BMRBj - BMREntryMaster

Found 1 Document (0.486 seconds)

BMRB: 16182

2KYA

The solution conformation of the leader sequence of the prepropeptide for the microcin-like patellamides

Authors

Jaspars, M., Wright, S.H., Houssen, W.E., Kelly, S.M., Kalverda, A.P.

Assembly

PatE prepropeptide

Entity

1. PatE prepropeptide (polymer, Thiol state: not present), 34 monomers, 3705.241 Da Detail

MNKKNILPQQ GQPVIRLTAG QLSSQLAELS EEAX

Formula weight

3705.241 Da

Source organism

Prochloron didemni

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.1 %, Completeness: 96.6 %, Completeness (bb): 98.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	96.6 % (198 of 205)	96.6 % (198 of 205)
Backbone	98.5 % (65 of 66)	98.5 % (65 of 66)
Sidechain	95.7 % (133 of 139)	95.7 % (133 of 139)
Methyl	90.0 % (18 of 20)	90.0 % (18 of 20)

1. Leader peptide

MNKKNILPQQ GQPVIRLTAG QLSSQLAELS EEAX

Show sample condition

Sample

Solvent system trifluoroethanol/water, Pressure 1 atm, Temperature 298 K, pH 5.7

#	Name	Isotope labeling	Concentration
1	entity	natural abundance	1.0 mM
2	H2O	natural abundance	50 %
3	TFE	[U-99% 2H]	50 %
4	disodium hydrogen phosphate	natural abundance	5 mM
5	sodium dihydrogen phosphate	natural abundance	5 mM
6	sodium chloride	natural abundance	50 mM

Release date

2009-02-22

Citation

Solution structure of the leader sequence of the patellamide precursor peptide, PatE1-34
Houssen, W.E., Wright, S.H., Kalverda, A.P., Thompson, G.S., Kelly, S.M., Jaspars, M.
Chembiochem. (2010), 11, 1867-1873, PubMed 20715266 , DOI 10.1002/cbic.201000305 , Abstract

Related entities 1. PatE prepropeptide, : 1 : 4 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr16182_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

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
1	34	NLW	L-leucinamide	Assigned chemical shifts

Content subtype: bmr16182_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	255		100.0 (chain: 1, length: 34)
1	Chemical shift references	chemical_shift_reference_1	OK	1		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 34, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 255
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID
34	NLW

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
3	LYS	HZ1	7.55
3	LYS	HZ2	7.55
3	LYS	HZ3	7.55
4	LYS	HZ1	7.55
4	LYS	HZ2	7.55
4	LYS	HZ3	7.55
16	ARG	HH11	6.51
16	ARG	HH12	6.51
16	ARG	HH21	6.51
16	ARG	HH22	6.51

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	205	198	96.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	66	65	98.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	139	133	95.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	18	85.7

Keywords Lissoclinum patella, NRPS, Prochloron didemni, biosynthesis, lissoclinamide, microcin, non-ribosomal peptide synthetase, patE leader, patellamide, microcin-like, pate leader sequence

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Found 1 Document (0.486 seconds)

BMRB: 16182

Sample

Related entities 1. PatE prepropeptide, : 1 : 4 entities Detail

Experiments performed 3 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail