BMRB Entry 15518

Name: 1H, 15N, 13CO, 13Calpha and 13Cbeta Chemical Shift Assignments of Human Peroxisome Proliferator-Activated Receptor Gamma Ligand-Binding Domain Bound to GW1929
Published: 2008-01-11

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15518

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

1H, 15N, 13CO, 13Calpha and 13Cbeta Chemical Shift Assignments of Human Peroxisome Proliferator-Activated Receptor Gamma Ligand-Binding Domain Bound to GW1929

Deposition date:

2007-10-11

Original release date:

2008-01-11

Authors:

Lu, Jianyun

Citation:

Citation: Lu, Jianyun; Chen, Minghe; Stanley, Susan; Li, Ellen. "Effect of Heterodimer Partner RXRalpha on PPARgamma Activation Function-2 Helix in Solution" Biochem. Biophys. Res. Commun. 365, 42-46 (2008).
PubMed: 17980149

Assembly members:

Assembly members:
Peroxisome_Proliferator-Activated_Receptor_Gamma_Ligand-Binding_Domain, polymer, 279 residues, Formula weight is not available
GW1929, non-polymer, 495.57 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: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Peroxisome_Proliferator-Activated_Receptor_Gamma_Ligand-Binding_Domain: GSHMQLNPESADLRALAKHL YDSYIKSFPLTKAKARAILT GKTTDKSPFVIYDMNSLMMG EDKIKFKHITPLQEQSKEVA IRIFQGCQFRSVEAVQEITE YAKSIPGFVNLDLNDQVTLL KYGVHEIIYTMLASLMNKDG VLISEGQGFMTREFLKSLRK PFGDFMEPKFEFAVKFNALE LDDSDLAIFIAVIILSGDRP GLLNVKPIEDIQDNLLQALE LQLKLNHPESSQLFAKLLQK MTDLRQIVTEHVQLLQVIKK TETDMSLHPLLQEIYKDLY

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	772
15N chemical shifts	244
1H chemical shifts	244

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PPARgamma LBD	1
2	GW1929	2

Entities:

Entity 1, PPARgamma LBD 279 residues - Formula weight is not available

1

GLY

SER

HIS

MET

GLN

LEU

ASN

PRO

GLU

SER

2

ALA

ASP

LEU

ARG

ALA

LEU

ALA

LYS

HIS

LEU

3

TYR

ASP

SER

TYR

ILE

LYS

SER

PHE

PRO

LEU

4

THR

LYS

ALA

LYS

ALA

ARG

ALA

ILE

LEU

THR

5

GLY

LYS

THR

ASP

LYS

SER

PRO

PHE

VAL

6

ILE

TYR

ASP

MET

ASN

SER

LEU

MET

GLY

7

GLU

ASP

LYS

ILE

LYS

PHE

LYS

HIS

ILE

THR

8

PRO

LEU

GLN

GLU

GLN

SER

LYS

GLU

VAL

ALA

9

ILE

ARG

ILE

PHE

GLN

GLY

CYS

GLN

PHE

ARG

10

SER

VAL

GLU

ALA

VAL

GLN

GLU

ILE

THR

GLU

11

TYR

ALA

LYS

SER

ILE

PRO

GLY

PHE

VAL

ASN

12

LEU

ASP

LEU

ASN

ASP

GLN

VAL

THR

LEU

13

LYS

TYR

GLY

VAL

HIS

GLU

ILE

TYR

THR

14

MET

LEU

ALA

SER

LEU

MET

ASN

LYS

ASP

GLY

15

VAL

LEU

ILE

SER

GLU

GLY

GLN

GLY

PHE

MET

16

THR

ARG

GLU

PHE

LEU

LYS

SER

LEU

ARG

LYS

17

PRO

PHE

GLY

ASP

PHE

MET

GLU

PRO

LYS

PHE

18

GLU

PHE

ALA

VAL

LYS

PHE

ASN

ALA

LEU

GLU

19

LEU

ASP

SER

ASP

LEU

ALA

ILE

PHE

ILE

20

ALA

VAL

ILE

LEU

SER

GLY

ASP

ARG

PRO

21

GLY

LEU

ASN

VAL

LYS

PRO

ILE

GLU

ASP

22

ILE

GLN

ASP

ASN

LEU

GLN

ALA

LEU

GLU

23

LEU

GLN

LEU

LYS

LEU

ASN

HIS

PRO

GLU

SER

24

SER

GLN

LEU

PHE

ALA

LYS

LEU

GLN

LYS

25

MET

THR

ASP

LEU

ARG

GLN

ILE

VAL

THR

GLU

26

HIS

VAL

GLN

LEU

GLN

VAL

ILE

LYS

27

THR

GLU

THR

ASP

MET

SER

LEU

HIS

PRO

LEU

28

LEU

GLN

GLU

ILE

TYR

LYS

ASP

LEU

TYR

Entity 2, GW1929 - C30 H29 N3 O4 - 495.57 Da.

1

GW1929

Samples:

sample_1: Peroxisome Proliferator-Activated Receptor Gamma Ligand-Binding Domain, [U-13C; U-15N; U-2H], 1.0 mM; potassium phosphate 20 mM; KCl 50 mM; NaN3 0.05%; EDTA-d16 0.5 mM; b-mercaptoethanol-d6 8 mM; H20 95%; D2O 5%

sample_conditions_1: ionic strength: 0.103 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(COCA)CB	sample_1	isotropic	sample_conditions_1
4D HNCOCA	sample_1	isotropic	sample_conditions_1
4D HNCOi-1CAi	sample_1	isotropic	sample_conditions_1
4D HNCACO	sample_1	isotropic	sample_conditions_1

Software:

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

NMR spectrometers:

Varian INOVA 600 MHz
Varian INOVA 700 MHz

Related Database Links:

BMRB	17975 17976 17977
PDB	1FM6 1FM9 1K74 1KNU 1NYX 1PRG 1RDT 1WM0 1ZEO 1ZGY 2ATH 2F4B 2FVJ 2G0G 2G0H 2GTK 2HFP 2HWQ 2HWR 2I4J 2I4P 2I4Z 2OM9 2P4Y 2POB 2PRG 2Q59 2Q5P 2Q5S 2Q61 2Q6R 2Q6S 2Q8S 2QMV 2VSR 2VST 2VV0 2VV1 2VV2 2VV3 2VV4 2XKW 2YFE 2ZK0 2ZK1 2ZK2 2ZK3 2ZK4 2ZK5 2ZK6 2ZNO 3ADS 3ADT 3ADU 3ADV 3ADW 3ADX 3AN3 3AN4 3B0Q 3B0R 3B1M 3B3K 3BC5 3CDP 3CDS 3CS8 3CWD 3D6D 3DZU 3DZY 3E00 3ET0 3ET3 3FEJ 3FUR 3G9E 3GBK 3H0A 3HO0 3HOD 3IA6 3K8S 3KMG 3LMP 3NOA 3OSI 3OSW 3PBA 3PO9 3PRG 3QT0 3R5N 3R8A 3R8I 3S9S 3SZ1 3T03 3TY0 3U9Q 3V9T 3V9V 3V9Y 3VJH 3VJI 3VN2 3VSO 3VSP 3WJ4 3WJ5 3WMH 3X1H 3X1I 4A4V 4A4W 4CI5 4E4K 4E4Q 4EM9 4EMA 4F9M 4FGY 4HEE 4JAZ 4JL4 4L96 4L98 4OJ4 4PRG 4PVU 4PWL 4R2U 4R6S 4XLD 4XTA 4XUM 4Y29
DBJ	BAA18949 BAA23354 BAA32540 BAA36485 BAD20642
EMBL	CAA07224 CAA07225 CAA62152 CAA62153 CAA73032
GB	AAA19971 AAA62110 AAA62277 AAA80314 AAB04028
PIR	JE0279
REF	NP_001019803 NP_001028032 NP_001075617 NP_001094391 NP_001106647
SP	O18924 O18971 O19052 O62807 O88275
TPG	DAA16769
AlphaFold	O18924 O18971 O19052 O62807 O88275

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks