BMRBj - BMREntryMaster

	Total	¹H
All	98.3 % (176 of 179)	98.3 % (176 of 179)
Backbone	98.4 % (62 of 63)	98.4 % (62 of 63)
Sidechain	98.3 % (114 of 116)	98.3 % (114 of 116)
Aromatic	88.9 % (8 of 9)	88.9 % (8 of 9)
Methyl	93.3 % (14 of 15)	93.3 % (14 of 15)

1. entity 1

AFCNLRRCEL SCRSLGLLGK CIGEECKCVY

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Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM Tamapin mutant DP30, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Tamapin mutant DP30	natural abundance		1.0 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 6D3T, Strand ID: A Detail

Release date

2018-04-26

Citation

Novel Blocker of Onco SK3 Channels Derived from Scorpion Toxin Tamapin and Active against Migration of Cancer Cells
Mayorga-Flores, M., Chantome, A., Melchor-Meneses, C.M., Domingo, I., Titaux-Delgado, G.A., Galindo-Murillo, R., Vandier, C., Del Rio-Portilla, F.
ACS Med. Chem. Lett. (2020), 11, 1627-1633, PubMed 32832033 , DOI 10.1021/acsmedchemlett.0c00300 , Abstract

Related entities 1. Potassium channel toxin alpha-KTx 5.4, : 1 : 1 : 14 : 45 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30454_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	OK

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:3:CYS:SG	1:21:CYS:SG	unknown	unknown	n/a
1:8:CYS:SG	1:26:CYS:SG	unknown	unknown	n/a
1:12:CYS:SG	1:28:CYS:SG	unknown	unknown	n/a

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

None

Non-standard residues

None

Content subtype: bmr30454_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	OK	201		100.0 (chain: 1, length: 30)
1	Chemical shift references	chem_shift_reference_1	OK	2		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 30, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 201
- 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	179	175	97.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	63	62	98.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	116	113	97.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	15	13	86.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	9	8	88.9

Keywords CSalfa/beta, DP30, SK channels, TOXIN, Tamapin mutant

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Found 1 Document (0.544 seconds)

BMRB: 30454

Sample

Related entities 1. Potassium channel toxin alpha-KTx 5.4, : 1 : 1 : 14 : 45 entities Detail

Experiments performed 3 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail