BMRB Entry 5363

Name: 1H, 13C, and 15N Chemical shifts for hERR2 Protein, 1H chemical shifts for DNA
Published: 2010-07-14

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PDB ID: 1lo1
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5363
MolProbity Validation Chart

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

1H, 13C, and 15N Chemical shifts for hERR2 Protein, 1H chemical shifts for DNA

Deposition date:

2002-05-05

Original release date:

2010-07-14

Authors:

Gearhart, Micah; Holmbeck, Signe; Evans, Ronald; Dyson, H.; Wright, Peter

Citation:

Citation: Gearhart, Micah; Holmbeck, Signe; Evans, Ronald; Dyson, H.; Wright, Peter. "Monomeric Complex of Human Orphan Estrogen Related Receptor 2 with DNA: A Pseudo-dimer Interface Mediates Extended Half-site Recognition " J. Mol. Biol. 327, 819-832 (2003).
PubMed: 12654265

Assembly members:

Assembly members:
Estrogen Related Receptor 2, polymer, 98 residues, Formula weight is not available
DNA Strand1, polymer, 13 residues, Formula weight is not available
DNA Strand2, polymer, 13 residues, Formula weight is not available
ZN, 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: pET-24a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Estrogen Related Receptor 2: AIPKRLCLVCGDIASGYHYG VASCEACKAFFKRTIQGNIE YSCPATNECEITKRRRKSCQ ACRFMKALKVGMLKEGVRLD RVRGGRQKYKRRLDSENS
DNA Strand1: GCTCAAGGTCACG
DNA Strand2: CGTGACCTTGAGC

Data sets:

assigned_chemical_shifts

Data type	Count
1H chemical shifts	846
13C chemical shifts	322
15N chemical shifts	98

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	hERR2 protein	1
2	DNA strand 1	2
3	DNA strand 2	3
4	ZINC (II) ION	4

Entities:

Entity 1, hERR2 protein 98 residues - Formula weight is not available

1

ALA

ILE

PRO

LYS

ARG

LEU

CYS

LEU

VAL

CYS

2

GLY

ASP

ILE

ALA

SER

GLY

TYR

HIS

TYR

GLY

3

VAL

ALA

SER

CYS

GLU

ALA

CYS

LYS

ALA

PHE

4

PHE

LYS

ARG

THR

ILE

GLN

GLY

ASN

ILE

GLU

5

TYR

SER

CYS

PRO

ALA

THR

ASN

GLU

CYS

GLU

6

ILE

THR

LYS

ARG

LYS

SER

CYS

GLN

7

ALA

CYS

ARG

PHE

MET

LYS

ALA

LEU

LYS

VAL

8

GLY

MET

LEU

LYS

GLU

GLY

VAL

ARG

LEU

ASP

9

ARG

VAL

ARG

GLY

ARG

GLN

LYS

TYR

LYS

10

ARG

LEU

ASP

SER

GLU

ASN

SER

Entity 2, DNA strand 1 13 residues - Formula weight is not available

1

DG

DC

DT

DC

DA

DG

DT

DC

2

DA

DC

DG

Entity 3, DNA strand 2 13 residues - Formula weight is not available

1

DC

DG

DT

DG

DA

DC

DT

DG

2

DA

DG

DC

Entity 4, ZINC (II) ION - Zn - 65.409 Da.

1

ZN

Samples:

Sample_1: Estrogen Related Receptor 2, [U-13C; U-15N], 0.5 mM; DNA Strand1 0.5 mM; DNA Strand2 0.5 mM; ZINC (II) ION 0.5 mM; K2SO4 20 mM; ZnSO4 50 mM; dithiothreitol (DTT) 2 mM; NaN3 0.001%

Sample_2: Estrogen Related Receptor 2, [U-15N], 0.5 mM; DNA Strand1 0.5 mM; DNA Strand2 0.5 mM; ZINC (II) ION 0.5 mM; K2SO4 20 mM; ZnSO4 50 mM; dithiothreitol (DTT) 2 mM; NaN3 0.001%

Sample_3: Estrogen Related Receptor 2, [U-15N], 0.5 mM; K2SO4 20 mM; ZnSO4 50 mM; dithiothreitol (DTT) 2 mM; NaN3 0.001%

sample_4: DNA Strand1 0.5 mM; DNA Strand2 0.5 mM; K2SO4 20 mM; ZnSO4 50 mM; dithiothreitol (DTT) 2 mM; NaN3 0.001%

cond1: pH: 6.8; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
HNCA	not available	not available	cond1
HNCOCA	not available	not available	cond1
HNCO	not available	not available	cond1
HCACO	not available	not available	cond1
(H)CCH-COSY	not available	not available	cond1
(H)CCH TOCSY	not available	not available	cond1
HNHA	not available	not available	cond1
HNHB	not available	not available	cond1
HA(CA)HB-COSY	not available	not available	cond1
2D [13C,15N ] u2-filtered TOCSY	not available	not available	cond1
2D [13C,15N] u1,u2-filtered NOESY	not available	not available	cond1
3D 15N separated NOESY	not available	not available	cond1
3D 13C-separated NOESY	not available	not available	cond1

Software:

NMRView v4.2 - spectral analysis

NMR spectrometers:

Bruker DRX 600 MHz
Bruker DMX 750 MHz
Bruker DRX 800 MHz

BMRB	4033 4034
PDB	1LO1
DBJ	BAC27656 BAC34898 BAG73125 BAH02305
EMBL	CAA35779 CAA61755 CAG09135 CDQ87849
GB	AAB37687 AAC99409 AAG29619 AAH44858 AAI11278
PIR	B29345
PRF	1402310B
REF	NP_001008516 NP_001152972 NP_001156563 NP_004443 NP_036064
SP	O95718 P11475 Q61539
TPG	DAA24995
AlphaFold	O95718 P11475 Q61539