BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	61.4 % (151 of 246)	73.2 % (93 of 127)	40.0 % (40 of 100)	94.7 % (18 of 19)
Backbone	80.4 % (90 of 112)	97.3 % (36 of 37)	64.9 % (37 of 57)	94.4 % (17 of 18)
Sidechain	51.0 % (78 of 153)	63.3 % (57 of 90)	32.3 % (20 of 62)	100.0 % (1 of 1)
Aromatic	20.0 % (2 of 10)	40.0 % (2 of 5)	0.0 % (0 of 5)
Methyl	47.7 % (21 of 44)	77.3 % (17 of 22)	18.2 % (4 of 22)

1. entity 1

FLPIIINLKA LAALAKKILX

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4, Details 1 mM mastoparano-MO, 100 mM [U-98% 2H] SDS-D25, 5 % v/v [U-98% 2H] TMSP-d4, 90 % v/v H2O, 10 % v/v [U-99% 2H] D2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	mastoparano-MO	natural abundance	1 mM
2	SDS-D25	[U-98% 2H]	100 mM
3	TMSP-d4	[U-98% 2H]	5 % v/v
4	H2O	natural abundance	90 % v/v
5	D2O	[U-99% 2H]	10 % v/v

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Calculated from 10 models in PDB: 6DUU, Strand ID: A Detail

Release date

2018-08-02

Citation

Three-Dimensional Structures for mastoparano-L
Alves, E.S.F., Rodrigues, L.V., Liao, L.M.

Related entities 1. PHE-LEU-PRO-ILE-ILE-ILE-ASN-LEU-LYS-ALA-LEU-ALA-ALA-LEU-ALA-LYS-LYS-ILE-LEU, : 1 : 1 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30483_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	OK

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	20	NH2	AMINO GROUP	Assigned chemical shifts

Content subtype: bmr30483_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	182		100.0 (chain: 1, length: 20)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 20, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 127
  - ¹³C chemical shifts: 38
  - ¹⁵N chemical shifts: 17
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	129	93	72.1
¹³C chemical shifts	100	38	38.0
¹⁵N chemical shifts	20	17	85.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	37	36	97.3
¹³C chemical shifts	38	18	47.4
¹⁵N chemical shifts	19	17	89.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	92	57	62.0
¹³C chemical shifts	62	20	32.3
¹⁵N chemical shifts	1	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	22	17	77.3
¹³C chemical shifts	22	4	18.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	5	2	40.0
¹³C chemical shifts	5	0	0.0

Keywords PAM, SDS micelles, TOXIN

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Found 1 Document (0.363 seconds)

BMRB: 30483

Sample

Related entities 1. PHE-LEU-PRO-ILE-ILE-ILE-ASN-LEU-LYS-ALA-LEU-ALA-ALA-LEU-ALA-LYS-LYS-ILE-LEU, : 1 : 1 entities Detail

Experiments performed 4 experiments Detail

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Chemical shift validation 3 contents Detail