BMRBj - BMREntryMaster

	Total	¹H
All	84.7 % (222 of 262)	84.7 % (222 of 262)
Backbone	89.5 % (85 of 95)	89.5 % (85 of 95)
Sidechain	82.0 % (137 of 167)	82.0 % (137 of 167)
Aromatic	92.0 % (23 of 25)	92.0 % (23 of 25)
Methyl	94.1 % (16 of 17)	94.1 % (16 of 17)

1. Mu-hexatoxin-Mg2a

GGCIKWNHSC QTTTLKCCGK CVVCYCHTPW GTNCRCDRTR LFCTED

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 297 (±0.1) K, pH 6.5, Details 1 mM NA- Magi3, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Magi3	natural abundance		1 (±0.1) mM

Protein Blocks Logo

Calculated from 12 models in PDB: 6AX2, Strand ID: A Detail

Release date

2017-09-10

Citation

Successful refolding and NMR structure of rMagi3: A disulfide-rich insecticidal spider toxin
Titaux-Delgado, G.A., Carrillo, E., Mendoza, A., Martinez-Mayorga, M., Escobedo-Gonzalez, F.C., Cano-Sanchez, P., Lopez-Vera, E., Corzo, G., del Rio Portilla, F.
Protein Sci. (2018), 27, 692-701, PubMed 29247580 , DOI 10.1002/pro.3363 , Abstract

Related entities 1. Mu-hexatoxin-Mg2a, : 1 : 1 : 7 entities Detail

Experiments performed 7 experiments Detail

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Dihedral angle restraints	combined_30339_6ax2.nef
Input source #2: Coordindates	6ax2.cif
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	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
A:3:CYS:SG	A:18:CYS:SG	unknown	unknown	2.039
A:10:CYS:SG	A:24:CYS:SG	unknown	unknown	2.036
A:17:CYS:SG	A:36:CYS:SG	unknown	unknown	2.032
A:21:CYS:SG	A:43:CYS:SG	unknown	unknown	2.04
A:26:CYS:SG	A:34:CYS:SG	unknown	unknown	2.039

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

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40------
GGCIKWNHSCQTTTLKCCGKCVVCYCHTPWGTNCRCDRTRLFCTED
||||||||||||||||||||||||||||||||||||||||||||||
GGCIKWNHSCQTTTLKCCGKCVVCYCHTPWGTNCRCDRTRLFCTED

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	46	0	0	100.0

Content subtype: combined_30339_6ax2.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	5		No information
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	222		93.5 (chain: A, length: 46)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_2	OK	420 (420)	.	97.8 (chain: A, length: 46)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 46, Sequence coverage: 93.5%
- Total number of assignments
  - ¹H chemical shifts: 222
- Completeness of assignments
  - Entity_assemble_ID: A
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	262	222	84.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	95	85	89.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	167	137	82.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	17	16	94.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	25	23	92.0

Covalent bonds

Saveframe: assembly
- Status: OK

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 46, Sequence coverage: 97.8%
- Total number of restraints: 420
- Total number of restraints per polymer type: 420
- Weight of restraints: 1.0 (420)
- Potential type of restraints: square-well-parabolic (420)
- Plot of Phi-Psi angle restraints
- Plot of Chi1-Chi2 angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords Refolding, TOXIN, insecticidal peptide, spider toxin

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.638 seconds)

BMRB: 30339

Sample

Related entities 1. Mu-hexatoxin-Mg2a, : 1 : 1 : 7 entities Detail

Experiments performed 7 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 3 contents Detail