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1H, 13C, and 15N Chemical shifts for hERR2 Protein, 1H chemical shifts for DNA
Authors
Gearhart, M.D., Holmbeck, S.M.A., Evans, R.M., Dyson, H.JANE., Wright, P.E.
Assembly
hERR2-DNA complex
Entity
1. Estrogen Related Receptor 2 (polymer, Thiol state: not reported), 98 monomers, 11124.92 Da Detail

AIPKRLCLVC GDIASGYHYG VASCEACKAF FKRTIQGNIE YSCPATNECE ITKRRRKSCQ ACRFMKALKV GMLKEGVRLD RVRGGRQKYK RRLDSENS


2. DNA Strand1 (polymer, Thiol state: not present), 13 monomers, 4039.571 Da Detail

GCTCAAGGTC ACG


3. DNA Strand2 (polymer, Thiol state: not present), 13 monomers, 4030.557 Da Detail

CGTGACCTTG AGC


4. ZN (non-polymer), 65.409 Da
Total weight
19260.457 Da
Max. entity weight
11124.92 Da
Source organism
Homo sapiens
Exptl. method
NMR
Refine. method
distance geometry
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 78.2 %, Completeness: 71.5 %, Completeness (bb): 62.9 % Detail

Polymer type: polypeptide(L) polydeoxyribonucleotide

Total1H13C15N
All71.5 % (1002 of 1402)66.3 % (573 of 864)76.4 % (333 of 436)94.1 % (96 of 102)
Backbone62.9 % (482 of 766)50.8 % (195 of 384)68.9 % (197 of 286)93.8 % (90 of 96)
Sidechain83.5 % (606 of 726)78.8 % (378 of 480)92.5 % (222 of 240)100.0 % (6 of 6)
Aromatic50.0 % (59 of 118)36.5 % (31 of 85)84.8 % (28 of 33)
Methyl92.3 % (84 of 91)87.5 % (42 of 48)97.7 % (42 of 43)

1. Estrogen Related Receptor 2

AIPKRLCLVC GDIASGYHYG VASCEACKAF FKRTIQGNIE YSCPATNECE ITKRRRKSCQ ACRFMKALKV GMLKEGVRLD RVRGGRQKYK RRLDSENS

2. DNA Strand1

GCTCAAGGTC ACG

3. DNA Strand2

CGTGACCTTG AGC

Sample #1

Temperature 310 (±1) K, pH 6.8 (±0.1)


#NameIsotope labelingTypeConcentration
1Estrogen Related Receptor 2[U-13C; U-15N]0.5 mM
2DNA Strand10.5 mM
3DNA Strand20.5 mM
4ZINC (II) ION0.5 mM
5K2SO420 mM
6ZnSO450 mM
7dithiothreitol (DTT)2 mM
8NaN30.001 %
Sample #2

Temperature 310 (±1) K, pH 6.8 (±0.1)


#NameIsotope labelingTypeConcentration
9Estrogen Related Receptor 2[U-15N]0.5 mM
10DNA Strand10.5 mM
11DNA Strand20.5 mM
12ZINC (II) ION0.5 mM
13K2SO420 mM
14ZnSO450 mM
15dithiothreitol (DTT)2 mM
16NaN30.001 %

Chem. Shift Complete2
Sequence coverage: 36.3 %, Completeness: 47.9 %, Completeness (bb): 45.4 % Detail

Polymer type: polypeptide(L) polydeoxyribonucleotide

Total1H13C15N
All47.9 % (1343 of 2804)45.7 % (790 of 1728)49.3 % (430 of 872)60.3 % (123 of 204)
Backbone45.4 % (695 of 1532)40.0 % (307 of 768)47.4 % (271 of 572)60.9 % (117 of 192)
Sidechain52.2 % (758 of 1452)50.3 % (483 of 960)56.0 % (269 of 480)50.0 % (6 of 12)
Aromatic42.8 % (101 of 236)37.6 % (64 of 170)56.1 % (37 of 66)
Methyl53.3 % (97 of 182)51.0 % (49 of 96)55.8 % (48 of 86)

1. Estrogen Related Receptor 2

AIPKRLCLVC GDIASGYHYG VASCEACKAF FKRTIQGNIE YSCPATNECE ITKRRRKSCQ ACRFMKALKV GMLKEGVRLD RVRGGRQKYK RRLDSENS

2. DNA Strand1

GCTCAAGGTC ACG

3. DNA Strand2

CGTGACCTTG AGC

Sample #1

Temperature 310 (±1) K, pH 6.8 (±0.1)


#NameIsotope labelingTypeConcentration
1Estrogen Related Receptor 2[U-13C; U-15N]0.5 mM
2DNA Strand10.5 mM
3DNA Strand20.5 mM
4ZINC (II) ION0.5 mM
5K2SO420 mM
6ZnSO450 mM
7dithiothreitol (DTT)2 mM
8NaN30.001 %
Sample #2

Temperature 310 (±1) K, pH 6.8 (±0.1)


#NameIsotope labelingTypeConcentration
9Estrogen Related Receptor 2[U-15N]0.5 mM
10DNA Strand10.5 mM
11DNA Strand20.5 mM
12ZINC (II) ION0.5 mM
13K2SO420 mM
14ZnSO450 mM
15dithiothreitol (DTT)2 mM
16NaN30.001 %

Chem. Shift Complete3
Sequence coverage: 25.0 %, Completeness: 37.1 %, Completeness (bb): 36.2 % Detail

Polymer type: polypeptide(L) polydeoxyribonucleotide

Total1H13C15N
All37.1 % (1562 of 4206)36.5 % (945 of 2592)36.5 % (478 of 1308)45.4 % (139 of 306)
Backbone36.2 % (833 of 2298)34.2 % (394 of 1152)35.8 % (307 of 858)45.8 % (132 of 288)
Sidechain39.1 % (852 of 2178)38.3 % (551 of 1440)40.8 % (294 of 720)38.9 % (7 of 18)
Aromatic35.6 % (126 of 354)34.9 % (89 of 255)37.4 % (37 of 99)
Methyl43.2 % (118 of 273)43.1 % (62 of 144)43.4 % (56 of 129)

1. Estrogen Related Receptor 2

AIPKRLCLVC GDIASGYHYG VASCEACKAF FKRTIQGNIE YSCPATNECE ITKRRRKSCQ ACRFMKALKV GMLKEGVRLD RVRGGRQKYK RRLDSENS

2. DNA Strand1

GCTCAAGGTC ACG

3. DNA Strand2

CGTGACCTTG AGC

Sample #1

Temperature 310 (±1) K, pH 6.8 (±0.1)


#NameIsotope labelingTypeConcentration
1Estrogen Related Receptor 2[U-13C; U-15N]0.5 mM
2DNA Strand10.5 mM
3DNA Strand20.5 mM
4ZINC (II) ION0.5 mM
5K2SO420 mM
6ZnSO450 mM
7dithiothreitol (DTT)2 mM
8NaN30.001 %
Sample #2

Temperature 310 (±1) K, pH 6.8 (±0.1)


#NameIsotope labelingTypeConcentration
9Estrogen Related Receptor 2[U-15N]0.5 mM
10DNA Strand10.5 mM
11DNA Strand20.5 mM
12ZINC (II) ION0.5 mM
13K2SO420 mM
14ZnSO450 mM
15dithiothreitol (DTT)2 mM
16NaN30.001 %

LACS Plot; CA
Referencing offset: 2.04 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: 2.04 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: 0.03 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 1LO1, Strand ID: A Detail


Release date
2003-04-09
Citation
Monomeric complex of human orphan estrogen related receptor-2 with DNA: a pseudo-dimer interface mediates extended half-site recognition
Gearhart, M.D., Holmbeck, S.M.A., Evans, R.M., Dyson, H.JANE., Wright, P.E.
J. Mol. Biol. (2003), 327, 819-832, PubMed 12654265 , DOI 10.1016/s0022-2836(03)00183-9 ,
Related entities 1. Estrogen Related Receptor 2, : 1 : 2 : 217 entities Detail
Experiments performed 13 experiments Detail
nullKeywords ERR2, Hormone Nuclear Receptor