BMRBj - BMREntryMaster

Found 1 Document (0.648 seconds)

BMRB: 15435

2JUT

alpha-RgIA, a Novel Conotoxin That Blocks the alpha9alpha10 nAChR

Authors

Feng, Z.

Assembly

RgIA

Entity

1. RgIA (polymer, Thiol state: all disulfide bound), 13 monomers, 1574.835 Da Detail

GCCSDPRCRY RCR

Formula weight

1574.835 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS2:SG	1:CYS8:SG
2	disulfide	sing	1:CYS3:SG	1:CYS12:SG

Source organism

Conus regius

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 85.2 %, Completeness (bb): 80.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.2 % (121 of 142)	98.7 % (77 of 78)	63.5 % (33 of 52)	91.7 % (11 of 12)
Backbone	80.3 % (61 of 76)	96.2 % (25 of 26)	65.8 % (25 of 38)	91.7 % (11 of 12)
Sidechain	92.3 % (72 of 78)	100.0 % (52 of 52)	76.9 % (20 of 26)
Aromatic	50.0 % (4 of 8)	100.0 % (4 of 4)	0.0 % (0 of 4)

1. RgIA

GCCSDPRCRY RCR

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Temperature 298 K, pH 5.0

#	Name	Isotope labeling	Concentration
1	toxin	natural abundance	1.0 (±0.2) mM
2	H2O		95 %
3	D2O		5 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2JUT, Strand ID: A Detail

Release date

2008-03-12

Citation

Alpha-RgIA, a novel conotoxin that blocks the alpha9alpha10 nAChR: structure and identification of key receptor-binding residues
Ellison, M., Feng, Z., Park, A.J., Zhang, X., Olivera, B.M., McIntosh, J., Norton, R.S.
J. Mol. Biol. (2008), 377, 1216-1227, PubMed 18295795 , DOI 10.1016/j.jmb.2008.01.082 , Abstract

Entries sharing articles BMRB: 4 entries Detail

  BMRB: 15367 released on 2008-03-12
    Title RgIA, a Novel Conotoxin that Blocks the nAChR
  BMRB: 15368 released on 2008-03-12
    Title RgIA, a Novel Conotoxin that Blocks the nAChR
  BMRB: 15436 released on 2008-03-12
    Title alpha-RgIA, a Novel Conotoxin That Blocks the alpha9alpha10 nAChR
  BMRB: 15586 released on 2008-03-12
    Title alpha-RgIA, a Novel Conotoxin that Blocks the nAChR

Related entities 1. RgIA, : 1 : 2 : 2 : 6 : 19 entities Detail

Experiments performed 6 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15435_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)
1:2:CYS:SG	1:8:CYS:SG	oxidized, CA 56.0, CB 40.88 ppm	oxidized, CA 56.46, CB 43.27 ppm	n/a
1:3:CYS:SG	1:12:CYS:SG	oxidized, CA 54.8, CB 41.7 ppm	oxidized, CA 54.8, CB 43.07 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr15435_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	122		100.0 (chain: 1, length: 13)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 13, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 78
  - ¹³C chemical shifts: 33
  - ¹⁵N chemical shifts: 11
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- 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)
10	TYR	HH	9.82

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	78	77	98.7
¹³C chemical shifts	52	33	63.5
¹⁵N chemical shifts	16	11	68.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	26	25	96.2
¹³C chemical shifts	26	13	50.0
¹⁵N chemical shifts	12	11	91.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	52	52	100.0
¹³C chemical shifts	26	20	76.9
¹⁵N chemical shifts	4	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	4	4	100.0
¹³C chemical shifts	4	0	0.0

Keywords alpha-conotoxin, nicotinic acetylcholine receptor, NMR, nuclear Overhauser effect

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Found 1 Document (0.648 seconds)

BMRB: 15435

Sample

Entries sharing articles BMRB: 4 entries Detail

Related entities 1. RgIA, : 1 : 2 : 2 : 6 : 19 entities Detail

Experiments performed 6 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail