic	sample_conditions_1
3D 1H-13C arom NOESY	sample_NC	isotropic	sample_conditions_1
3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY	sample_NC	isotropic	sample_conditions_1
3D C(CO)NH TOCSY	sample_NC	isotropic	sample_conditions_1
2D 1H-15N HSQC 22	sample_NC	isotropic	sample_conditions_1
2D 1H-15N HSQC T1	sample_NC	isotropic	sample_conditions_1
2D 1H-15N HSQC T2	sample_NC	isotropic	sample_conditions_1
2D 1H-15N HSQC 1	sample_nc5	isotropic	sample_conditions_1
2D 1H-15N HSQC 2	sample_nc5	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_nc5	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_NC	isotropic	sample_conditions_1
3D HCCH-COSY	sample_NC	isotropic	sample_conditions_1
HN NOE0	sample_NC	isotropic	sample_conditions_1
HN NOE3	sample_NC	isotropic	sample_conditions_1

Software:

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

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

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

AutoAssign v2.1, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment, data analysis

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

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

TOPSPIN, Bruker Biospin - collection

VNMRJ, Varian - collection

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

SPARKY, Goddard - data analysis

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

PALES, PALES (Zweckstetter, Bax) - geometry optimization

REDCAT, Valafar, Prestegard - geometry optimization

NMR spectrometers:

Bruker Avance 800 MHz
Varian INOVA 600 MHz

PDB	2KZ5
DBJ	BAF83244 BAF83253 BAG36023 BAG73448
EMBL	CAG29280 CAH90396
GB	AAA16118 AAA35612 AAB34115 AAH05044 AAP35952
REF	NP_001014923 NP_001125194 NP_001129495 NP_001172081 NP_001181687
SP	Q16621 Q5EAD3
TPG	DAA30025
AlphaFold	Q16621 Q5EAD3