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Found 1 Document (0.243 seconds)

BMRB: 20004

NMR Solution Structure of Leucine-Enkephlain in DMPC+CHAPS (1:4) bicelles in 90% H2O/10% D2O of pH 6.6 at 298K

Authors

Mukhopadhyay, C., Gayen, A.

Assembly

Leu-enkephalin

Entity

1. Leu-enkephalin (polymer, Thiol state: not present), 5 monomers, 555.6239 Da Detail

YGGFL

Formula weight

555.6239 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 81.8 %, Completeness (bb): 96.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C
All	81.8 % (45 of 55)	80.0 % (24 of 30)	84.0 % (21 of 25)
Backbone	96.0 % (24 of 25)	91.7 % (11 of 12)	100.0 % (13 of 13)
Sidechain	72.7 % (24 of 33)	72.2 % (13 of 18)	73.3 % (11 of 15)
Aromatic	55.6 % (10 of 18)	55.6 % (5 of 9)	55.6 % (5 of 9)
Methyl	100.0 % (4 of 4)	100.0 % (2 of 2)	100.0 % (2 of 2)

1. Leu-Enkephalin

YGGFL

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 6.6, Details Lyophilized powder from Sigma-Aldrich dissolved in isotropic DMPC+CHAPS(1:4) bicelles in 90%H2O/10% D2O (pH 6.6 at 298 K) with peptide:lipid 1:13

#	Name	Isotope labeling	Type	Concentration
1	Leu-Enkephalin	natural abundance		4-5 mM
2	DMPC+CHAPS	natural abundance		4 % w/v

Release date

2008-05-26

Citation

Evidence for effect of GM1 on opioid peptide conformation: NMR study on leucine enkephalin in ganglioside-containing isotropic phospholipid bicelles
Gayen, A., Mukhopadhyay, C.
Langmuir. (2008), 24, 5422-5432, PubMed 18412380 , DOI 10.1021/la704056d , Abstract

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr20004_3.str
Input source #2: Coordindates	bmr20004.coor.cif
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: bmr20004_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chemicalshift_dmpcbicelle	Warning	52		100.0 (chain: 1, length: 5)
1	Chemical shift references	TSP	OK	2		No information

Assigned chemical shifts

Saveframe: chemicalshift_dmpcbicelle
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 5, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 28
  - ¹³C chemical shifts: 24
- Completeness of assignments
  - Entity_assemble_ID: 1
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
1	TYR	CG	127.045
1	TYR	CZ	155.19
4	PHE	CG	136.722

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	30	24	80.0
¹³C chemical shifts	25	21	84.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	12	11	91.7
¹³C chemical shifts	10	10	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	18	13	72.2
¹³C chemical shifts	15	11	73.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	2	2	100.0
¹³C chemical shifts	2	2	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	9	5	55.6
¹³C chemical shifts	9	5	55.6

Keywords peptide

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Found 1 Document (0.243 seconds)

BMRB: 20004

Sample

Experiments performed 4 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail