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Found 1 Document (2.319 seconds)

BMRB: 6429

8PP0

Backbone 1H, 15N and 13C chemical shift assignments for human retinoid X receptor ligand-binding domain with and without 9-cis retinoic acid

Authors

Lu, J., Cistola, D.P., Ellen, L.

Assembly

RXRalpha ligand-binding domain dimer

Entity

1. RXRalpha ligand-binding domain dimer (polymer, Thiol state: all free), 240 monomers, 26822.72 × 2 Da Detail

TSSANEDMPV ERILEAELAV EPKTETYVEA NMGLNPSSPN DPVTNICQAA DKQLFTLVEW AKRIPHFSEL PLDDQVILLR AGWNELLIAS FSHRSIAVKD GILLATGLHV HRNSAHSAGV GAIFDRVLTE LVSKMRDMQM DKTELGCLRA IVLFNPDSKG LSNPAEVEAL REKVYASLEA YCKHKYPEQP GRFAKLLLRL PALRSIGLKC LEHLFFFKLI GDTPIDTFLM EMLEAPHQMT

Total weight

53645.44 Da

Max. entity weight

26822.72 Da

Source organism

Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 89.6 %, Completeness: 43.3 %, Completeness (bb): 74.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	43.3 % (1216 of 2807)	24.0 % (350 of 1456)	60.3 % (668 of 1108)	81.5 % (198 of 243)
Backbone	74.7 % (1055 of 1412)	49.1 % (234 of 477)	88.0 % (624 of 709)	87.2 % (197 of 226)
Sidechain	22.2 % (360 of 1624)	11.8 % (116 of 979)	38.7 % (243 of 628)	5.9 % (1 of 17)
Aromatic	7.4 % (14 of 188)	9.6 % (9 of 94)	5.4 % (5 of 92)	0.0 % (0 of 2)
Methyl	19.2 % (58 of 302)	15.9 % (24 of 151)	22.5 % (34 of 151)

1. RXRalpha ligand-binding domain

Show sample condition

Sample

Temperature 298 (±0.1) K, pH 7.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	RXRalpha ligand-binding domain	[U-2H; U-13C; U-15N]		1.0 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹H	DSS	methyl protons	external	direct
¹³C	DSS	methyl carbon	external	indirect
¹⁵N	DSS	nitrogen	external	indirect

Referencing offset: 0.42 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹H	DSS	methyl protons	external	direct
¹³C	DSS	methyl carbon	external	indirect
¹⁵N	DSS	nitrogen	external	indirect

Referencing offset: 0.42 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹H	DSS	methyl protons	external	direct
¹³C	DSS	methyl carbon	external	indirect
¹⁵N	DSS	nitrogen	external	indirect

Referencing offset: -0.05 ppm, Outliers: 1 Detail

Release date

2006-04-16

Citation 1

Analysis of ligand binding and protein dynamics of human retinoid X receptor alpha ligand-binding domain by nuclear magnetic resonance
Li, E., Lu, J., Cistola, D.P.
Biochemistry (2006), 45, 1629-1639, PubMed 16460010 , DOI 10.1021/bi051474j , Abstract

Show more 3 citaions

Citation 2

Crystal structure of the ligand-binding domain of the human nuclear receptor RXR-alpha
Bourguet, W.
Nature (1995), 375, 377-382, PubMed 7760929 , DOI 10.1038/375377a0 , Abstract

Citation 3

Crystal structure of the human RXRalpha ligand-binding domain bound to its natural ligand: 9-cis retinoic acid
Egea, P.F.
EMBO J. (2000), 19, 2592-2601, PubMed 10835357 , DOI 10.1093/emboj/19.11.2592 , Abstract

Citation 4

Ligand-induced stabilization of PPARgamma monitored by NMR spectroscopy: implications for nuclear receptor activation
Johnson, B.A.
J. Mol. Biol. (2000), 298, 187-194, PubMed 10764590 , DOI 10.1006/jmbi.2000.3636 , Abstract

Hide non-primary 3 citaions

Entries sharing articles BMRB: 2, Swiss-Prot: 1 entries Detail

  BMRB: 15219 released on 2008-02-19
    Title Backbone 1H, 15N and 13C chemical shift assingments for human retinoid X receptor ligand-binding domain in complex with 9-cis retinoic acid and a glucocorticoid receptor interacting protein-1 peptide
  BMRB: 6449 released on 2006-04-16
    Title Backbone 1H, 15N and 13C chemical shift assignments for human retinoid X receptor ligand-binding domain with and without 9-cis retinoic acid
  Swiss-Prot: P19793 released on 1991-02-01
    Title RXRA_HUMAN Entity Retinoic acid receptor RXR-alpha

Related entities 1. RXRalpha ligand-binding domain dimer, : 1 : 36 : 54 : 150 entities Detail

Interaction partners 1. RXRalpha ligand-binding domain dimer, : 53 interactors Detail

More details for 53 interactors identified by 35 citations

Experiments performed 8 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr6429_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr6429_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	apo_chem_shift_list	Warning	996		87.9 (chain: 1, length: 240)
1	Chemical shift references	chemical_shift_referencing	OK	3		No information

Assigned chemical shifts

Saveframe: apo_chem_shift_list
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 240, Sequence coverage: 87.9%
- Total number of assignments
  - ¹³C chemical shifts: 612
  - ¹H chemical shifts: 192
  - ¹⁵N chemical shifts: 192
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	1108	612	55.2
¹H chemical shifts	1456	192	13.2
¹⁵N chemical shifts	255	192	75.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	480	418	87.1
¹H chemical shifts	477	192	40.3
¹⁵N chemical shifts	226	192	85.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	628	194	30.9
¹H chemical shifts	979	0	0.0
¹⁵N chemical shifts	29	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	159	20	12.6
¹H chemical shifts	159	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	92	0	0.0
¹H chemical shifts	94	0	0.0
¹⁵N chemical shifts	2	0	0.0

Keywords NMR, X-ray structure

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Found 1 Document (2.319 seconds)

BMRB: 6429

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 2, Swiss-Prot: 1 entries Detail

Related entities 1. RXRalpha ligand-binding domain dimer, : 1 : 36 : 54 : 150 entities Detail

Interaction partners 1. RXRalpha ligand-binding domain dimer, : 53 interactors Detail

Experiments performed 8 experiments Detail

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Chemical shift validation 3 contents Detail