BMRBj - BMREntryMaster

Found 1 Document (0.42 seconds)

BMRB: 26675

2N8H

Structural basis for the inhibition of voltage-gated sodium channels with conotoxin-muOxi-GVIIJ

Authors

Green, B.R., Chhabra, S., Norton, R.S.

Assembly

GVIIJ SSEA

Entity

1. GVIIJ SSEA (polymer, Thiol state: all disulfide bound), 35 monomers, 3745.270 Da Detail

GWCGDXGATC GKLRLYCCSG FCDCYTKTCK DKSSA

Formula weight

3745.27 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS18:SG
2	disulfide	sing	1:CYS10:SG	1:CYS29:SG
3	disulfide	sing	1:CYS17:SG	1:CYS29:SG

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.1 %, Completeness: 85.2 %, Completeness (bb): 94.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	85.2 % (156 of 183)	85.2 % (156 of 183)
Backbone	94.5 % (69 of 73)	94.5 % (69 of 73)
Sidechain	79.1 % (87 of 110)	79.1 % (87 of 110)
Aromatic	84.2 % (16 of 19)	84.2 % (16 of 19)
Methyl	77.8 % (7 of 9)	77.8 % (7 of 9)

1. GVIIJ SSEA

GWCGDXGATC GKLRLYCCSG FCDCYTKTCK DKSSA

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 3.2

#	Name	Isotope labeling	Concentration
1	GVIIJ_SSEA	natural abundance	0.68 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

Release date

2016-01-31

Citation

Structural Basis for the Inhibition of Voltage-gated Sodium Channels by Conotoxin μO§-GVIIJ
Green, B.R., Gajewiak, J., Chhabra, S., Skalicky, J.J., Zhang, M., Bulaj, G., Olivera, B.M., Yoshikami, D., Norton, R.S.
J. Biol. Chem. (2016), 291, 7205-7220, PubMed 26817840 , DOI 10.1074/jbc.M115.697672 , Abstract

Related entities 1. GVIIJ SSEA, : 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	bmr26675_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	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:3:CYS:SG	1:18:CYS:SG	unknown	unknown	n/a
1:10:CYS:SG	1:29:CYS:SG	unknown	unknown	n/a
1:17:CYS:SG	1:29:CYS:SG	unknown	unknown	n/a

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	6	HYP	4-HYDROXYPROLINE	Assigned chemical shifts

Content subtype: bmr26675_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	183		100.0 (chain: 1, length: 35)
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: 35, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 183
- 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	Atom_ID	CS value (ppm)
27	LYS	HZ1	7.532
27	LYS	HZ2	7.532
27	LYS	HZ3	7.532
30	LYS	HZ1	7.605
30	LYS	HZ2	7.605
30	LYS	HZ3	7.605

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Found 1 Document (0.42 seconds)

BMRB: 26675

Sample

Related entities 1. GVIIJ SSEA, : 1 : 4 entities Detail

Experiments performed 3 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail